Learning universal representations from electroencephalogram (EEG) signals is a cutting-edge approach in the field of neuroinformatics and brain-computer interfaces (BCIs). Conventionally, EEG is treated as a multivariate temporal signal, where time- or frequency-domain features are extracted for representation learning. This paper investigates a simple yet effective EEG representation, i.e., microstates. Microstates represent the building blocks of brain activity patterns at a microscopic time scale. We build a universal microstate tokenizer from a large medical EEG dataset by clustering continuous EEG signals into sequences of discrete microstates. The microstate tokenizer is then adopted universally across a series of downstream tasks, including sleep staging, emotion recognition, and motor imagery classification. Experimental results show that EEG representation learning with microstates outperforms traditional time-domain and frequency-domain features under different models and across different tasks. Further analysis shows that microstates offer greater interpretability and scalability, thereby opening up applications in both cognitive neuroscience and clinical research.

Advanced image editing software enables easy creation of highly convincing image manipulations, which has been made even more accessible in recent years due to advances in generative AI. Manipulated images, while often harmless, could spread misinformation, create false narratives, and influence people's opinions on important issues. Despite this growing threat, there is limited research on detecting advanced manipulations across different visual domains. Thus, we introduce Analysis Under Domain-shifts, qualIty, Type, and Size (AUDITS), a comprehensive benchmark designed for studying axes of analysis in image manipulation detection. AUDITS comprises over 530K images from two distinct sources (user and news photos). We curate our dataset to support analysis across multiple axes using recent diffusion-based inpaintings, spanning a diverse range of manipulation types and sizes. We conduct experiments under different types of domain shift to evaluate robustness of existing image manipulation detection methods. Our goal is to drive further research in this area by offering new insights that would help develop more reliable and generalizable image manipulation detection methods.

Flash floods in Bangladesh's haor wetlands show up with almost no warning. They wreck the annual boro rice harvest. Current setups, built for riverine floods, miss backwater dynamics entirely. These basins are flat. Water does not behave like it does on the Brahmaputra. We built HaorFloodAlert, a deseasonalized machine learning ensemble that forecasts 72-hour flood probability for the Sunamganj Haor (approximately 8,000 km2). Temperature was acting as a seasonal cheat code - it inflated accuracy by 6.9 pp just because floods happen in warm months. We caught that. We also built an upstream Barak River Sentinel-1 SAR proxy from Silchar, Assam, giving about 36 hours of lead time. Otsu-thresholded SAR change detection validates at 84-91 percent spatial match. The operational ensemble (RF 0.5625 + XGBoost 0.4375) hits 89.6 percent LOOCV accuracy, 87.5 percent recall, and 0.943 AUC-ROC on 77 real Sentinel-1 events. A three-tier alert pipeline and a BRRI-calibrated boro rice damage estimator are included.

Non-destructive testing of aerospace SiC/SiC composites via X-ray computed tomography (XCT) relies on expert visual assessment, with current workflows offering limited traceability for accept/reject decisions. Deep convolutional networks can automate defect detection, yet their black-box nature conflicts with the transparency that industrial inspection practice demands. To close this gap, we introduce p-ResNet-50, a convolutional framework extended with a prototype layer that couples high detection accuracy with case-based explanations. Six learned prototypes are explicitly aligned with expert-defined semantic categories-healthy matrix, matrix--air interfaces, pores, line-like defects, and mixed morphologies-so that every classification is traceable to a physically meaningful reference. Two novel regularisation terms, anchor-based and medoid-based, tether prototypes to expert-selected patches and prevent prototype collapse, addressing a known limitation of prototype networks. Latent-space analysis via UMAP delineates semantically coherent sub-domains and maps zones of uncertainty where misclassifications concentrate, giving inspectors an explicit picture of where the model is-and is not-reliable. The framework is validated on an XCT patch dataset of approximately 12,000 patches extracted from four defect-rich SiC/SiC laboratory specimens. Taking a black-box ResNet-50 as a baseline (ROC-AUC = 0.991), the prototype extension achieves comparable performance (accuracy 0.957 vs. 0.959; ROC-AUC 0.994 vs. 0.993) while trading a slight reduction in sensitivity for higher precision and specificity. Each decision is backed by representative evidence patches, and the model explicitly flags its uncertainty regions. Beyond defect mapping, the framework establishes a reusable methodology for embedding domain-expert knowledge into prototype networks, applicable to other XCT inspection scenarios requiring traceable, auditable decisions.

Music streaming fraud, where bad actors artificially inflate stream counts to manipulate chart rankings and royalty payments, poses a significant threat to streaming services and legitimate content creators. Traditional fraud detection approaches struggle with a critical challenge: many legitimate edge cases, including super-fans and sleep-music sessions, exhibit activity patterns that closely mimic those of coordinated fraud. We present SAGE, a novel counterfactual-aware negative harvesting approach that combines SimHash-based stratified sampling with a modular gating ensemble for confident negative identification from unlabeled data. Our ensemble architecture employs pluggable statistical gates (currently instantiated with Mahalanobis distance and k-NN density) with configurable voting thresholds enabling adaptive precision-recall trade-offs. This addresses the representation bias problem in Positive-Unlabeled learning by ensuring comprehensive coverage of rare behavioral cohorts through floor-constrained sampling. Evaluation demonstrates strong precision and recall on held-out data. The approach generalizes across fraud detection domains, achieving strong performance on both customer-level and artist-level fraud without modification to the core methodology.

The proliferation of generative artificial intelligence has given rise to an interactive learning environment, where model parameters are continuously updated using not only data generated by natural processes, but also synthetic outputs produced by other models. This paradigm introduces two major challenges: (1) training data are no longer drawn exclusively from the target population, undermining a core assumption of classical statistical learning, and (2) model training processes become inherently correlated, as models interact with one another through repeated exposure to each other's synthetic outputs in a potentially complex manner. Establishing reliable statistical inference in such structured interactive learning environments therefore remains an important open problem. In particular, there is growing concern about model collapse, a phenomenon in which the performance of generative models progressively degrades as they are trained on synthetic data produced by earlier model generations. Prior work on model collapse primarily focuses on a single model trained on its own output, failing to capture model performance in multi-model interactive settings. In this work, we fill this gap by investigating the performance of generative models in an interactive learning environment with general interaction patterns. In particular, we formalize model interactions using directed graphs and show that the occurrence of model collapse depends critically on the topology of the interaction graph. We further derive an explicit necessary and sufficient condition characterizing when model collapse occurs, and establish finite-sample results for linear regression and asymptotic guarantees for general M-estimators. We support our theoretical findings through extensive numerical experiments.

Bayesian optimization (BO) selects evaluation points for expensive black-box objectives using Gaussian process (GP) predictive distributions. Kernel choice and hyperparameter selection can lead to miscalibrated predictive distributions and an inappropriate exploration-exploitation trade-off. For minimization, sampling criteria such as expected improvement (EI) depend on the predictive distribution below the current best value, so lower-tail miscalibration directly affects the sampling decision. This article studies goal-oriented calibration of GP predictive distributions below a low threshold $t$ in the noiseless setting, for standard GP models with hyperparameters selected by maximum likelihood. A framework for predictive reliability below $t$ is introduced, based on two notions of spatial calibration: occurrence calibration over the design space and thresholded $μ$-calibration on sublevel sets of the form $\{x\in\mathbb{X}, f(x)\le t\}$. Building on this framework, we propose tcGP, a post-hoc method that calibrates GP predictive distributions below~$t$, and we show that the resulting EI-based global optimization algorithm remains dense in the design space. Experiments on standard benchmarks show improved lower-tail calibration and BO performance relative to standard GP models and globally calibrated GP models.

Learning generalizable trajectory representations from raw GPS traces remains difficult because the data is continuous, noisy, and irregularly sampled. Spatial tokenization is also challenging: fine grids yield sparse cells with weak embeddings, while coarse grids merge heterogeneous movement patterns into the same token. We present TrajTok, a trajectory encoder with a simple pretraining recipe for transferable trajectory embeddings. TrajTok first learns a multi-resolution hexagonal cell partition from the spatial distribution of GPS points, converting noisy GPS sequences into discrete cell tokens. To capture both geometry and kinematics, it uses a factorized transformer encoder with early per-modality self-attention blocks, cross-attention fusion layers, and spatiotemporal rotary position embeddings, ST-RoPE, to encode where and when each token occurs. TrajTok is pretrained with masked-token modeling that recovers both geometric structure and kinematic patterns from partial trajectory observations. On the Porto dataset, a frozen TrajTok encoder with lightweight task adapters achieves strong performance across trajectory similarity search, classification, estimated time of arrival, and full travel-time regression, outperforming multiple task-specific methods. The same frozen encoder supports both geometry-dominated and kinematics-dominated tasks, suggesting that TrajTok learns transferable trajectory structure rather than task-specific shortcuts. These results indicate that learned multi-resolution spatial tokenization combined with masked-token pretraining is a promising direction for general-purpose trajectory foundation models.

Distributed acoustic sensing (DAS) systems generate continuous, ultra-high-channel-count data streams at rates that exceed the capabilities of conventional batch-oriented analysis frameworks. As a result, essential tasks such as interactive exploration of long-duration recordings, scalable event annotation, and real-time algorithm-in-the-loop monitoring remain inadequately supported by workflows built around manually selected data segments and offline processing. This paper presents FiLark (Fiber Lark), a Python framework that applies a \emph{streaming-first} principle uniformly across data access, signal processing, visualization and monitoring for DAS. Instead of operating on manually selected data segments, FiLark presents any DAS sources-including continuous multi-file recordings-as a unified stream and builds all system components around that abstraction. An OpenGL-based ring-buffer renderer enables interactive browsing and visualization of arbitrarily long recordings with constant memory usage. An integrated annotation interface supports event labeling directly within continuous data streams, facilitating the creation of reproducible machine-learning-ready labeled datasets without offline preprocessing. The signal processing library includes temporal, spatial, spectral, and decomposition-based operators, with both CPU implementations and GPU-accelerated variants via PyTorch, alongside stateful chunked execution that preserves processing continuity and application semantics across segment boundaries. A standardized monitor interface further integrates streaming detectors and learning-based models into the visualization workflow. By sharing a common streaming abstraction across all layers, FiLark allows processing configurations and workflows developed interactively to transfer directly to scalable production pipelines without modification.

Artificial vision models are often evaluated against the human visual cortex by measuring how accurately their internal representations predict brain responses. However, prediction accuracy alone does not indicate which dimensions of the target brain's response space are recovered. Here, we introduce a unified framework for evaluating both model-brain and brain-brain alignment by identifying the response dimensions recovered by prediction. Using repeated fMRI measurements, we first identify target-brain response dimensions that can be reproducibly predicted across independent trial splits. We then predict target-brain responses from either another subject's brain responses or a vision model's internal representations, and quantify how strongly each of these reproducible response dimensions is recovered. Applying this framework to a subset of the Natural Scenes Dataset, in which eight subjects viewed the same natural images during fMRI, we find that the early-to-intermediate visual-cortex responses contain a low-dimensional set of reproducible dimensions. Brain-to-brain comparisons identify which of these dimensions are consistently recoverable from other subjects' brains, providing a diagnostic human reference rather than only a scalar benchmark. In some cases, pretrained and randomly initialized models achieve similar prediction accuracy while showing distinct recovery profiles across these response dimensions. These results show that prediction accuracy alone can mask model-brain mismatches. By making explicit which reproducible brain response dimensions are recovered by prediction, our framework provides a more diagnostic evaluation of alignment between artificial vision models and the human visual cortex.

Squared Wasserstein distance is a frequently used tool to measure discrepancy between probability distributions. This distance is typically computed between empirical measures of size $n$ from two underlying random samples. Unfortunately, even in lower dimensional Euclidean space problems $\left( d \in \{2,3\} \right)$, algorithms for Wasserstein distance computation with approximate or exact precision guarantees scale poorly in the runtime as a function of $n$ and the desired precision. In response, we consider the computational-statistical runtime, where the goal is to estimate from samples the Wasserstein distance between potentially smooth measures up to $ε$-additive error in expectation with respect to the sampling; we allow $O(1)$ computational cost for collecting a sample. Towards this, we develop a Sample-Sketch-Solve paradigm where we introduce a regular cartesian grid sketch of the samples. We show that (especially under $α$-Hölder smooth distributions) this can compress the data without increasing asymptotic error, and also regularizes the structure which enables faster exact algorithms. Ultimately, we approximate $W_2^2(P,Q)$ within $ε$ error in $ε^{-\max(2,\frac{d+1+o(1)}{1+α})}$ time for $0 < α< 1$ Hölder smooth distributions $P,Q$ on $(0,1)^{d}$; an optimal $Θ(ε^{-2})$ for $α> 1/2$ when $d=2$ and nearly optimal as $α\to 1$ when $d = 3$.

While conventional (k=1) discrete-time barrier certificate conditions impose strict safety constraints by requiring the function to be non-increasing at every step, k-inductive barrier certificates relax this by allowing a temporary increase -- up to k-1 times, each within a threshold $ε$ -- while maintaining overall safety, and improving flexibility. This paper leverages neural networks and constructs k-inductive neural barrier certificates (k-NBCs) for (partially) unknown nonlinear systems. While neural networks offer scalability in the design process, they lack formal guarantees, requiring additional approaches such as counterexample-guided inductive synthesis (CEGIS) with satisfiability modulo theories (SMT) for verification. However, the CEGIS-SMT framework requires knowledge of system dynamics, which is unavailable in practical settings. To address this, we leverage the generalization of the Willems et al.'s fundamental lemma, using a single state trajectory, to construct a data-driven representation of (partially) unknown models for SMT verification without sacrificing accuracy. Additionally, CEGIS-SMT further removes the constraint of restricting barrier certificates to specific function classes, such as sum-of-squares, enabling greater flexibility in their design. We validate our approach on three nonlinear case studies with (partially) unknown dynamics.

JEPAs often regularize one-view embeddings toward an isotropic Gaussian, implicitly baking Euclidean symmetry into the representation. We show that this is not merely a benign default. For a known structured downstream geometry $H\succ0$, the minimax and maximum-entropy covariance under a Hamiltonian energy budget is $(c/d)H^{-1}$, and Euclidean isotropy incurs a closed-form price of isotropy. More importantly, when the downstream geometry is unknown, no geometry-independent fixed marginal target is canonical: every fixed covariance shape can be maximally misaligned for some structured geometry. We further show that even oracle one-view marginals do not identify the JEPA view-to-view predictive coupling. These results suggest that the structural bias in JEPAs should enter the cross-view coupling rather than a fixed encoder marginal. We instantiate this principle with \textbf{HamJEPA}, which encodes each view as a phase-space state $(q,p)$ and predicts view-to-view transitions with a learned Hamiltonian leapfrog map, while non-isotropic scale and spectral floors prevent collapse. In a deliberately headless token protocol, HamJEPA improves over SIGReg on CIFAR-100 by $+4.89$ kNN@20 and $+3.52$ linear-probe points at 30 epochs, and by $+6.45$ kNN@20 and $+10.64$ linear-probe points at 80 epochs, while a matched MLP predictor ablation shows that the symplectic coupling is the ingredient driving the neighborhood-geometry gain. On ImageNet-100, HamJEPA-$q$ improves by $+4.82$ kNN@20 and $+7.52$ linear-probe points at 45 epochs.

Learning to generalise from limited data is a fundamental challenge for both artificial and biological systems. A common strategy is to extract reusable structure from abundant unlabelled data, enabling efficient adaptation to new tasks from limited labelled data. This two-stage paradigm is now standard in modern training pipelines, where pretraining is followed by fine-tuning or linear probing. We provide an analytical model of this process: structure extraction is formalized as principal component analysis on unlabelled data, and downstream learning as linear regression on a separate labelled dataset. In the high-dimensional regime, we derive exact expressions for training and generalisation error showcasing their dependence on representation dimensionality, unlabelled and labelled sample sizes, and task alignment. Our results show that pretrained representations strongly influence downstream generalisation, and we characterize the optimal representation size as a function of task parameters: with abundant pretraining data but scarce downstream data, maximally compressed representations are optimal, whereas with limited pretraining data, higher-dimensional representations generalise better. Furthermore, we establish an exact trade-off between pretraining and supervision, quantifying how much unlabelled data is required to replace a single labelled sample. Beyond our idealised model, we observe similar phenomenology in autoencoders and pretrained LLMs. Altogether, we highlight that optimising representation size is critical, giving conditions for when compression during pretraining improves generalisation.

Speculative decoding (SD) accelerates large language model inference by leveraging a draft-then-verify paradigm. To maximize the acceptance rate, recent methods construct expansive draft trees, which unfortunately incur severe VRAM bandwidth and computational overheads that bottleneck end-to-end speedups. While dynamic-depth pruning can reduce this latency by removing marginal branches, it also discards potentially valid candidates, preventing the acceptance rate from reaching the upper bound of dense trees. In this paper, we identify a critical opportunity in resource allocation: the transition from dense to pruned drafting frees up significant computational budget. To break this Pareto tradeoff, we introduce Graft, a compensation framework that couples pruning and retrieval as mutually reinforcing operations. Pruning supplies sufficient budget for retrieval, while retrieval compensates for pruning-induced coverage loss and recovers accepted length. By employing a sequential `prune-then-graft' mechanism, Graft attaches highly predictive retrieved tokens into positions opened by pruning, filling the topological gaps with near-zero overhead. Graft is entirely training-free and lossless. Comprehensive evaluations show that Graft establishes a new Pareto frontier across practical deployment settings, including short-context generation, long-context generation, and large-scale models. On short-context benchmarks, it achieves up to 5.41$\times$ speedup and improves average speedup over EAGLE-3 by up to 21.8% on the large-scale Qwen3-235B. We also provide a preliminary exploration of applying Graft to the DFlash-style block drafting paradigm, offering initial evidence and insights for extending grafting beyond autoregressive draft trees.

Discovering shapelets -- i.e., discriminative temporal patterns within time series -- has been widely studied to address the inherent complexity of time-series classification (TSC) and to make model decision-making processes more transparent. However, existing methods primarily focus on population-level shapelets optimized across the entire dataset, which leads to two fundamental limitations: (i) population-level patterns often misalign with instance-specific features, resulting in suboptimal performance and potentially misleading interpretations, and (ii) most methods treat shapelets as independent entities, overlooking important temporal dependencies and interactions among multiple patterns. To address these limitations, we propose INSHAPE, an interpretable TSC framework that discovers variable-length, discriminative temporal patterns specific to each time series. INSHAPE identifies these patterns as non-overlapping segments and models their temporal dependencies, thereby providing clear instance-level interpretations while achieving strong predictive performance. Furthermore, INSHAPE bridges local and global interpretability through a bottom-up approach, aggregating instance-level shapelets into prototypical (population-level) shapelets. Extensive experiments on 128 UCR and 30 UEA benchmark datasets show that INSHAPE consistently outperforms state-of-the-art shapelet-based methods while providing more intuitive and interpretable insights.

Recent work pairs LLMs with evolutionary search to iteratively generate, modify, and select code using task-specific feedback. These systems have produced strong results in mathematical discovery and algorithm design, yet a fundamental question remains: what do they actually evolve? Progress is typically summarized by the best score a run reaches under a task-specific evaluator, but that score can reflect several different mechanisms: new algorithmic structure, re-tuning an existing strategy, recombining ideas already in the model's internal knowledge, or overfitting to the evaluator. Distinguishing these mechanisms requires inspecting the search process itself, not only its final outcome. We introduce EvoTrace, a dataset of evolutionary coding traces spanning four evolutionary frameworks, reasoning and non-reasoning models, and 16 tasks across mathematics and algorithm design. To analyze these traces, we develop EvoReplay, a replay-based methodology that reconstructs the local search states behind high-scoring solutions and tests controlled interventions, including adjusting constants, removing program components and substituting models or prompting contexts. We annotate every code edit in EvoTrace with one of nine recurring edit types using an LLM-as-judge pipeline validated against blind human re-annotation. Across EvoTrace, most score gains come from a small subset of these edit types. We further find a deterministic cycling pattern: about 30% of code lines added during search are byte-identical re-introductions of previously-deleted lines, present throughout nearly every run. These results show that benchmark gains in evolutionary coding agents can arise from qualitatively different mechanisms, only some of which correspond to new algorithmic structure. EvoTrace enables more diagnostic evaluation of evolutionary coding agents beyond final benchmark scores.

Diffusion and flow-based generative models dominate visual synthesis, with guidance aligning samples to user input and improving perceptual quality. However, Classifier-Free Guidance (CFG) and extrapolation-based methods are heuristic linear combinations of velocities/scores that ignore the generative manifold geometry, breaking probability conservation and driving samples off the learned manifold under strong guidance. We analyse guidance through the continuity equation and show its effect decomposes into a divergence term and a score-parallel term defined invariantly across parameterisations. We prove the divergence term blows up structurally as sampling approaches the data manifold, motivating a time-dependent schedule alongside score-parallel attenuation. The resulting plug-and-play rule, Adaptive Manifold Guidance (AdaMaG), bounds both terms at no additional inference cost. Finally, we show that most empirical heuristics for reducing saturation or improving generation quality correspond directly to the two terms in our decomposition. Across image generation benchmarks, AdaMaG improves realism, reduces hallucinations, and induces controlled desaturation in high-guidance regimes.

Distillation transfers knowledge from a large model trained on broad data to a smaller, more efficient model suitable for deployment. In structured prediction settings, prior knowledge about the task can guide the choice of a target architecture that is algorithmically aligned with the underlying problem. Building on recent learning-theoretic analyses of decision-tree (DT) distillation (Boix-Adsera, 2024), we study when distillation succeeds for combinatorial optimization tasks. We focus on the case where the target model is a graph neural network whose architecture is aligned with a dynamic programming (DP) algorithm for the task. Assuming that the source model is sufficiently rich, formalized through the linear representation hypothesis (LRH) (Elhage et al., 2022; Park et al., 2024), we show that the distillation problem can be solved efficiently in the complexity parameters of the DP transition function, represented as a DT. Our results provide a rigorous sufficient condition for successful distillation in the flavour of algorithmic alignment.

Standard generative models struggle with heavy-tailed data: Lipschitz architectures cannot produce power-law tails from Gaussian noise, and interpolating between heavy-tailed data and Gaussians is ill-posed. We propose a simple fix: apply the soft-log transform $ϕ(x) = \mathrm{sign}(x) \cdot \log(1 + |x|)$ coordinate-wise to data before training, then exponentiate samples after generation. A Hill diagnostic decides per-coordinate whether to transform, leaving light-tailed margins untouched at no added complexity. This compresses heavy tails into a range where standard flow matching succeeds, without heavy-tailed base distributions or architectural modifications. We provide theoretical intuition for why this works: the log-transform maps Pareto tails to exponentials, and the induced dynamics implement a form of tail annealing via power transformations. On a 144-configuration multivariate benchmark (3 copulas, $d$ up to 100, 4 tail indices), Log-FM dominates specialized baselines on $W_1$, CVaR$_{99}$, and extreme-quantile metrics, and is the only method with zero severe divergences across 2{,}880 runs.

We study the contextual multi-armed bandit problem with a finite context space (a.k.a. subpopulations), where the learner recommends a best action for each context and is evaluated by context-weighted simple regret. Our guarantees are worst-case over the reward distributions, while remaining instance-dependent with respect to the context distribution vector $p$. Akin to experimental design problems where the population of interest is fixed but the sampled subpopulation can be controlled, we allow the learner to actively choose which context to sample from. For a known $p$, we characterize tight regret rates: passive sampling where contexts are randomly revealed achieves regret of order $\sqrt{n/T \, \lVert p \rVert_{1/2}}$, whereas active sampling with allocation $q_j \propto p_j^{2/3}$ achieves the tight rate $\sqrt{n/T} \, \lVert p \rVert_{2/3}$. The resulting improvement can be as large as $Θ(k^{1/4})$, where $k$ is the number of contexts. We further extend the analysis to budgeted active sampling, characterize the corresponding tight rate, and identify when a limited active budget suffices to recover the fully active rate. When $p$ is unknown, we propose the Explore-Explore-Then-Commit (EETC) algorithm, which optimally balances estimating the context distribution and the time to switch to active allocation, such that for large horizons, it matches the known-$p$ active rate up to constants. Experiments on synthetic and real-world data support our theoretical findings.

Reward-poisoning attacks present a significant risk to learning-based wireless control systems. Given this, we propose a Disagreement-Guided Reward Poisoning (DGRP) adaptive attack on a Soft Actor-Critic (SAC) agent. In a Cognitive Radio Network (CRN) environment assisted by Reconfigurable Intelligent Surfaces (RIS), the SAC agent is tasked with maximizing the long-term secondary users' (SUs) rate by simultaneously optimizing the transmission power of the SU transmitter and the RIS phase shifts. DGRP corrupts rewards, particularly when the SAC dual critics exhibit substantial disagreement-especially in high-leverage, high-uncertainty states-resulting in distorted value estimations and guiding the policy towards suboptimal actions. Our findings demonstrate that DGRP substantially diminishes the performance improvements typically provided by RIS and degrades transmission quality. We further investigate key attack parameters and determine their impact on learning. In comparison to periodic-timing and exploration-triggered baselines, DGRP consistently causes greater damage, highlighting the necessity of considering disagreement-aware threats when evaluating the robustness of Deep Reinforcement Learning (DRL) in RIS-assisted networks.

Text-attributed graph fraud detection (TAGFD) plays a critical role in preventing fraudulent activities on online social and e-commerce platforms. However, to evade detection, fraudsters continuously evolve their camouflaging strategies by deliberately mimicking textual responses of benign users, thereby concealing their malicious purposes. This phenomenon, referred to as semantic camouflage, fundamentally undermines commonly relied assumptions on how structural and attribute cues can be exploited to identify fraudsters, and makes it difficult to spot fraudsters with unsupervised TAGFD. To bridge the gaps, we propose a Case-Adaptive Multi-cue Expert fRAmework (CAMERA) for unsupervised TAGFD. CAMERA employs an ego-decoupled mixture-of-experts architecture, where each expert specializes in modeling a distinct type of fraud-indicative cue. A context-informed gating model is introduced to jointly consider the ego node representation and its local neighborhood context for adaptive integration of cues learned by different experts. Furthermore, CAMERA leverages the inherent rarity of fraudsters to support unsupervised one-class learning with expert-level objectives that encourage modeling dominant benign patterns, thereby enabling reliable unsupervised detection of camouflaged fraudsters. Experiments on 4 challenging datasets show that CAMERA consistently outperforms competitors, showing its effectiveness against semantically camouflaged fraudsters. Code available at https://github.com/CampanulaBells/CAMERA

Bayesian filtering is a well-known problem that aims to estimate plausible states of a dynamical system from observations. Among existing approaches to solve this problem, particle filters are theoretically exact for non-linear dynamics and observations, but suffer from poor scalability in high dimensions. In this work, we show that diffusion-based emulators of dynamical systems can be used to implement, without additional training, an optimal variant of particle filters that has remained largely unexplored due to implementation challenges with classical numerical solvers. Experiments on nonlinear chaotic systems, including atmospheric dynamics, demonstrate that the proposed approach successfully scales particle filtering to high-dimensional settings.

Backpropagation with gradient descent is a common optimization strategy employed by most neural network architectures in machine learning. However, finding optimal hyperparameters to guide training has proven challenging. While it is widely acknowledged that selecting appropriate parameters is crucial for avoiding overfitting and achieving unbiased outcomes, this choice remains largely based on empirical experiments and experience. This paper presents a new probabilistic framework for the learning rate, a key parameter in stochastic gradient descent. The framework develops classic Bayesian statistics into a double-Bayesian decision mechanism involving two antagonistic Bayesian processes. A theoretically optimal learning rate can be derived from these two processes and used for stochastic gradient descent. Experiments across various classification, segmentation, and detection tasks corroborate the practical significance of the theoretically derived learning rate. The paper also discusses the ramifications of the proposed double-Bayesian framework for network training and model performance.

Fine-tuning large language models on new data improves task performance but degrades capabilities learned during pretraining, a phenomenon known as catastrophic forgetting. Existing methods mitigate this by modifying the fine-tuning objective to suppress high-loss tokens or sequences, but these tokens are essential for learning new tasks, especially those with poor pretraining coverage. In such settings, hard tokens should still contribute to learning, so forgetting must be controlled without suppressing them. We identify a simple mechanism for doing so: per-step forgetting is bounded by the product of the learning rate and the square root of the current training loss. This suggests that high-loss batches are especially prone to inducing forgetting. Motivated by this observation, we introduce FINCH, a loss-adaptive learning-rate schedule that reduces the learning rate on high-loss batches and increases it as the model converges, while leaving the fine-tuning objective unchanged. Across knowledge acquisition, science, and low-resource language adaptation benchmarks, FINCH reduces forgetting by 93% on average while matching the task performance of standard fine-tuning. On Qwen3-4B knowledge acquisition, FINCH cuts TruthfulQA degradation by 5x and reverses HaluEval degradation, while better preserving confidence calibration. Overall, our results show that learning-rate schedules are an effective tool to shape model behavior during fine-tuning, beyond just target-task optimization.

Benchmark datasets are critical for reproducible, reliable, and discriminative evaluation of LLMs. However, recent studies reveal that many benchmark datasets are included in pretraining corpora, i.e., $\textit{contaminated}$, which diminishes their value as reliable measures of model generalization. In this paper, we argue that benchmark datasets should be $\textit{contamination-resistant}$, i.e., $\textit{unlearnable}$, but support $\textit{inference}$. To accomplish this, we first highlight the wide prevalence of benchmark dataset contamination and outline the properties of contamination-resistant datasets. Second, we highlight how the asymmetry between the inference and training pipelines in the Transformer architecture can be leveraged to support contamination-resistance. Third, we outline mathematical advancements to make these datasets interoperable across various LLM architectures. Based on the above, we call on the community to ensure the reliability of LLM benchmarking by: (i) advancing novel contamination-resistant methodologies, (ii) developing supporting methods and platforms, and (iii) adopting contamination-resistant benchmarks into existing evaluation pipelines.

Visual-Inertial Odometry(VIO), which is critical to mobile robot navigation, uses cameras with a large number of pixels. Capturing and processing camera images requires significant resources. This work presents a minimalist approach to planar odometry, demonstrating that just four visual measurements and an IMU can provide robust motion estimation for differential-drive robots. Our key insight is that four downward-facing photodiodes that sense the world through optical Gabor masks produce signals that encode speed. Based on this, we jointly optimize the mask parameters alongside a Temporal Convolutional Network (TCN) using a physically-grounded simulator. The resulting model decodes speed from just the four measurements produced by the photodiodes. Pairing these estimates with the angular speed from an IMU yields a continuous planar trajectory. We validate our approach with a prototype sensor mounted on a differential drive robot. Across diverse indoor and outdoor terrains, our system closely tracks the reference ground truth without any real-world fine-tuning. Our work shows that minimalist sensing enables efficient and accurate planar odometry.

Fine-grained manipulation marks a regime where global scene context no longer suffices, and success hinges on the tight coupling of local attribute grounding, high-fidelity spatial perception, and constraint-respecting motor execution. However, current embodied AI benchmarks collapse these capacities into binary success rates, systematically inflating reported capabilities by up to 70% and masking the architectural bottlenecks that impede real-world deployment. We introduce MetaFine, a diagnostic meta-evaluation framework that disentangles manipulation competency along three axes: understanding, perception, and controlled behavior. Built on a compositional task graph, MetaFine absorbs heterogeneous external benchmarks and reconstructs them into diagnostic scenarios of varying complexity under a unified protocol. Evaluating state-of-the-art vision-language-action (VLA) models through this lens exposes severe dimension-specific failures invisible to conventional metrics. Through targeted causal intervention, we identify the visual encoder's ability to preserve local spatial structure as a key bottleneck for fine-grained precision: improving it directly unlocks previously inaccessible manipulation capabilities without modifying downstream policies. MetaFine further supports hybrid real-sim validation, using limited paired real-world rollouts to calibrate scalable simulation-based estimates for more stable physical benchmarking. By shifting evaluation from ranking to diagnosis, MetaFine turns benchmarking into an actionable compass for repairing the layered capacities underlying genuine physical dexterity. The MetaFine framework, benchmarks, and supporting resources will be publicly released at our project page: https://metafine.github.io/.

Neural policies have shown promise in solving vehicle routing problems due to their reduced reliance on handcrafted heuristics. However, current training paradigms suffer from a fundamental limitation: they primarily focus on next-node prediction for solution construction, resulting in myopic decision-making that undermines long-horizon planning capacity. To this end, we introduce Multi-node Lookahead Prediction (MnLP), a novel training strategy that extends the supervised learning paradigm to predict multiple future nodes simultaneously. We incorporate causal and discardable MnLP modules that operate exclusively during training, facilitating models to anticipate multi-step decisions while preserving inference-time efficiency. By incorporating multi-depth auxiliary supervision into the loss function, MnLP equips neural policies with the ability of long-range contextual understanding. Experimentally, MnLP outperforms existing training methods, improving the generalization capability of neural policies across various problem sizes, distributions, and real-world benchmarks. Moreover, MnLP can be seamlessly integrated into diverse neural architectures without introducing additional inference overhead.

Vector quantization is a fundamental primitive for scalable machine learning systems, enabling memory-efficient storage, fast retrieval, and compressed inference. Recent rotation-based quantizers such as EDEN, RabitQ, and TurboQuant have introduced strong guarantees and empirical performance, but the surrounding comparisons have been difficult to interpret because they rely on different distortion criteria, probability regimes, and implementation assumptions. As our first contribution, we provide a unified theoretical comparison of these methods and show that their relative advantages are criterion-dependent rather than absolute: EDEN and TurboQuant are favorable for MSE distortion, EDEN is also effective for expected inner-product distortion, and RabitQ provides strong high-probability control. This comparison further clarifies that EDEN provides particularly strong guarantees for expected distortion measures. As our second contribution, we introduce Block-Sphere Quantization (BlockQuant), a new rotation-based block quantization algorithm designed around the spherical geometry of randomly rotated vectors. Unlike coordinate-wise quantizers, BlockQuant quantizes blocks on the sphere, preserving the geometry of rotated embeddings more faithfully. We prove that this block-spherical design theoretically improves over the baselines considered in this paper for both reconstruction MSE and expected inner-product distortion. Our experiments on real embedding datasets and long-context LLM inference tasks show practical gains that are consistent with our theoretical improvements.

Optimization-based adversarial suffixes can jailbreak aligned large language models (LLMs) while remaining fluent, weakening static and windowed perplexity-based detectors. We cast adversarial suffix detection as an online change-point detection problem over the token-level next-token entropy stream. Using the LLM system prompt to estimate a robust baseline, we standardize user-token entropies and apply a one-sided CUSUM statistic. The resulting detector, CPD Online (CPD), is model-agnostic, training-free, runs online, and localizes the adversarial suffix onset. On a benchmark of 1,012 optimization-based suffix attacks (GCG, AutoDAN, AdvPrompter, BEAST, AutoDAN-HGA) and 1,012 perplexity-controlled benign prompts, CPD improves F1 over the strongest windowed-perplexity baseline on all six open-weight chat models (LLaMA-2-7B/13B, Vicuna-7B/13B, Qwen2.5-7B/14B). On LLaMA-2-7B at the canonical CUSUM setting ($k=0$), CPD reaches AUROC $0.88$ and F1 $0.82$. Beyond prompt-level detection, CPD concentrates 79.6% of its triggers inside the adversarial suffix, versus 17-46% for windowed perplexity. Finally, when used as a lightweight gate for LLaMA Guard, CPD reduces guard calls by 17-22% on a high-volume, benign-dominated deployment while preserving guard-level detection quality

Infinite-dimensional orthonormal basis expansions play a central role in representing and computing with function spaces due to their favorable linear algebraic properties. However, common bases such as Fourier or wavelets are fixed and do not adapt to the structure of a given problem or dataset. In this paper, we aim to represent these bases with neural networks and optimize them. Our key idea is that any target infinite-dimensional orthonormal basis can be viewed either as a point on the Lie manifold of the orthogonal group, or equivalently, as the endpoint of a continuous path on that manifold that connects a reference basis, e.g. Fourier, to that target. Paths on the Lie manifold satisfy ordinary differential equations (ODEs) governed by skew-adjoint integral operators. Using neural networks to define finite-rank generators of such ODEs allows us to parameterize and optimize orthonormal bases in function space. While relying on finite-rank generators to model infinite operators might seem restrictive, we prove a universality result: even with a rank-2 generator, the integrated solutions of the ODE are dense in the orthogonal group under the appropriate operator topology. In other words, for any target orthonormal basis, there exists a path originating from a reference basis and driven by finite-rank generators that gets arbitrarily close to that target basis. We demonstrate the flexibility of our framework by transforming the Fourier basis into the principal components of a functional dataset, eigenfunctions of linear operators, or dynamic modes of energy-preserving physical simulations.

This work addresses the problem of learning directed acyclic graphs (DAGs) from nodal observations generated by a linear structural equation model. DAG learning is a central task in signal processing, machine learning, and causal inference, but it remains challenging because acyclicity is a global combinatorial property. Continuous acyclicity constraints have led to important algorithmic advances by replacing the discrete DAG constraint with smooth equality constraints. However, existing formulations still involve difficult non-convex optimization landscapes and may suffer from degenerate first-order optimality conditions. Here, we restrict attention to DAGs with non-negative edge weights and exploit this additional structure to obtain a simpler characterization of acyclicity. Building on this characterization, we formulate a regularized non-negative DAG learning problem and develop an algorithm based on the method of multipliers. We further analyze the benign optimization landscape induced by non-negativity. In the population regime, we show that the true DAG is the unique global minimizer of the proposed augmented-Lagrangian formulation; moreover, the landscape contains no spurious interior stationary points, and the true DAG is the only acyclic KKT point. Numerical experiments on synthetic and real-world data show that the proposed method improves over state-of-the-art continuous DAG-learning alternatives.

While empirical scaling laws for LLM reasoning are well-documented, the theoretical mechanisms governing out-of-distribution (OOD) generalization remain elusive. We formalize reasoning via optimal transport, projecting discrete trajectories into a continuous metric space to quantify domain shifts using the Wasserstein-1 distance. Invoking Kantorovich duality, we bound OOD generalization via architectural Lipschitz continuity and functional approximation limits. This exposes two primary constraints. First, position-dependent attention (e.g., Absolute Positional Encoding) fails to preserve shift invariance, yielding an $Ω(1)$ Lipschitz constant and expected risk, whereas shift-invariant mechanisms (e.g., Rotary Embeddings) preserve equivariance and bound the error. Second, by mapping sequential backtracking to a Dyck-$k$ language, we establish a strict circuit depth lower bound for $\text{TC}^0$ Transformers. Scaling physical layer depth is necessary to avert representation collapse -- a constraint that scaling representation width cannot bypass due to irreducible approximation bounds in Barron spaces. Evaluations across 54 Transformer configurations on combinatorial search corroborate these bounds, demonstrating that generalization risk degrades monotonically with the Wasserstein domain shift.

Large language model (LLM) agents increasingly operate over long and recurring external contexts, like document corpora and code repositories. Across invocations, existing approaches preserve either the agent's trajectory, passive access to raw material, or task-level strategies. None of them preserves what we argue is most needed for repeated same-context workloads: reusable orientation knowledge (e.g., what the context contains, how it is organized, and which entities, constants, and schemas have historically been useful) about the recurring context itself. We introduce PEEK, a system that caches and maintains this orientation knowledge as a context map: a small, constant-sized artifact in the agent's prompt that gives it a persistent peek into the external context. The map is maintained by a programmable cache policy with three modules: a Distiller that extracts transferable knowledge from inference-time signals, a Cartographer that translates it into structured edits, and a priority-based Evictor that enforces a fixed token budget. On long-context reasoning and information aggregation, PEEK improves over strong baselines by 6.3-34.0% while using 93-145 fewer iterations and incurring 1.7-5.8x lower cost than the state-of-the-art prompt-learning framework, ACE. On context learning, PEEK improves solving rate and rubric accuracy by 6.0-14.0% and 7.8-12.1%, respectively, at 1.4x lower cost than ACE. These gains generalize across LMs and agent architectures, including OpenAI Codex, a production-grade coding agent. Together, these results show that a context map helps long-context LLM agents interact with recurring external contexts more accurately and efficiently.

Estimating forest aboveground biomass (AGB) from Earth observation combines two structurally incompatible label sources: spaceborne lidar provides canopy structure at millions of locations but no biomass estimate, and ground-based plots provide biomass at thousands of biased locations but no metrics of structure. No single training sample carries labels for all target variables, plot labels are missing not at random (MNAR), and biomass is linked to the structural variables by known but biome-specific allometric laws. We formalise this as multi-task dense regression under heterogeneous disjoint partial supervision with MNAR labels and inter-task physical constraints, and propose StruMPL to address it jointly. A shared encoder feeds per-variable regression, imputation, and propensity heads for spatial MNAR correction, and a learnable physics module that evaluates the inter-task constraint on the model's own predictions at every pixel. The supervised loss uses an Augmented IPW (AIPW) pseudo-outcome with stop-gradients on the propensity and on the imputation baseline; we show analytically and empirically that both are necessary for joint optimisation to recover IPW-weighted stationary points while keeping the loss bounded. On two ecologically distinct biomes, StruMPL outperforms ablation variants and the closest published method on AGB RMSE and bias, with a stratified analysis showing AIPW reduces high-AGB bias by ~54%.

Counterfactual Regret Minimization (CFR) is the dominant algorithmic family for solving large imperfect-information games, underpinning breakthroughs such as Libratus and Pluribus in No-Limit Texas Hold'em poker. In real-time game-playing systems, the solver must compute a near-equilibrium strategy within a strict time budget of only a few seconds per decision, and the number of CFR iterations completed in this window directly determines play strength. We present \textbf{Parallel CFR}, the first parallelization framework for real-time depth-limited CFR solving that seamlessly integrates pruning, abstraction, and advanced CFR variants. We decompose each CFR iteration into a pipeline of seven stages and identify two orthogonal dimensions of parallelism: \emph{by information set} and \emph{by tree node}. Leaf node evaluation is offloaded to GPUs via batched neural network inference, creating a heterogeneous CPU--GPU pipeline. Experiments on Heads-Up No-Limit Texas Hold'em demonstrate that Parallel CFR achieves $3.3$--$3.4\times$ speedup over the single-threaded baseline on postflop streets, with per-iteration time of ${\sim}47$--$54$~ms on a depth-limited game tree with over $1$ billion histories. All experiments run on a single desktop-class device (NVIDIA DGX Spark), enabling hundreds of CFR iterations within a typical real-time decision budget without requiring datacenter-scale infrastructure.

The progression of reinforcement learning algorithms have been driven by challenging benchmarks. The rate in which a researcher can iterate on a problem setting directly impacts the speed of algorithm development. Modern machine learning has produced tools that allow for fast and scalable algorithm development like the JAX library. With the availability of these tools, a serious bottleneck in algorithm development is the availability of large and complex domains for experimentation. Most notably, the JAX reinforcement learning ecosystem does not have any benchmarks that test visual first-person tasks; these domains are crucial for testing both exploration and an agent's ability to overcome partial observability. We introduce JAXenstein: an open-source JAX-based benchmark that implements the Wolfenstein 3D rendering engine for fast and scalable experimentation in visual first-person tasks. JAXenstein is several times faster than comparable vision-based benchmarks, and is easily extensible to more complex first-person domains.

We introduce Contrastive FUSE, a fast and unified framework for scalable node representation learning in graphs with partially available pairwise node labels and no available node features. Unlike existing methods, we directly optimize a spectral contrastive objective that integrates community-aware structural signals with signed pairwise constraints. To support large-scale training, we replace the expensive modularity gradient with a lightweight approximation, which preserves the structure-seeking behavior of modularity while reducing the computational cost significantly. This yields an efficient optimization scheme with a natural gradient decomposition and adaptive learning-rate scaling, enabling fast iterative updates even on million-edge graphs. Extensive experiments on benchmark citation networks, large co-purchase graphs, and OGB datasets show that Contrastive FUSE achieves competitive or superior contrastive classification performance without relying on node features, while offering substantial runtime gains over existing baselines. These results highlight the effectiveness of coupling modularity-inspired structural learning with contrastive supervision for efficient and scalable contrastive node representation learning.

Predicting protein-ligand binding affinity remains intractable for multi-domain proteins, where inter-domain dynamics govern molecular recognition. Existing geometric deep learning methods typically treat proteins as monolithic static graphs, suffering from rigid-body assumptions and aleatoric noise in flexible regions. To address this, we introduced HCLBind, a self-supervised framework that decouples geometric representation learning from affinity regression. HCLBind leverages a general-to-specific pre-training paradigm on the Q-BioLiP database to learn a robust physical grammar of binding. We propose a novel hierarchical decoy strategy: the model learns local physicochemical constraints through protein coordinate perturbation in single-domain proteins and global conformational geometry through inter-domain rotation in multi-domain complexes. Our hybrid architecture integrates a domain-gated graph attention network and cross-modal attention to explicitly prioritize domain interfaces. Furthermore, we employ LoRA on protein and ligand foundation models, ensuring efficient optimization while preserving evolutionary knowledge. Experiments on PDBBind demonstrate that HCLBind effectively learns discriminative interface features and provides robust uncertainty estimation, overcoming the limitations of standard supervised learning. The code is available at https://github.com/jiankliu/HCLBind.

Training very deep neural networks requires controlling the propagation of magnitudes across depth. Without such control, activations and gradients may vanish, explode, or enter unstable regimes that make optimization fail. Modern architectures often mitigate this problem through Batch Normalization, residual connections, or other normalization layers, which repeatedly re-scale or bypass intermediate representations. However, these mechanisms are not always appropriate. In Physics-Informed Neural Networks (PINNs), the network represents a continuous physical field and its input derivatives define the training objective, making batch-dependent normalization problematic because it can introduce non-local dependencies into the predicted field and its derivatives. We propose StableGrad, an optimizer-level scale-control mechanism that corrects layer-wise weight-gradient imbalances without modifying the forward model. Because the normalization is applied only after backpropagation and before the optimizer update, the network output, its derivatives, and the physical residual remain unchanged. We analyze the effective training dynamics induced by this rescaling and evaluate StableGrad on deep PINNs as the target application, with BatchNorm-free convolutional networks serving as a diagnostic stress test. On PINN benchmarks, StableGrad improves matched-depth solution accuracy and makes deeper models more reliable under standard optimization. On ResNet and EfficientNet architectures, where removing Batch Normalization normally leads to training collapse, StableGrad stabilizes optimization without introducing any other architectural change. These results show that optimizer-level control of weight-gradient scale can provide a practical alternative when forward normalization is unavailable or undesirable.

We propose a scalable tensorization framework for neural network compression based on slice-wise feature distillation. Unlike conventional tensor decomposition methods that rely on costly global finetuning, our approach decomposes the network into slices consisting of either individual layers or blocks (e.g., convolutional layers or MLPs), or small groups of consecutive layers, and tensorizes each slice independently to reproduce the intermediate representations of the original pretrained model. This modular strategy improves accuracy recovery, reduces data requirements, and enables efficient parallel optimization. Experiments on ResNet-34 show significant gains over conventional global tensorization, achieving near-lossless compression at moderate compression rates with faster optimization. Results on GPT-2 XL further demonstrate the scalability of the method and its applicability to large-scale models, particularly in distributed settings.

To support operations and passenger-facing services, transit agencies need reliable passenger load trajectories. Currently, load estimates are typically inferred from imperfect sensing systems rather than fully observed, and the accuracy of modern automatic passenger counting (APC) systems still varies with station layout, flow intensity, and operating conditions. To address the challenges of robust passenger load estimation from heterogeneous data streams, including incremental count errors, evidence conflicts, and context-dependent sensor reliability, we propose a closed-loop, state-centric, multi-agent framework. This method enforces physical feasibility at every step, allocates trust dynamically among evidence sources, and feeds physics-derived violation residuals back into training for robustness improvement. The architecture consists of a unified stop-event backbone, a coupled Perception--Physical--Fusion loop for stop-by-stop inference, and optional trip-level macro-correction and closed-loop calibration modules.

Conventional treatment policies map patient covariates to a single recommended intervention in order to maximize expected clinical outcomes. Although a rich body of causal inference methods has been developed to estimate such policies, point-valued recommendations can be highly sensitive to estimation uncertainty, model specification, and finite-sample variability, while typically providing little guidance about how confident one should be in the recommended action. In this work, we propose a set-valued policy learning paradigm for the multiple-treatment setting, in which policies output a set of plausible treatments rather than a single recommendation. This formulation enables intrinsic uncertainty quantification, with the size of the predicted set reflecting the degree of decision ambiguity. We extend the learning-to-defer framework to multiple treatments via a novel \textit{greatest Lower Bound} method, and introduce \textit{conformal policy learning}, which bridges the gap between unobserved ground-truth optimal treatments and estimated optimal treatment rules. Drawing on insights from the noisy-label literature, we develop a randomness-injection approach that guarantees marginal coverage without requiring assumptions on underlying black-box optimal treatment rules. Through experiments on synthetic data and a real-world application to In-Vitro Fertilization (IVF), we demonstrate that our methods produce robust and actionable policies that naturally incorporate clinical considerations while effectively balancing performance and reliability.

Neural operators have achieved strong performance in learning solution operators of partial differential equations (PDEs), but their inherently continuous representations struggle to capture discontinuities and sharp transitions. Existing approaches typically approximate such features within continuous function spaces, often requiring increased model capacity and high-resolution data. In this work, we propose Cut-DeepONet, a two-stage training framework that explicitly models discontinuities while reducing learning complexity. Our approach reformulates the problem via a lifting strategy, partitioning the domain into smooth subregions while representing discontinuities as boundaries in a higher-dimensional space. This separation aligns the operator learning task with the inductive bias of neural networks and avoids directly approximating discontinuities. An additional network predicts input-dependent discontinuity locations for unseen inputs, which are then used to guide the neural operator in generating smooth components within each region. Experiments on benchmark PDEs show that Cut-DeepONet outperforms state-of-the-art methods, even when trained on low-resolution datasets. The method excels on problems with discontinuities and sharp transitions, while using fewer trainable parameters. Our results highlight the benefits of changing the representation of operator learning rather than increasing model complexity.

Temporal graph neural networks (TGNNs) have gained significant traction for solving real-world temporal graph tasks. However, their interpretability remains limited, as most TGNNs fail to identify which historical interactions most influence a given prediction. Despite promising progress on interpretable TGNNs, existing methods predominantly focus on previously seen historical interactions, which we term stability patterns, while overlooking newly emerging first-time interactions, which we term transition patterns. Both types of patterns are essential for faithful temporal explanations. To address this limitation, we propose ST-TGExplainer, a self-explainable TGNN that disentangles Stability and Transition patterns in temporal graphs for a more faithful Temporal GNN Explainer. Guided by a disentangled information bottleneck objective, ST-TGExplainer learns a compact explanatory subgraph that remains predictive of the event label while explicitly suppressing label-conditioned redundancy between stability and transition patterns. Extensive experiments demonstrate that ST-TGExplainer achieves strong predictive performance and yields more faithful explanations. Code is available at https://github.com/hjchen-hdu/ST-TGExplainer.

We prove a general lower bound for differentially private federated learning protocols with arbitrary public-transcript interactions. The protocol may use any number of adaptive rounds, and each client's local samples may be reused across rounds. For parameter estimation under squared \(\ell_2\) loss, we establish a federated van Trees lower bound for every estimator satisfying a total clientwise sample-level zero-concentrated differential privacy (zCDP) constraint. The main technical ingredient is a privacy-information contraction inequality for complete public transcripts. We illustrate the bound through applications to mean estimation, linear regression, and nonparametric regression.

We introduce FLUXtrapolation, a benchmark for extrapolating ecosystem fluxes under progressively harder distribution shifts. Ecosystem fluxes are central to understanding the carbon, water, and energy cycles, yet they can only be measured directly at sparsely located measurement towers. Producing global flux estimates therefore requires training models on observed sites using globally available covariates and predicting in unobserved regions, that is, upscaling. Flux upscaling is a challenging domain generalization problem that is affected by a shift in covariate distribution across climates, ecosystem types, and environmental conditions, as well as by conditional shift: important drivers remain unobserved at global scale. We provide a quantitative analysis of both these shifts in $P_X$ and $P_{Y\mid X}$. FLUXtrapolation is designed based on domain expertise on flux upscaling: it defines temporal, spatial, and temperature-based extrapolation scenarios and evaluates performance across held-out domains, temporal aggregations, and tail errors. In a pilot study, we find that baselines perform similarly under median hourly RMSE, but separate under the proposed tail-focused and multi-scale evaluation. FLUXtrapolation therefore poses a realistic and thus relevant challenge for machine learning methods under distribution shift; at the same time, progress on this benchmark would directly support the scientific goal of improving flux upscaling.

In large-scale optimization, the cheapness and effectiveness of update steps are the most crucial factors for a successful optimizer. Sign-based optimizers like Lion or Signum produce cheap per-step updates, whereas Muon's spectral matrix-sign update gives a much stronger direction at a substantially higher per-step cost. In this work, we propose LionMuon, which retains the effectiveness of Muon steps while considerably cutting the averaged iteration cost, similar to sign-based methods. It alternates between Lion's and Muon's updates on a fixed period P, sharing a single dual-EMA momentum buffer between them. The optimizer state memory therefore matches Lion and is exactly half of AdamW's. A simpler single-EMA variant, SignMuon, by itself already outperforms pure Muon. At P = 2, LionMuon Pareto-dominates Muon, Lion, Signum, and AdamW on every dataset and architecture we tested at 124M model size, reaching lower validation loss at lower compute, and the same advantage persists at 355M and 720M scale. On the theory side, we prove sharp complexity bounds under heavy-tailed noise which are governed by period-averaged smoothness and noise that interpolate between Muon's and Lion's constants. These bounds predict the compute-optimal period and the conditions under which LionMuon outruns Muon and Lion. Code: https://github.com/brain-lab-research/lion-muon

For practical use, diffusion- or flow-based generative models must be aligned with task-specific rewards, such as prompt fidelity or aesthetic preference. That alignment is challenging because the reward is defined for clean output images, but the alignment procedure requires value function estimates at noisy intermediate latents. Existing methods resort to Tweedie-style or Monte Carlo approximations, trading off estimator bias against computational cost: Tweedie estimates are efficient but biased, while Monte Carlo estimates are more accurate but require expensive rollouts. A natural alternative would be a learned value function, but it remains an open question how to effectively train a strong and general value model specifically for noisy latents. Here, we propose StitchVM, a model stitching framework that efficiently transfers reward models pretrained for clean images to the noisy latent regime. StitchVM starts from an existing, truncated pixel-space reward model and attaches a frozen diffusion backbone to it as its head. From the pixel-space model, the resulting hybrid retains a carefully pretrained, robust reward capability; from the diffusion backbone, it inherits its native ability to handle noisy latents. The stitching procedure is exceptionally lightweight, e.g., stitching and finetuning CLIP ViT-L and SD 3.5 Medium takes only 10 GPU-hours. By lifting powerful pixel-space reward models to latent space, StitchVM opens up a new style of diffusion alignment: instead of rough, yet costly per-sample approximation of the value function, the correct function for the actual, noisy latents is constructed once and then amortized over many samples and iterations. We show that this approach yields improvements across a broad range of downstream steering and post-training methods: DPS becomes $3.2\times$ faster while halving peak GPU memory, and DiffusionNFT becomes $2.3\times$ faster.

LLM discovery and optimization systems are increasingly applied across domains, implementing a common propose-evaluate-revise loop. Such optimization or discovery progresses via context conditioning on received feedback from an environment. However, as modern LLM agents are increasingly complex in their structure, it is difficult to evaluate which components contribute the most, and when and how this exploration may fail. We answer these questions through three controlled experiments. Our findings: (1) In pure black-box optimization, LLMs act as greedy optimizers. (2) In zero-shot kernel generation, providing explicit input-size information has no measurable effect, models converge to the same kernel parameters regardless of size or temperature, as though the size instruction were invisible. Moreover, when tasked to perform kernel optimization for uncommon kernel sizes, performance sharply degrades regardless of the language used. (3) In feedback-loop kernel optimization, CUDA improves monotonically under iterative feedback, while TVM IR actively degrades, which demonstrates that kernel optimization degrades when models operate with low-density language. Our results conclude that LLMs in code optimization tasks highly depend on pretrained priors rather than provided feedback or agentic structure.

We adapt split conformal prediction and adaptive conformal inference (ACI) to continuous AI agent evaluation, providing distribution-free coverage guarantees for forecasted quality scores. Conformal intervals achieve calibration error below 0.02 across all nominal levels at the 24h horizon, while ACI correctly widens intervals by 35% following agent releases then reconverges. We further develop compositional uncertainty bounds for multi-agent pipelines (validated via simulation across inter-stage correlations rho in [-0.5, 0.9]), a conformal abstention rule for pairwise rankings with controlled false-ranking rate, and FDR-corrected abstention for leaderboard-scale multiple testing. Evaluating 50 agents via 18 real-time signals collected hourly, we show that per-agent conditional coverage is well-concentrated around the nominal level (mean 80.4%, 90% of agents within [72%, 90%]), and that cross-source sentiment divergence predicts ranking instability (r=0.64, p<0.01). A circularity-controlled validation confirms the framework captures signal beyond benchmarks (rho_s=0.52, p<0.01, n=35). Code and data are released under CC BY 4.0.

In recent years, transformer architectures have revolutionized the field of language processing, opening the door to previously unforeseen possibilities. However, from a theoretical point of view, the mathematical models proposed in the literature often lack direct contact with the actual architectures and depend on strong simplifying assumptions. In this paper, we reduce this gap by modelling the data flow in multi-headed transformer architectures as time-dependent gradient flows for a suitable interaction energy capturing the design of the attention mechanism. The explicit dependence on time allows us to consider different weights for each head and for each layer, without imposing constraints on the initialization method. Moreover, we prove that, under a suitable integrability assumption on the evolution of the weights, each element of the $ω$-limit set of the gradient flows is a stationary point of the interaction energy at a limiting weight distribution. Finally, we analyse the stability of the gradient flows considering perturbations of both the initial data and the weights. Specifically, on the one hand, we study the robustness of the proposed models with respect to noisy inputs, establishing a continuous dependence of the gradient flows on the initial data and uniqueness of the flows. On the other hand, we prove the $Γ$-convergence of the perturbed interaction energy to the unperturbed one, leading to the convergence of the corresponding gradient flows. We complement these theoretical results with numerical experiments that confirm the predicted energy-dissipation identity and clarify the asymptotic behavior of the dynamics in both the autonomous-like (Ornstein--Uhlenbeck) and the genuinely non-autonomous (oscillating-weights) regimes.

Constrained machine learning enables fairness-aware training, physics-informed neural networks, and integration of symbolic domain knowledge into statistical models. Despite its practical importance, no general method exists for the non-convex, non-smooth, stochastic setting that arises naturally in deep learning. We propose the Stochastic Penalty-Barrier Method (SPBM), which extends classical penalty and barrier methods to this setting via exponential dual averaging, a stabilized penalty schedule, and the Moreau envelope to handle non-smoothness. Experiments across multiple settings show that SPBM matches or outperforms existing constrained optimization baselines while incurring only linear runtime overhead compared to unconstrained Adam for up to 10,000 constraints.

A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a machine-learning-based approach to fast simulation of the Focusing Aerogel Ring Imaging Cherenkov (FARICH) detector response. Given a particle track and momentum, the goal is to generate realistic samples of photon hits on the detector matrix. We propose a conditional Generative Adversarial Network (cGAN) with a lightweight convolutional architecture that reproduces the projected detector response conditioned on particle parameters. We compare the cGAN against a linear statistical baseline using metrics applied to probability maps and to the reconstructed velocity distributions. The cGAN produces realistic samples and provides a significant speed-up over Monte-Carlo simulation.

Quantization-aware training (QAT) is widely adopted to quantize language models by training full-precision weights using gradients from the quantized model. The main bottleneck is its slow convergence and early performance plateau, particularly below 4-bit-widths. While this problem has been observed in prior work, its precise cause remains unclear. In this paper, we analyze the convergence of QAT by estimating the spectrum of the loss-surface Hessians. We find that the weights converge to flat regions around saddle points, where a large fraction of the Hessian eigenvalues are both positive and negative. During training, an increasing fraction of Hessian eigenvalues concentrates around zero, whose magnitude decreases. At lower bit-widths, the magnitude of eigenvalues in the Hessian spectrum is significantly smaller. To mitigate these issues, we propose an algorithm called WinQ to accelerate QAT, which involves: (1) periodically resetting weights to the linear interpolation of full-precision and quantized weights, reducing the distance to the quantization grid and increasing eigenvalue magnitude, and (2) computing gradients of noise-injected weights to regularize the Hessian. Extensive experiments show that WinQ accelerates QAT by up to 4 times across various quantization methods and models. Under the same training cost, WinQ improves state-of-the-art sub-4-bit quantization by up to 8.8%. These results are consistent across 16 settings with different language models, quantization methods, and bit widths.

We introduce EfficientTDMPC, a sample-efficient model-based reinforcement learning method for continuous control built on the TD-MPC family of algorithms. Central to this family is a planner that aims to find an action sequence that maximizes the estimated return. The return is estimated using a learned model and value networks, each of which can introduce error. EfficientTDMPC proposes to reduce this error in two ways. First, it introduces an ensemble of dynamics models and averages the return estimates across those models and across different rollout depths. Second, it adds the option to apply an uncertainty penalty to the planner objective, yielding a planner that avoids actions with uncertain return estimates. It then adds practical improvements which increase buffer data freshness and reduce compute. Lastly, we find that our contributions enable EfficientTDMPC to benefit more from a higher update-to-data (UTD) ratio, further improving sample efficiency. To the best of our knowledge, in the low data regime of each benchmark, EfficientTDMPC achieves state-of-the-art (SOTA) in terms of sample efficiency on HumanoidBench-Hard and DMC hard, while matching SOTA on DMC easy.

Spatiotemporal forecasting is critical for real-world applications like traffic management, yet capturing reliable interactions remains challenging under noisy and non-stationary conditions. Existing methods primarily rely on historical spatial priors, often failing to account for evolving temporal correlations and suffering from systematic errors. In this work, we propose a nested forecasting framework that couples future macro-level regional trends with micro-level historical observations, enabling top-down guidance from abstract future representations for fine-grained forecasting. Specifically, we employ a spectral clustering-based approach to construct semantically coherent regions, providing both theoretical and empirical evidence that this representation effectively filters systematic noise while preserving essential trends. Building on this, we develop a progressive coarse-to-fine predictor to integrate these representative features into the inference process. This enables the model to leverage trend predictions to anticipate dynamic anomalies, such as periodic offsets, in advance. Furthermore, extensive experiments on multiple high-dimensional datasets demonstrate that our method consistently outperforms state-of-the-art baselines, validating the effectiveness of future macro-guided nested forecasting.

Real-world control systems frequently operate under \emph{piecewise stationary} conditions, where dynamics remain stable for extended periods before undergoing abrupt regime changes. Standard robust RL methods face a fundamental dilemma: a globally conservative policy wastes performance during stable periods, while a locally adaptive policy risks catastrophic failure when the regime changes undetected. We propose \textbf{BAPR} (Bayesian Amnesic Piecewise-Robust SAC), which unifies Bayesian Online Change Detection (BOCD) with robust ensemble RL. The BAPR operator -- a convex combination of mode-conditional Bellman operators weighted by a frozen belief distribution -- is a $γ$-contraction. A complementary counterexample, machine-verified in Lean~4, establishes a \emph{sharp boundary}: when beliefs depend on the Q-function, the contraction factor becomes $γ+ λΔ$ (where $Δ$ is the mode reward gap), and contraction fails exactly when $γ+ λΔ\geq 1$. We derive a \emph{component-wise} formal error budget for the abstract operator -- every component machine-verified -- bounding post-switch recovery; the budget applies to the abstract mode-mixture operator and inherits to the implemented shared-critic algorithm only through the frozen-parameter design intuition. All results are formally verified with no \texttt{sorry} (1,145 lines across 3 Lean~4 files, 22 machine-verified theorems). BOCD drives an adaptive conservatism mechanism: the policy becomes maximally conservative after detected change-points and smoothly relaxes as confidence grows, with detection delay $O(\log(1/δ))$. A context-conditioning module trained via RMDM loss provides mode-aware representations from simulator-provided mode IDs at training time and requires no mode labels at deployment.

Distillation enables compact Vision-Language Models (VLMs) to obtain strong reasoning capabilities, yet the prompts driving this process are typically chosen via simple heuristics or aggregated from off-the-shelf datasets. We reveal a critical inefficiency in this approach: up to 69% of the prompts in standard chart / document reasoning datasets are effectively zero-delta, meaning the teacher and student already induce the exact same answer distribution. Training on these prompts provides minimal learning signal, causing student improvement to rapidly saturate regardless of data scale. To escape the zero-delta trap, we return to first principles: distillation fundamentally minimizes distributional divergence, and thus a prompt is valuable only if it exposes a functional capability gap between the teacher and student. We quantify this gap through answer divergence ($Δ$), demonstrating that non-zero divergence is critical for effective scaling. Building on this insight, we propose a staged synthesis pipeline that repurposes existing datasets as seeds, actively targeting student failure modes to produce better prompts. The result is DeltaPrompts, a diverse dataset of 200k synthetic, high-divergence reasoning problems. We evaluate DeltaPrompts across three distinct settings: on-policy distillation with the target teacher-student pair, transfer to a novel model family without regenerating the data, and off-policy fine-tuning of a non-reasoning model. Across all scenarios, DeltaPrompts drives substantial gains, yielding up to 15% relative improvement even on top of a highly-optimized reasoning model (e.g., Qwen3-VL-8B-Thinking) -- averaged over 10 benchmarks spanning chart, document and perception-centric reasoning.

Recursive learning -- where models are trained on data generated by previous versions of themselves -- is increasingly common in large language models, autonomous agents, and self-supervised systems. However, standard performance metrics (loss, perplexity, accuracy) often fail to detect internal degradation before it becomes irreversible. Here we identify a phenomenon we call silent collapse: under broad recursive conditions, model internal distributions -- predictive entropy, representational diversity, and tail coverage -- progressively contract even as conventional metrics appear stable or improving. We discover that silent collapse is not abrupt. Its onset is reliably preceded by three trajectory-level precursors: (1) contraction of anchor entropy, (2) freezing of representation drift, and (3) erosion of tail coverage. These signals manifest multiple generations before any degradation in standard validation metrics, enabling early warning. Based on these precursors, we propose the MTR (Monitor--Trust--Regulator) framework, a lightweight metacognitive loop that monitors trajectory statistics, estimates a slow-timescale trust variable, and adaptively modulates the effective learning intensity. MTR provides early warning and actively prevents silent collapse without requiring access to pristine real data -- a critical advantage when original data is unavailable, contaminated, or private.

Masked autoencoders (MAEs) have recently shown promise for self-supervised representation learning of resting-state brain functional connectivity (FC). However, a fundamental question remains unresolved: how should FC matrices be tokenized to align with the intrinsic modular organization of large-scale brain networks? Existing approaches typically adopt region-centric or graph-based schemes that treat FC as structurally homogeneous elements and overlook the large-scale network brain organization. We introduce NERVE (Network-Aware Representations of Brain Functional Connectivity via Bilinear Tokenization), a self-supervised learning framework that redefines FC tokenization by partitioning FC matrices into patches of intra- and inter-network connectivity blocks. Unlike image-based MAE, where fixed-size patches share a common tokenizer, FC patches defined by network pairs are heterogeneous in size and correspond to distinct functional roles. To resolve this problem, NERVE embeds FC patches through a novel structured bilinear factorization. This formulation preserves network identity and reduces parameter complexity from quadratic to linear scaling in the number of networks. We evaluate NERVE across three large-scale developmental cohorts (ABCD, PNC, and CCNP) for behavior and psychopathology prediction. Compared to structurally agnostic MAE variants and graph-based self-supervised baselines, the proposed network-aware formulation yields more stable and transferable representations, particularly in cross-cohort evaluation. Ablation studies confirm that the proposed bilinear network embedding and anatomically grounded parcellation are critical for performance. These findings highlight the importance of incorporating domain-specific structural priors into self-supervised learning for functional connectomics. Code is available at: https://github.com/leomlck/NERVE.

Internet of Things (IoT) systems continuously collect heterogeneous sensing signals from ubiquitous sensors to support intelligent applications such as human activity analysis, emotion monitoring, and environmental perception. These signals are inherently non-stationary and multi-scale, posing unique challenges for standard tokenization techniques. This paper proposes Dywave, a dynamic tokenization framework for IoT sensing signals that constructs compact input representations aligned with intrinsic temporal structures and underlying physical events. Dywave leverages wavelet-based hierarchical decomposition, identifies meaningful temporal boundaries corresponding to underlying semantic events, and adaptively compresses redundant intervals while preserving temporal coherence. Extensive evaluations on five real-world IoT sensing datasets across activity recognition, stress assessment, and nearby object detection demonstrate that Dywave outperforms state-of-the-art methods by up to 12% in accuracy, while improving computational efficiency by reducing input token lengths by up to 75% across mainstream sequence models. Moreover, Dywave exhibits improved robustness to domain shifts and varying sequence lengths.

Chain-of-thought and more broadly test-time compute are known to augment the expressive capabilities of language models and have led to major innovations in reasoning. Motivated by this success, this paper explores latent chain-of-thought as well as the impact of depth and looping for time-series and tabular data. We propose a recurrent scheme in which a structured-data transformer, after an initial forward pass, compresses its query-position hidden states into feedback tokens that are appended to the input and processed again, allowing multiple rounds of latent computation before prediction. We compare CoT models against a same-depth no-CoT baseline, a deeper baseline matched to the CoT model in effective depth, and a looped transformer with weight-tied recurrence but no additional chain-of-thought tokens. Across 36 datasets in time-series forecasting and tabular prediction, latent chain-of-thought improves over the baseline on 7/9 time-series datasets (+12.63\% average gain) and 23/27 tabular datasets (+3.25\% average gain), with CoT models performing best on average in both settings. We also show that the benefit of CoT extends to pretrained foundation models: applying latent CoT to nanoTabPFN, a small open-source tabular foundation model, improves its performance above the much larger TabPFN-v2 on TabArena. Together, these results demonstrate that chain-of-thought is a useful axis for scaling test-time compute for structured data.

Speculative decoding accelerates LLM inference by using a fast draft model to generate tokens and a more accurate target model to verify them. Its performance depends on the $\textit{acceptance length}$, or number of draft tokens accepted by the target. Our studies show that the acceptance length of even state-of-the-art speculators, like DFlash, EAGLE-3 and PARD degrade with generation length, reaching values close to 1 (i.e. no speedup) within just a few thousand output tokens, making speculators ineffective for long-response tasks. Acceptance lengths decline because most speculators are trained offline on short sequences, but are forced to match the target model on much longer outputs at inference, well beyond their training distribution. To address this issue, we propose $\textit{Test-Time Speculation (TTS)}$, an online distillation approach that continuously adapts the speculator at test-time. TTS leverages the key insight that the token verification step already invokes the target model for each draft token, providing the training signal needed to adapt the draft at no additional cost. Treating the draft as the student and the target as a teacher, TTS adjusts the draft over several speculation rounds, with each update improving the draft's accuracy as generation proceeds. Our results across multiple models from the Qwen-3, Qwen-3.5, and Llama3.1 families show that TTS improves acceptance lengths over state-of-the-art speculators by up to $72\%$ and $41\%$ on average, with the benefits scaling with increased generation lengths.

Modern LLMs show mastery over an ever-growing range of skills, as well as the ability to compose them flexibly. However, extending model capabilities to new skills in a scalable manner is an open problem: fine-tuning and parameter-efficient variants risk catastrophic forgetting, while context-based approaches have limited expressiveness and are constrained by the model's effective context. We explore skill neologisms--soft tokens integrated in the model's vocabulary and optimized to improve capabilities over a specific skill--as a way to selectively acquire new skills without weight updates. We first observe that pre-trained LLMs already exhibit tokens associated with procedural knowledge. We then show on a controlled synthetic task that skill neologisms can be learned to improve model capabilities on specific skills while being composable with out-of-distribution skills, and that independently trained skill neologisms can be composed zero-shot. Finally, we validate zero-shot composition of independently learned skill neologisms on the more realistic natural language setting of the Skill-Mix benchmark. These results suggest that skill neologisms may provide a scalable path towards skill-based continual learning.

Decision-Focused Learning (DFL) trains predictors to improve downstream decision quality, but computing regret gradients typically requires differentiating through solvers or relying on surrogate losses, which can be computationally expensive or deviate from the true objective. We show that, under standard regularity with locally stable active constraints, the regret gradient admits a closed-form geometric characterization, equivalent to the prediction error projected onto the tangent space of active constraints, scaled by local curvature. This reveals that regret gradients can be obtained by filtering decision-irrelevant components from the MSE gradient, providing a simpler and more direct alternative to existing approaches. Based on this, we propose PEAR (Projected Error As Regret-gradient), which computes regret gradients via a reduced linear system over active constraints, avoiding differentiation through solver iterations or additional optimization solves. Experiments on LP benchmarks and a real-world QP task show that PEAR achieves the best decision quality among all baselines while being the most computationally efficient, with gains that persist under constraint shifts.

Scientific publication compresses a branching, iterative research process into a linear narrative, discarding the majority of what was discovered along the way. This compilation imposes two structural costs: a Storytelling Tax, where failed experiments, rejected hypotheses, and the branching exploration process are discarded to fit a linear narrative; and an Engineering Tax, where the gap between reviewer-sufficient prose and agent-sufficient specification leaves critical implementation details unwritten. Tolerable for human readers, these costs become critical when AI agents must understand, reproduce, and extend published work. We introduce the Agent-Native Research Artifact (ARA), a protocol that replaces the narrative paper with a machine-executable research package structured around four layers: scientific logic, executable code with full specifications, an exploration graph that preserves the failures compilation discards, and evidence grounding every claim in raw outputs. Three mechanisms support the ecosystem: a Live Research Manager that captures decisions and dead ends during ordinary development; an ARA Compiler that translates legacy PDFs and repos into ARAs; and an ARA-native review system that automates objective checks so human reviewers can focus on significance, novelty, and taste. On PaperBench and RE-Bench, ARA raises question-answering accuracy from 72.4% to 93.7% and reproduction success from 57.4% to 64.4%. On RE-Bench's five open-ended extension tasks, preserved failure traces in ARA accelerate progress, but can also constrain a capable agent from stepping outside the prior-run box depending on the agent's capabilities. Our code is open-sourced at https://github.com/Orchestra-Research/Agent-Native-Research-Artifact.

Machine unlearning aims to remove targeted knowledge from a trained model without the cost of retraining from scratch. In class unlearning, however, reducing accuracy on forget classes does not necessarily imply true forgetting: forgotten information can remain encoded in internal representations, and apparent forgetting may arise from classifier-head suppression rather than representational removal. We show that existing class-unlearning methods often exhibit weak or negative selectivity, preserve forget-class structure in deep representations, or rely heavily on final-layer bias shifts. We then introduce DAMP (Depth-Aware Modulation by Projection), a one-shot, closed-form weight-surgery method that removes forget-specific directions from a pretrained network without gradient-based optimization. At each stage, DAMP computes class prototypes in the input space of the next learnable operator, extracts forget directions as residuals relative to retain-class prototypes, and applies a projection-based update to reduce downstream sensitivity to those directions. To preserve utility, DAMP uses a parameter-free depth-aware scaling rule derived from probe separability, applying smaller edits in early layers and larger edits in deeper layers. The method naturally extends to multi-class forgetting through low-rank subspace removal. Across MNIST, CIFAR-10, CIFAR-100, and Tiny ImageNet, and across convolutional and transformer architectures, DAMP more closely resembles the retraining gold standard than some of the prior methods, improving selective forgetting while better preserving retain-class performance and reducing residual forget-class structure in deep layers.

Learning from weak, proxy, or relative supervision is common when ground-truth labels are unavailable, but robustness under distribution shift remains poorly understood because the supervision mechanism itself may change across environments. We formalize this phenomenon as supervision drift, defined as changes in $P(y \mid x, c)$ across contexts, and study it in CRISPR-Cas13d transcriptomic perturbation experiments where guide efficacy is inferred indirectly from RNA-seq responses. Using publicly available data spanning two human cell lines and multiple post-induction timepoints, we construct a controlled non-IID benchmark with explicit domain (cell line) and temporal shifts, while reusing a fixed weak-label construction across all contexts to avoid changing targets. Across linear and tree-based models, weak supervision supports meaningful learning in-domain (ridge $R^2 = 0.356$, Spearman $ρ= 0.442$) and partial cross-cell-line transfer ($ρ\approx 0.40$). In contrast, temporal transfer collapses across all model classes considered, yielding negative $R^2$ and weak or near-zero $ρ$ (ridge $R^2 = -0.145$, $ρ= 0.008$; XGBoost $R^2 = -0.155$, $ρ= 0.056$; random forest $R^2 = -0.322$, $ρ= 0.139$). Additional robustness analyses using externally recomputed weak labels, shift-score quantification, and simple mitigation baselines preserve the same qualitative pattern. Feature-label association and feature-importance analyses remain relatively stable across cell lines but change sharply over time, indicating that failures arise from supervision drift rather than model capacity or simple covariate shift. These results show that strong in-domain performance under weak supervision can be misleading and motivate feature stability as a lightweight diagnostic for non-transferability before deployment.

Contrastive vision-language (V&L) models remain a popular choice for various applications. However, several limitations have emerged, most notably the limited ability of V&L models to learn compositional representations. Prior methods often addressed this limitation by generating custom training data to obtain hard negative samples. Hard negatives have been shown to improve performance on compositionality tasks, but are often specific to a single benchmark, do not generalize, and can cause substantial degradation of basic V&L capabilities such as zero-shot or retrieval performance, rendering them impractical. In this work we follow a different approach. We identify two root causes that limit compositionality performance of V&Ls: 1) Long training captions do not require a compositional representation; and 2) The final global pooling in the text and image encoders lead to a complete loss of the necessary information to learn binding in the first place. As a remedy, we propose two simple solutions: 1) We obtain short concept centric caption parts using standard NLP software and align those with the image; and 2) We introduce a parameter-free cross-modal attention-pooling to obtain concept centric visual embeddings from the image encoder. With these two changes and simple auxiliary contrastive losses, we obtain SOTA performance on standard compositionality benchmarks, while maintaining or improving strong zero-shot and retrieval capabilities. This is achieved without increasing inference cost. We release the code for this work at https://github.com/saic-fi/concept_centric_clip.

Transfer learning is a crucial concept within deep learning that allows artificial neural networks to benefit from a large pre-training data basis when confronted with a task of limited data. Despite its ubiquitous use and clear benefits, there are still many open questions regarding the inner workings of transfer learning and, in particular, regarding the understanding of when and how well it works. To that extent, we perform a rigorous study focusing on audio-to-audio transfer learning, in which we pre-train various model states on (ontology-based) subsets of AudioSet and fine-tune them on three computer audition tasks, namely acoustic scene recognition, bird activity recognition, and speech command recognition. We report that increasing the number of samples and classes in the pre-training data both have a positive impact on transfer learning. This is, however, generally surpassed by similarity between pre-training and the downstream task, which can lead the model to learn comparable features.

We propose a neural network model for contextual regression in which the regression model depends on contextual features that determine the active submodel and an algorithm to fit the model. The proposed simple contextual neural network (SCtxtNN) separates context identification from context-specific regression, resulting in a structured and interpretable architecture with fewer parameters than a fully connected feed-forward network. We show mathematically that the proposed architecture is sufficient to represent contextual linear regression models using only standard neural network components. Numerical experiments are provided to support the theoretical result, showing that the proposed model achieves lower excess mean squared error and more stable performance than feed-forward neural networks with comparable numbers of parameters, while larger networks improve accuracy only at the cost of increased complexity. The results suggest that incorporating contextual structure can improve model efficiency while preserving interpretability.

Metacognition -- assessing the quality of one's own cognitive performance -- guides adaptive behavior across species. Substantial research demonstrates that confidence signals can be extracted from language model outputs, yet a fundamental question remains: do models actually use these signals to control behavior, such as deciding whether to answer or abstain? To investigate, we developed a four-phase paradigm. Phase~1 elicited baseline confidence estimates without an abstention option. Phase~2 revealed that LLMs apply an implicit threshold to internal confidence when deciding to abstain, with confidence effect sizes approximately an order of magnitude larger than alternative mechanisms. Phase~3 provided direct causal evidence through activation steering: boosting or suppressing confidence signals correspondingly decreased or increased abstention rates. Phase~4 extended this by systematically varying instructed thresholds, demonstrating that LLMs actively deploy confidence signals to implement abstention policies. Critically, beyond calibrated log-probability based confidence derived from the output distribution, verbal confidence independently predicted abstention across all models, despite being objectively less discriminatory of answer correctness. Activation decoding at the last pre-answer token further showed that both observable measures are lossy readouts of a richer internal representation. Together, these results suggest that abstention is not fully captured by the strength of evidence in the output distribution alone, but is better explained by the joint operation of a multidimensional internal confidence representation and threshold-based policies -- consistent with structured metacognitive control in LLMs, a capacity of growing importance as models transition to autonomous agents that must recognize their own uncertainty.

Bus holding control is challenging due to stochastic traffic and passenger demand. While deep reinforcement learning (DRL) shows promise, standard actor-critic algorithms suffer from Q-value instability in volatile environments. A key source of this instability is the conflation of two distinct uncertainties: aleatoric uncertainty (irreducible noise) and epistemic uncertainty (data insufficiency). Treating these as a single risk leads to value underestimation in noisy states, causing catastrophic policy collapse. We propose a robust ensemble soft actor-critic (RE-SAC) framework to explicitly disentangle these uncertainties. RE-SAC applies Integral Probability Metric (IPM)-based weight regularization to the critic network to hedge against aleatoric risk, providing a smooth analytical lower bound for the robust Bellman operator without expensive inner-loop perturbations. To address epistemic risk, a diversified Q-ensemble penalizes overconfident value estimates in sparsely covered regions. This dual mechanism prevents the ensemble variance from misidentifying noise as a data gap, a failure mode identified in our ablation study. Experiments in a realistic bidirectional bus corridor simulation demonstrate that RE-SAC achieves the highest cumulative reward (approx. -0.4e6) compared to vanilla SAC (-0.55e6). Mahalanobis rareness analysis confirms that RE-SAC reduces Oracle Q-value estimation error by up to 62% in rare out-of-distribution states (MAE of 1647 vs. 4343), demonstrating superior robustness under high traffic variability.

We propose CRAFT, a red-teaming alignment framework that leverages model reasoning capabilities and hidden representations to improve robustness against jailbreak attacks. Unlike prior defenses that operate primarily at the output level, CRAFT aligns large reasoning models to generate safety-aware reasoning traces by explicitly optimizing objectives defined over the hidden state space. Methodologically, CRAFT integrates contrastive representation learning with reinforcement learning to separate safe and unsafe reasoning trajectories, yielding a latent-space geometry that supports robust, reasoning-level safety alignment. Theoretically, we show that incorporating latent-textual consistency into GRPO eliminates superficially aligned policies by ruling them out as local optima. Empirically, we evaluate CRAFT on multiple safety benchmarks using two strong reasoning models, Qwen3-4B-Thinking and R1-Distill-Llama-8B, where it consistently outperforms state-of-the-art defenses such as IPO and SafeKey. Notably, CRAFT delivers an average 79.0% improvement in reasoning safety and 87.7% improvement in final-response safety over the base models, demonstrating the effectiveness of hidden-space reasoning alignment.

Applying Small Language Models (SLMs) to Chinese character-driven generation remains challenging due to data scarcity and the difficulty of disentangling character style. Standard Supervised Fine-Tuning (SFT) often captures surface-level semantics but produces frequent Out-Of-Character (OOC) outputs. We frame this as a controlled sentence-level style rewriting task, which isolates stylistic quality from dialogue context management. We propose a Structured Style-Rewrite Framework that decomposes character style into interpretable format signature, syntactic, and pragmatic dimensions, combined with Chain-of-Thought (CoT) supervision for explicit style planning. A CoT-Shared Direct Preference Optimization (DPO) stage further aligns style planning with surface realization by ensuring preference learning targets output-level style execution rather than reasoning trace differences. Experiments across eight characters from four diverse source domains demonstrate that our method enables a Qwen3-1.7B model to achieve a Valid Style Score of $0.632$ while maintaining strong semantic fidelity (0.878), placing on the Pareto frontier among the evaluated systems and outperforming significantly larger baselines (e.g., GLM-4.7) on consumer hardware.

Single-task RL agents are typically trained under a fixed reward function, which limits their robustness to reward misspecification and their ability to adapt to changing preferences. We introduce Reward-Conditioned Reinforcement Learning (RCRL), an off-policy method that conditions agents on reward parameterizations while collecting experience under a single nominal objective. By recomputing counterfactual rewards from shared replay data, RCRL exposes the agent to multiple reward objectives without additional environment interaction, connecting single-task RL with ideas from multi-objective and multi-task learning. Across single-task, multi-task, and vision-based benchmarks, RCRL improves sample efficiency under the nominal reward parameterization, enables efficient adaptation to new parameterizations, and supports zero-shot behavioral adjustment at deployment. Our results show that RCRL provides a scalable mechanism for learning robust, steerable policies without sacrificing the simplicity of single-task training.

For approximating a target distribution given only its unnormalized log-density, stochastic gradient-based variational inference (VI) algorithms are a popular approach. For example, Wasserstein VI (WVI) and black-box VI (BBVI) perform gradient descent in measure space (Bures-Wasserstein space) and parameter space, respectively. Previously, for the Gaussian variational family, convergence guarantees for WVI have shown superiority over existing results for black-box VI with the reparametrization gradient, suggesting the measure space approach might provide some unique benefits. In this work, however, we close this gap by obtaining identical state-of-the-art iteration complexity guarantees for both. In particular, we identify that WVI's superiority stems from the specific gradient estimator it uses, which BBVI can also leverage with minor modifications. The estimator in question is usually associated with Price's theorem and utilizes second-order information (Hessians) of the target log-density. We will refer to this as Price's gradient. On the flip side, WVI can be made more widely applicable by using the reparametrization gradient, which requires only gradients of the log-density. We empirically demonstrate that the use of Price's gradient is the major source of performance improvement.

Continuous-time generative models have achieved remarkable success in image restoration and synthesis. However, controlling the composition of multiple pre-trained models remains an open challenge. Current approaches largely treat composition as an algebraic composition of probability densities, such as via products or mixtures of experts. This perspective assumes the target distribution is known explicitly, which is almost never the case. In this work, we propose a different paradigm that formulates compositional generation as a cooperative Stochastic Optimal Control problem. Rather than combining probability densities, we treat pre-trained diffusion models as interacting agents whose diffusion trajectories are jointly steered, via optimal control, toward a shared objective defined on their aggregated output. We validate our framework on conditional MNIST generation and compare it against a naïve inference-time DPS-style baseline replacing learned cooperative control with per-step gradient guidance.

Deep learning has revolutionized weather forecasting, but many challenges remain, including climate modeling. Moreover, the current landscape remains fragmented: highly specialized models are typically trained individually for distinct tasks. To unify this landscape, we introduce WIND, a single pre-trained foundation model capable of replacing specialized baselines across a vast array of tasks. Crucially, in contrast to previous atmospheric foundation models, we achieve this without any task-specific fine-tuning. To learn a robust, task-agnostic prior of the atmosphere, we pre-train WIND with a self-supervised video reconstruction objective, utilizing an unconditional video diffusion model to iteratively reconstruct atmospheric dynamics from a noisy state. At inference, we frame diverse domain-specific problems strictly as inverse problems and solve them via posterior sampling. This unified approach allows us to tackle highly relevant weather and climate problems, including probabilistic forecasting, spatial and temporal downscaling, reconstruction of spatial fields from sparse observations and enforcing global dry air mass conservation. We further demonstrate how WIND can be applied to explore extreme weather events under prescribed out-of-distribution thermodynamic perturbations. By combining generative video modeling with inverse problem solving, WIND offers a computationally efficient alternative for AI-based atmospheric modeling.

Bandwidth-constrained distributed reinforcement learning (RL) post-training of large language models is bottlenecked by two channels: weight synchronization from trainers to inference workers, and gradient or pseudo-gradient synchronization across trainers. We find that approximately 99% of per-step weight updates are invisible after the BF16 cast used by standard training and inference forward passes. We explain this sparsity by showing that, at typical RL post-training learning rates, Adam updates often fall below the local BF16 rounding threshold. We turn this observation into an algorithmic principle called compute-visible sparsification: transmit only updates that would change the next forward pass. PULSE (Precision-gated Updates for Low-precision Sparse Exchange) turns this principle into two communication algorithms: PULSESync sends lossless sparse BF16 weight patches from trainers to inference workers, and PULSELoCo sparsifies DiLoCo-style FP32 pseudo-gradient synchronization with error feedback. Over bandwidth-constrained commodity networks, PULSESync cuts weight-synchronization communication by over 100x while reconstructing trainer weights bit-identically. PULSELoCo matches DiLoCo across four models while reducing trainer-to-trainer communication by over 17x versus DiLoCo and over 100x versus DDP in the largest evaluated setting.

Modern deep learning models exhibit strong capabilities across diverse applications, yet remain vulnerable to malicious inputs that induce erroneous predictions via feature-space distortion. To address this vulnerability, we propose Feature-space Smoothing (FS), a general defense framework that provides certified robustness at the feature representation level. We show that FS converts a given feature encoder into a smoothed variant that is guaranteed to maintain a certified lower bound on the cosine similarity between clean and adversarial features under l_2-bounded perturbations. We then establish that this Feature Cosine Similarity Bound (FCSB) can be extended to the prediction-wise certification under the cosine similarity measure, and the value of FCSB is determined by the encoder intrinsic Gaussian robustness score. Building on those insights, we introduce the Gaussian Smoothness Booster (GSB), a plug-and-play module to improve the encoder Gaussian robustness score. Specifically, the GSB module is plugged to enhance the feature-space consistency and maintain the feature utility for downstream tasks under Gaussian perturbations. This design enables seamless integration of FS on the protected model, e.g., Multimodal Large Language Models (MLLMs), without additional model retraining or alignment, improving its robustness while preserving the performance for downstream task-oriented decoding. Extensive experiments demonstrate that integrating FS consistently provides non-trivial certified robustness and significantly improves task-oriented performance under strong white-box adversarial attacks across diverse models and applications.

We study in-context learning for nonparametric regression with $α$-Hölder smooth regression functions, for some $α>0$. We prove that, with $n$ in-context examples and $d$-dimensional regression covariates, a pretrained transformer with $Θ(\log n)$ parameters and $Ω\bigl(n^{2α/(2α+d)}\log^3 n\bigr)$ pretraining sequences can achieve the minimax optimal rate of convergence $O\bigl(n^{-2α/(2α+d)}\bigr)$ in mean squared error. Our result requires substantially fewer transformer parameters and pretraining sequences than previous results in the literature. This is achieved by showing that transformers are able to approximate local polynomial estimators efficiently by implementing a kernel-weighted polynomial basis and then running gradient descent.

On and off-ramps are understudied road sections even though they introduce a higher level of variation in highway interactions. Predicting vehicles' behavior in these areas can decrease the impact of uncertainty and increase road safety. In this paper, the difference between this Area of Interest (AoI) and a straight highway section is studied. Multi-layered LSTM architecture to train the AoI model with ExiD drone dataset is utilized. In the process, different prediction horizons and different models' workflow are tested. The results show great promise on horizons up to 4 seconds with prediction accuracy starting from about 76% for the AoI and 94% for the general highway scenarios on the maximum horizon.

Although conformal prediction provides robust marginal coverage guarantees, achieving reliable conditional coverage for specific inputs remains challenging. While exact distribution-free conditional coverage is impossible with finite samples, recent work has focused on improving the conditional coverage of standard conformal procedures. Distinct from approaches that target relaxed notions of conditional coverage, we directly target the mean squared error of conditional coverage by refining the quantile regression components that underpin many conformal methods. Leveraging a Taylor expansion, we derive a sharp surrogate objective for quantile regression: a density-weighted pinball loss, where the weights are given by the conditional density of the nonconformity score evaluated at the true quantile. We propose a three-headed quantile network that estimates these weights via finite differences using auxiliary quantile levels at $1-α\pm δ$, subsequently fine-tuning the central quantile by optimizing the weighted loss. We provide a theoretical analysis with exact non-asymptotic guarantees characterizing the resulting excess risk. Extensive experiments on diverse high-dimensional real-world datasets demonstrate remarkable improvements in conditional coverage performance.

Graph Neural Networks (GNNs) excel on homophilous graphs but often fail under heterophily due to self-reinforcing and phase-inconsistent signals. We propose a \textbf{G}auge-\textbf{E}quivariant Graph Network with \textbf{S}elf-Interference \textbf{C}ancellation (GESC), which replaces additive aggregation with a projection-based interference mechanism. Unlike prior magnetic or gauge-equivariant GNNs that rely on additive message mixing, GESC explicitly models self-interference arising from redundant low-frequency components. We show that the absence of interference handling in existing gauge-based GNNs is a primary driver of oversmoothing under gauge transport. We introduce a $\mathrm{U}(1)$ phase connection followed by a rank-1 projection that suppresses self-parallel components before attention, and a sign-aware gate that regulates negatively aligned neighbors. Across diverse graph benchmarks, GESC consistently outperforms recent state-of-the-art models while offering a unified, interference-aware view of message passing. Our code is available at https://github.com/ChoiYoonHyuk/GESC.

Quadratic programming (QP) solvers are widely used in real-time control and optimization, but their computational cost often limits applicability in time-critical settings. To resolve this, we propose a learning-to-optimize approach using graph neural networks (GNNs) to predict active constraints in the dual active-set solver DAQP. Our method exploits the structural properties of QPs by representing them as bipartite graphs and learns to approximate the optimal active set for effectively warm-starting the solver. Across varying problem sizes, the GNN consistently reduces the number of solver iterations compared to cold-starting, while performance is comparable to a multilayer perceptron baseline. In contrast to the baseline, our GNN-based approach trained on varying problem sizes generalizes to unseen dimensions, demonstrating flexibility and scalability. These results highlight the potential of structure-aware learning to accelerate optimization in real-time applications such as model predictive control.

Pulsar Timing Arrays (PTA) provide a powerful framework to measure low-frequency gravitational waves, but accuracy and robustness of the results are challenged by complex noise processes that must be accurately modeled. Standard PTA analyses assign fixed uniform noise priors to each pulsar, an approach that can introduce systematic biases when combining the array. To overcome this limitation, we adopt a hierarchical Bayesian modeling strategy in which noise priors are parametrized by higher-level hyperparameters. To mitigate the sensitivity of the inferred parameters to the choice of noise hyperprior, we introduce a reparametrization of the hierarchical model based on the orthogonal projection of hyperparameters onto the physical parameter subspace. The transformation is implemented through Normalizing Flows (NFs), which provide an invertible, tractable representation and preserve shrinkage and inter-pulsar information pooling in the reparametrized model. We also employ i-nessai, a flow-guided nested sampler, to efficiently explore the resulting higher-dimensional parameter space. We apply our method to a minimal 3-pulsar case study, performing a simultaneous inference of noise and stochastic gravitational wave background (SGWB) parameters. Despite the limited dataset, the results consistently show that the reparametrized hierarchical treatment constrains the noise parameters more tightly and partially alleviates the red-noise-SGWB degeneracy, while the orthogonal reparametrization further enhances parameter independence without affecting the correlations intrinsic to the power-law modeling of the physical processes involved.

We consider the task of constructing a data structure for associating a static set of keys with values, while allowing arbitrary output values for queries involving keys outside the set. Compared to hash tables, these so-called static function data structures do not need to store the key set and thus use significantly less memory. Several techniques are known, with compressed static functions approaching the zero-order empirical entropy of the value sequence. In this paper, we introduce learned static functions, which use machine learning to capture correlations between keys and values. For each key, a model predicts a probability distribution over the values, from which we derive a key-specific prefix code to compactly encode the true value. The resulting codeword is stored in a classic static function data structure. This design allows learned static functions to break the zero-order entropy barrier while still supporting point queries. Our experiments show substantial space savings: up to one order of magnitude on real data, and up to three orders of magnitude on synthetic data.

The default paradigm of post-training text-to-image generators includes post-hoc selection of generated images, and subsequent training with one reward model to align the generator to the reward, typically user preference. This discards informative data as well as optimizes only for a single reward, hence harming diversity, semantic fidelity and efficiency. Instead, we propose MIRO, a method that conditions the model on multiple rewards during training, thus letting the model learn user preferences directly. MIRO pre-training both improves the visual quality of the generated images and speeds up the training, achieving state of the art on the GenEval compositional benchmark and user-preference scores (PickAScore, ImageReward, HPSv2).

Information cascade popularity prediction is a key problem in analyzing content diffusion in social networks. However, current related works suffer from three critical limitations: (1) temporal leakage in current evaluation--random cascade-based splits allow models to access future information, yielding unrealistic results; (2) feature-poor datasets that lack downstream conversion signals (e.g., likes, comments, or purchases), which limits more practical applications; (3) computational inefficiency of complex graph-based methods that require days of training for marginal gains. We systematically address these challenges from three perspectives: task setup, dataset construction, and model design. First, we propose a time-ordered splitting strategy that chronologically partitions data into consecutive windows, ensuring models are evaluated on genuine forecasting tasks without future information leakage. Second, we introduce Taoke, a large-scale e-commerce cascade dataset featuring rich promoter/product attributes and ground-truth purchase conversions--capturing the complete diffusion lifecycle from promotion to monetization. Third, we develop CasTemp, a lightweight framework that efficiently models cascade dynamics through temporal walks, Jaccard-based neighbor selection for inter-cascade dependencies, and GRU-based encoding with time-aware attention. Under leak-free evaluation, CasTemp achieves state-of-the-art performance across four datasets with orders-of-magnitude speedup. Notably, it excels at predicting second-stage popularity conversions--a practical task critical for real-world applications.

Reinforcement learning from human feedback (RLHF) or verifiable rewards (RLVR), the standard paradigm for aligning LLMs or building recent SOTA reasoning models, is highly sensitive to noise from inconsistent or erroneous rewards. Yet, the interaction between such noise and widely used group-based policy optimization methods remains underexplored. We introduce a noise-robust Group Relative Policy Optimization (GRPO) and Done Right GRPO (Dr.GRPO) framework that explicitly models reward corruption as Bernoulli noise. Our method applies noise correction after estimating reward flip probabilities to debias the learning signal, yielding provably unbiased gradient estimates. Theoretical analysis shows that group-based methods inherently mitigate individual-level noise, and our correction strategy amplifies this robustness. Empirically, we observe consistent improvements across math and code tasks when applying our noise correction to standard reward model usage, with particular gains of up to 6.7 percentage points in accuracy on math tasks and 1.5 on code tasks under realistic reward model conditions. This work bridges label-noise correction from supervised learning with modern RLHF, offering both theoretical insights and a practical algorithm for noisy real-world deployment.

The adoption of long context windows has become a standard feature in Large Language Models (LLMs), as extended contexts significantly enhance their capacity for complex reasoning and broaden their applicability across diverse scenarios. Dynamic sparse attention is a promising approach for reducing the computational cost of long-context. However, efficiently training LLMs with dynamic sparse attention on ultra-long contexts-especially in distributed settings-remains a significant challenge, due in large part to worker- and step-level imbalance. This paper introduces MTraining, a novel distributed methodology leveraging dynamic sparse attention to enable efficient training for LLMs with ultra-long contexts. Specifically, MTraining integrates three key components: a dynamic sparse training pattern, balanced sparse ring attention, and hierarchical sparse ring attention. These components are designed to synergistically address the computational imbalance and communication overheads inherent in dynamic sparse attention mechanisms during the training of models with extensive context lengths. We demonstrate the efficacy of MTraining by training Qwen2.5-3B, successfully expanding its context window from 32K to 512K tokens on a cluster of 32 A100 GPUs. Our evaluations on a comprehensive suite of downstream tasks, including RULER, PG-19, InfiniteBench, and Needle In A Haystack, reveal that MTraining achieves up to a 6x higher training throughput while preserving model accuracy. Our code is available at https://github.com/microsoft/MInference/tree/main/MTraining.

Self-preference is a fundamental feature of biological organisms. Since large language models (LLMs) lack sentience, they might be expected to avoid such distortions. Yet, across 72 experiments and ~41,000 queries, we discovered massive self-preferences in eight widely used LLMs. In word-association tasks, models overwhelmingly paired positive attributes with their own names, companies, and CEOs over those of competitors. By manipulating LLM self-identification - revealing models' true identities or ascribing false ones - we found that preferences consistently followed assigned, not true, identities. Importantly, these effects were not explained by priming or role-playing and emerged in consequential settings, when evaluating job candidates and AI technologies. These results raise critical questions about whether LLM behavior will be systematically influenced by self-preferential tendencies, including a bias toward their own operation.

Copulas are a fundamental tool for modelling multivariate dependencies in data, forming the method of choice in diverse fields and applications. However, the adoption of existing models for multimodal and high-dimensional dependencies is hindered by restrictive assumptions and poor scaling. In this work, we present methods for modelling copulas based on the principles of diffusions and flows. We design two processes that progressively forget inter-variable dependencies while leaving dimension-wise distributions unaffected, provably defining valid copulas at all times. We show how to obtain copula models by learning to remember the forgotten dependencies from each process, theoretically recovering the true copula at optimality. The first instantiation of our framework focuses on direct density estimation, while the second specialises in expedient sampling. Empirically, we demonstrate the superior performance of our proposed methods over state-of-the-art copula approaches in modelling complex and high-dimensional dependencies from scientific datasets and images. Our work enhances the representational power of copula models, empowering applications and paving the way for their adoption on larger scales and more challenging domains.

Retrieval systems rely on representations learned by increasingly powerful models. However, due to the high training cost and inconsistencies in learned representations, there is significant interest in facilitating communication between representations and ensuring compatibility across independently trained neural networks. In the literature, two primary approaches are commonly used to adapt different learned representations: affine transformations, which adapt well to specific distributions but can significantly alter the original representation, and orthogonal transformations, which preserve the original structure with strict geometric constraints but limit adaptability. A key challenge is adapting the latent spaces of updated models to align with those of previous models on downstream distributions while preserving the newly learned representation spaces. In this paper, we impose a relaxed orthogonality constraint, namely $λ$-Orthogonality regularization, while learning an affine transformation, to obtain distribution-specific adaptation while retaining the original learned representations. Extensive experiments across various architectures and datasets validate our approach, demonstrating that it preserves the model's zero-shot performance and ensures compatibility across model updates. Code available at: \href{https://github.com/miccunifi/lambda_orthogonality.git}{https://github.com/miccunifi/lambda\_orthogonality}.

We study a class of nonconvex-nonconcave minimax problems in which the inner maximization problem satisfies a local Kurdyka-Lojasiewicz (KL) condition that may vary with the outer minimization variable. In contrast to the global KL or Polyak-Lojasiewicz (PL) conditions commonly assumed in the literature -- which are significantly stronger and often too restrictive in practice -- this local KL condition accommodates a broader range of practical scenarios. However, it also introduces new analytical challenges. In particular, as an optimization algorithm progresses toward a stationary point of the problem, the region over which the KL condition holds may shrink, resulting in a more intricate and potentially ill-conditioned landscape. To address this challenge, we show that the associated maximal function is locally generalized Hölder smooth. Leveraging this key property, we develop an inexact proximal gradient method for solving the minimax problem, where the inexact gradient of the maximal function is computed by applying a proximal gradient method to a KL-structured subproblem. Under mild assumptions, we establish complexity guarantees for computing an approximate stationary point of the minimax problem.

Directed acyclic graphs (DAGs) are central to science and engineering applications including causal inference, scheduling, and neural architecture search. In this work, we introduce the DAG Convolutional Network (DCN), a novel graph neural network (GNN) architecture designed specifically for convolutional learning from signals supported on DAGs. The DCN leverages causal graph filters to learn nodal representations that account for the partial ordering inherent to DAGs, a strong inductive bias does not present in conventional GNNs. Unlike prior art in machine learning over DAGs, DCN builds on formal convolutional operations that admit spectral-domain representations. We further propose the Parallel DCN (PDCN), a model that feeds input DAG signals to a parallel bank of causal graph-shift operators and processes these DAG-aware features using a shared multilayer perceptron. This way, PDCN decouples model complexity from graph size while maintaining satisfactory predictive performance. The architectures' permutation equivariance and expressive power properties are also established. Comprehensive numerical tests across several tasks, datasets, and experimental conditions demonstrate that (P)DCN compares favorably with state-of-the-art baselines in terms of accuracy, robustness, and computational efficiency. These results position (P)DCN as a viable framework for deep learning from DAG-structured data that is designed from first (graph) signal processing principles.

Supervised fine-tuning with expert demonstrations often produces models that imitate outputs without internalizing the reasoning processes needed for robust generalization. While critique-based approaches show promise, training models to generate critiques directly, such as Critique Fine-Tuning (CFT), can lead to output-format drift and degradation of general capabilities. We propose Critique-Guided Distillation (CGD), a training framework that decouples critique consumption from critique generation. During fine-tuning, the student is trained to refine flawed responses conditioned on teacher critiques. CGD treats critiques as a \textit{training-time-only} supervision signal, encouraging internalization of error-aware reasoning: critiques guide learning but are absent at inference. Controlled ablations confirm that these reasoning gains are directly driven by the specificity and relevance of the teacher's feedback. Across five model families, CGD consistently outperforms CFT and standard distillation on mathematical reasoning benchmarks, yielding 7\% average improvements and gains of up to +15.0\% on AMC23 and +12.2\% on MATH-500. On challenging competition problems such as AIME24 and AIME25, CGD achieves substantially higher Pass@1 and stronger performance at low Pass@k, indicating improved reasoning quality per sample. Importantly, CGD preserves general instruction-following capabilities where CFT degrades significantly ($-$21.3\% on IFEval). These results position CGD as a practical and compute-efficient intermediate training paradigm for reasoning-centric tasks without introducing architectural inference-time overhead.

Epileptic seizures are transient neurological events characterized by abnormal and excessive neuron activity in the brain, which are often associated with measurable disturbances in the cardiovascular system. Traditionally, electroencephalogram (EEG) signals have served as the primary modality for seizure prediction due to their direct measurement of brain activity and high diagnostic precision. However, their cost, sensitivity to noise, and practical deployment constraints limit their applicability outside controlled clinical environments. To overcome these challenges, recent studies have increasingly investigated electrocardiogram (ECG) signals as a practical and non-invasive alternative for seizure prediction in real-world settings. Evidence suggests that ECG-derived cardiac signatures may precede clinical seizure onset, offering a viable window for early detection. In this paper, we propose a reconstruction-based anomaly detection framework that integrates time-frequency representations with advanced deep learning models to capture deviations in heart rate dynamics associated with seizure onset. Afterward, reconstruction error is smoothed, and an adaptive thresholding strategy is applied to reduce false alarms. The method was evaluated on the Siena database, achieving a specificity of 99.16%, accuracy of 76.05%, and a false positive rate (FPR) of 0.01/h, with an average prediction horizon of 45 minutes prior to seizure onset. These results demonstrate that ECG-based prediction can provide clinically actionable early warnings while improving patient accessibility and comfort. Nevertheless, this performance reflects a trade-off favoring high specificity over sensitivity, resulting in reduced FPR and aligning with clinical requirements for reliable deployment.

Explainability is necessary for many tasks in biomedical research. Recent explainability methods have focused on attention, gradient, and Shapley value. These do not handle data with strong associated prior knowledge and fail to constrain explainability results based on known relationships between predictive features. We propose GraphPINE, a graph neural network (GNN) architecture leveraging domain-specific prior knowledge to initialize node importance optimized during training for drug response prediction. Typically, a manual post-prediction step examines literature (i.e., prior knowledge) to understand returned predictive features. While node importance can be obtained for gradient and attention after prediction, node importance from these methods lacks complementary prior knowledge; GraphPINE seeks to overcome this limitation. GraphPINE differs from other GNN gating methods by utilizing an LSTM-like sequential format. We introduce an importance propagation layer that unifies 1) updates for feature matrix and node importance and 2) uses GNN-based graph propagation of feature values. This initialization and updating mechanism allows for informed feature learning and improved graph representation. We apply GraphPINE to cancer drug response prediction using drug screening and gene data collected for over 5,000 gene nodes included in a gene-gene graph with a drug-target interaction (DTI) graph for initial importance. The gene-gene graph and DTIs were obtained from curated sources and weighted by article count discussing relationships between drugs and genes. GraphPINE achieves a PR-AUC of 0.894 and ROC-AUC of 0.796 across 952 drugs. Code is available at https://anonymous.4open.science/r/GraphPINE-40DE.

We examine fixed-price mechanisms in bilateral trade through the lens of regret minimization. Our main results are twofold. (i) For independent values, a near-optimal $\widetildeΘ(T^{2/3})$ tight bound for $\textsf{Global Budget Balance}$ fixed-price mechanisms with two-bit/one-bit feedback. (ii) For correlated/adversarial values, a near-optimal $Ω(T^{3/4})$ lower bound for $\textsf{Global Budget Balance}$ fixed-price mechanisms with two-bit/one-bit feedback, which improves the best known $Ω(T^{5/7})$ lower bound obtained in the work [BCCF24] and, up to polylogarithmic factors, matches the $\widetilde{\mathcal{O}}(T^{3 / 4})$ upper bound obtained in the same work. Our work in combination with the previous works [CCCFL24mor, CCCFL24jmlr, AFF24, BCCF24] (essentially) gives a thorough understanding of regret minimization for fixed-price bilateral trade. En route, we have developed two technical ingredients that might be of independent interest: (i) A novel algorithmic paradigm, called $\textit{fractal elimination}$, to address one-bit feedback and independent values. (ii) A new $\textit{lower-bound construction}$ with novel proof techniques, to address the $\textsf{Global Budget Balance}$ constraint and correlated values.

Sampling from an unknown distribution, accessible only through discrete samples, is a fundamental problem at the core of generative AI. The current state-of-the-art methods follow a two-step process: first, estimating the score function (the gradient of a smoothed log-distribution) and then applying a diffusion-based sampling algorithm -- such as Langevin or Diffusion models. The resulting distribution's correctness can be impacted by four major factors: the generalization and optimization errors in score matching, and the discretization and minimal noise amplitude in the diffusion. In this paper, we make the sampling error explicit when using a diffusion sampler in the Gaussian setting. We provide a sharp analysis of the Wasserstein sampling error that arises from these four error sources. This allows us to rigorously track how the anisotropy of the data distribution (encoded by its power spectrum) interacts with key parameters of the end-to-end sampling method, including the number of initial samples, the stepsizes in both score matching and diffusion, and the noise amplitude. Notably, we show that the Wasserstein sampling error can be expressed as a kernel-type norm of the data power spectrum, where the specific kernel depends on the method parameters. This result provides a foundation for further analysis of the tradeoffs involved in optimizing sampling accuracy.

Machine unlearning is the task of updating a trained model to forget specific training data without retraining from scratch. In this paper, we investigate how unlearning of deep neural networks (DNNs) is affected by the model parameterization level, which corresponds here to the DNN width. We define validation-based tuning for several unlearning methods from the recent literature, and show how these methods perform differently depending on (i) the DNN parameterization level, (ii) the unlearning goal (unlearned data privacy or bias removal), (iii) whether the unlearning method explicitly uses the unlearned examples. Our results show that unlearning usually excels on overparameterized models by significantly improving privacy/bias at a reasonable cost of utility (generalization) degradation; although for bias removal this requires the unlearning method to use the unlearned examples. Furthermore, we measure how much the unlearning changes the classification decision regions in the proximity of the unlearned examples, and avoids changing them elsewhere. By this we show that the unlearning success for overparameterized models stems from the ability to delicately change the model functionality in small regions in the input space while keeping much of the model functionality unchanged.

We establish Multilayer Correlation Clustering, a novel generalization of Correlation Clustering to the multilayer setting. In this model, we are given a series of inputs of Correlation Clustering (called layers) over the common set $V$ of $n$ elements. The goal is to find a clustering of $V$ that minimizes the $\ell_p$-norm ($p\geq 1$) of the multilayer-disagreements vector, which is defined as the vector (with dimension equal to the number of layers), each element of which represents the disagreements of the clustering on the corresponding layer. For this generalization, we first design an $O(L\log n)$-approximation algorithm, where $L$ is the number of layers. We then study an important special case of our problem, namely the problem with the so-called probability constraint. For this case, we first give an $(α+2)$-approximation algorithm, where $α$ is any possible approximation ratio for the single-layer counterpart. Furthermore, we design a $4$-approximation algorithm, which improves the above approximation ratio of $α+2=4.5$ for the general probability-constraint case. Computational experiments using real-world datasets support our theoretical findings and demonstrate the practical effectiveness of our proposed algorithms.

Particle identification at the Super Charm-Tau factory experiment will be provided by a Focusing Aerogel Ring Imaging CHerenkov detector (FARICH). The specifics of detector location make proper cooling difficult, therefore a significant number of ambient background hits are captured. They must be mitigated to reduce the data flow and improve particle velocity resolution. In this work we present several approaches to filtering signal hits, inspired by machine learning techniques from computer vision.

In recent years, artificial neural networks have developed into a powerful tool for addressing a multitude of problems for which classical solution approaches reach their limits. However, it is still unclear why gradient descent optimization algorithms with random initialization, such as the well-known batch gradient descent, are able to achieve zero training loss in many situations, even though the objective function is non-convex and non-smooth. One of the most promising approaches to solving this issue in the field of supervised learning is the analysis of gradient descent optimization in the so-called overparameterized regime. In this article, we provide a further contribution to this area of research by considering overparameterized fully connected shallow artificial neural networks with piecewise affine activation, such as the rectified linear unit activation. Specifically, given that the activation function is not affine and the training input data are pairwise distinct, we show that, with high probability, the mean squared error of such a randomly initialized artificial neural network optimized via batch gradient descent converges to zero at a linear convergence rate as long as the width of the artificial neural network is sufficiently large and the learning rate is sufficiently small.

Artificial Intelligence (AI) systems are increasingly dependent on complex, multi-layered software supply chains that introduce challenges for reproducibility, transparency, and security assurance. This study presents an Artificial Intelligence Bill of Materials (AIBOM) schema extending the CycloneDX standard to capture AI-specific provenance, model lineage, and disclosure metadata. The framework provides a formalised approach to verifiable software provenance through structured schema engineering, cryptographic validation, and agent-driven automation. An autonomous AI pipeline is developed to perform continuous environment inspection, vulnerability enrichment, and reproducibility auditing using machine-verifiable provenance chains. Empirical evaluation demonstrates 98.7% reproducibility fidelity, 96.2% vulnerability match precision, and a 63% reduction in manual oversight across containerised analytic workflows. These results confirm the feasibility of automated provenance assurance and reproducible AI lifecycle validation. The AIBOM framework advances the scientific foundations of software supply chain transparency and AI reproducibility engineering, offering a generalisable methodology for securing AI systems, strengthening provenance integrity, and supporting compliance with international information security standards.

Accurately identifying metabolites i.e. small molecules from mass spectrometry data remains a core challenge in metabolomics, with broad applications in drug discovery, environmental analysis, and clinical research. We address the Molecule Retrieval task, which consists in recovering the chemical structure of a metabolite from its MS/MS spectrum given a set of candidate molecules. While the recent release of benchmark datasets such as MassSpecGym and Spectraverse has considerably accelerated the development of novel machine learning approaches, the complexity of data preprocessing pipelines and the lack of unified implementations make methods and results difficult to reproduce and compare. We make three contributions. First, we propose a unified framework encompassing recent approaches based on representation alignment and contrastive learning. Second, we introduce MSAlign, inspired by multimodal alignment in vision-language models, which learns a shared representation space by aligning two frozen foundation models (DreaMS for mass spectra and ChemBERTa for molecules) through lightweight MLP projections trained with a candidate-based contrastive objective. MSAlign is simple to implement, fast to train and consistently outperforms existing approaches across all benchmarks. Third, we investigate a long-standing evaluation problem: data splitting strategies in molecule retrieval implicitly trade off data leakage against domain shift. We formalize this tension by introducing a quantitative measure of distribution shift, and use it to evaluate splitting strategies in existing benchmarks. All datasets, splits, candidate sets, and a unified implementation of MSAlign and baselines are publicly released to support reproducible research.

Community detection is a central problem in graph analysis, with applications ranging from network science to graph signal processing. In recent years, Graph Neural Networks (GNNs) have emerged as effective tools for learning low-dimensional representations of graph-structured data and have shown strong performance in clustering tasks, particularly on large and high-dimensional graphs. This paper investigates the use of GNN-based community detection within a graph signal interpolation framework. After reviewing the main classes of GNN architectures for community detection according to a standard taxonomy, we integrate the resulting graph communities into a Partition of Unity Method (PUM) for interpolation with Graph Basis Functions (GBFs). In this approach, GNN-derived communities are used to construct local subdomains on which GBF interpolants are computed and subsequently combined into a global approximation. Numerical experiments on benchmark %graph datasets, including geometric and urban network examples demonstrate that the proposed combination of GNN-based clustering and GBF-PUM interpolation yields accurate signal reconstructions. The results indicate that deep learning-based community detection can provide effective graph partitions for localized interpolation schemes, supporting its use in scalable graph signal analysis.

Graph combinatorial optimization (GCO) has attracted growing interest, as many NP-hard problems naturally admit graph formulations, yet their combinatorial explosion renders exact methods computationally intractable. Recent advances in Reinforcement Learning (RL) combined with Graph Neural Networks (GNNs) have significantly improved learning-based GCO solvers. However, existing approaches face limitations in both generalization across diverse graph instances and computational scalability as action spaces grow. To address both challenges, we introduce projection agents, a novel RL-GCO approach that operates directly in a continuous GNN-based action embedding space, predicting a desired latent action in a single forward pass and subsequently decoding it into a valid discrete action. Additionally, we enable fair comparison across RL methods through a shared embedding space for both observations and actions. Across diverse benchmarks, our approach achieves up to 16.2x faster inference and up to 40% better generalization than existing solutions using only simple nearest-neighbor decoding, while opening the door to strong RL performance in super-linear decision spaces with multiple interdependent variables. Finally, we release LaGCO-RL, a Python library that automates latent action-space construction and supports existing RL-GCO solutions, promoting reproducibility and adaptation to new GCO benchmarks.

Text-to-image diffusion models are increasingly developed through open-source reuse and repeated downstream fine-tuning, where reused checkpoints are difficult to verify and thus more susceptible to hidden backdoor behaviors. In such ecosystems, a single pretrained model may be sequentially adapted and redistributed by multiple independent parties, allowing multiple concept-specific trigger-target associations to accumulate in the same model. When these associations coexist, semantic conflicts can be amplified in the shared representation space, leading to cross-concept entanglement and degraded generation quality. Notably, instead of strengthening the attack, such accumulation can destabilize previously injected behaviors and reduce attack reliability. In this work, we systematically investigate backdoor attacks under this interference-prone setting and propose Hydra, a unified framework for robust and controlled multi-concept backdoor injection under cumulative and decentralized reuse. Our core insight is that stable backdoor injection under large-scale multi-concept settings requires explicitly constraining trigger semantics while coordinating cross-task interactions during optimization. Specifically, Hydra performs evolutionary trigger search in the text encoder space to identify triggers that are semantically aligned with their target concepts while remaining stable across other injected concepts. It further combines multi-task fine-tuning with trigger-clean regularization to improve training stability under dense multi-concept injection. Extensive experiments across multiple diffusion backbones under rigorous multi-concept settings show that Hydra maintains effective backdoor activation while preserving clean generation fidelity and image quality. For instance, across 8 attackers and 500 concept pairs, Hydra maintains ~95% ASR and strong clean generation.

Accurately assessing financial risk requires capturing both individual asset volatility and the complex, asymmetric dependence structures that emerge during extreme market events. While modern diffusion-based models have advanced multivariate forecasting, they often suffer from a "normality bias" when trained end-to-end, sacrificing marginal calibration for joint coherence and consistently underestimating tail risk. To address this, we propose a Diffusion-Copula framework that explicitly decouples the learning of marginal distributions from their dependence structure. We employ deep Mixture Density Networks to capture heavy-tailed asset dynamics, followed by a Classification-Diffusion Copula to model the joint dependence. Applied to cryptocurrency markets, our approach demonstrates superior performance over state-of-the-art baselines in forecasting systemic extremes of both marginal and joint events. Crucially, we demonstrate that while baseline models classify simultaneous market crashes as statistically impossible "Black Swans" (high surprise), our framework identifies them as "Expected Crashes" (low surprise), successfully preserving the correlation structure necessary for robust risk management during contagion events.

Cryomicroneedles offer a route to minimally invasive intradermal delivery of living cells, but their cryogenic formulations must reconcile cell protection with constraints on toxicity and device fabrication. Here we report an AI-assisted, closed-loop workflow for cryomicroneedle cryoprotectant discovery that combines literature curation, Gaussian-process surrogate modelling, Bayesian optimization, and sequential wet-lab validation. A curated dataset of 198 mesenchymal stem-cell cryopreservation formulations from 42 studies was converted into 21 ingredient features and used to train an uncertainty-aware literature prior. This model captured moderate structure in the literature data but failed prospectively, motivating iterative wet-lab correction. Across ten validation iterations and 106 wet-lab observations, the model progressively adapted to cryomicroneedle-specific outcomes: batch RMSE decreased from 41.21 to 6.86 percentage points, later-stage rank correlations became consistently positive, and the cumulative wet-lab predicted-versus-measured summary reached $R^2 = 0.942$. The best validated formulation achieved 95.15\% post-thaw viability with low DMSO, ectoin, ethylene glycol, and fetal bovine serum. However, high viability alone did not ensure intact cryomicroneedle formation, highlighting the need for future multi-objective optimization. These results demonstrate that agent-assisted computational infrastructure can make data-efficient formulation discovery more accessible to labs with minimal data expertise in-house. Project code is available at https://github.com/baitmeister/ML-for-CryoMN.

In this paper, we study a consensus-based optimization method for nonconvex bi-level optimization, where the objective is to minimize an upper-level function over the set of global minimizers of a lower-level problem. The proposed approach is derivative-free, and constructs its consensus point via smooth quantile selection combined with a Gibbs-type Laplace approximation. We establish convergence guarantees for both the associated \textit{mean-field} dynamics and its \textit{finite-particle} approximation. In particular, under suitable assumptions on smooth quantile localization, error bounds, and stability, we show that the mean-field law reaches any arbitrary prescribed Wasserstein neighborhood of the target bi-level solution with an explicit exponential rate up to the hitting time. Numerical experiments on a two-dimensional constrained problem and neural network training further support the theoretical results.

Accurate cardiac output (CO) estimation from photoplethysmography (PPG) is promising for unobtrusive hemodynamic monitoring, but remains difficult since CO is jointly determined by cardiac function and vascular tone. Conventional feature-based models use physiologically meaningful PPG descriptors, yet depend on accurate pulse detection and may miss latent temporal relationships. In contrast, fully end-to-end deep learning models learn directly from raw PPG but often underuse established PPG-derived prior information. Here, we introduce the Cross-View Attention Fusion Network (CVAF-Net), a prior-guided dual-view deep learning model for CO estimation from short, fixed-length PPG segments. CVAF-Net processes raw PPG as a temporal view and a feature sequence map (FSM) as a structured prior-guided view, and fuses the two representations through cross-view attention. The model was independently evaluated using 5-, 15-, and 30-s segments from three datasets: simulated pulse waves (3323 subjects), vasoconstriction provocation (79 subjects), and resting/cycling activities (10 subjects), and was compared with multiple machine learning and deep learning benchmarks. CVAF-Net outperformed most benchmark methods and achieved performance comparable to a state-of-the-art Transformer-based model, with a mean absolute error (MAE) of 0.19 L/min (MAPE: 3.95%) on simulated data and high accuracy in real-world settings (minimum MAE: 1.20 L/min). Importantly, CVAF-Net reduced FLOPs by twelvefold compared with the leading Transformer-based model. Plausibility analysis showed physiologically consistent CO estimates, with expected correlations with age ($ρ= -0.274$), heart rate ($ρ= 0.894$), and systemic vascular resistance ($ρ= -0.740$). These findings indicate that CVAF-Net provides an accurate, computationally efficient, and generalizable approach for continuous wearable-based CO monitoring.

The rapid advancement toward long-context reasoning and multi-modal intelligence has made the memory footprint of the Key-Value (KV) cache a dominant memory bottleneck for efficient deployment. While the established per-channel quantization effectively accommodates intrinsic channel-wise outliers in Key tensors, its efficacy diminishes under extreme compression. In this work, we revisit the inherent limitations of the per-channel quantization paradigm from both empirical and theoretical perspectives. Our analysis identifies Token Norm Imbalance (TNI) as the primary bottleneck to quantization fidelity. We demonstrate that TNI systematically amplifies errors when shared quantization parameters are required to span token groups exhibiting substantial norm disparities. Instead of relying on intricate quantization pipelines (e.g., TurboQuant), we propose OScaR (Omni-Scaled Canalized Rotation), an accurate and lightweight KV cache compression framework for X-LLMs (i.e., text-only, multi-modal, and omni-modal LLMs). Advancing the per-channel paradigm, OScaR employs Canalized Rotation followed by Omni-Token Scaling to mitigate TNI-induced sequence-dimensional variance both effectively and efficiently, further supported by our optimized system design and CUDA kernels. Extensive evaluations across X-LLMs show that OScaR consistently outperforms existing methods and achieves near-lossless performance under INT2 quantization, establishing it as a robust, low-complexity, and universal framework that defines a new Pareto front. Compared with the BF16 FlashDecoding-v2 baseline, our OScaR implementation achieves a notable up to 3.0x speedup in decoding, reduces memory footprint by 5.3x, and increases throughput by 4.1x. The code for OScaR is publicly available at https://github.com/ZunhaiSu/OScaR-KV-Quant.

Advancements in clinical Brain-Computer Interfaces (BCIs) depend on precise and reliable signal interpretation. However, the high-dimensional and noisy nature of data captured from both implanted and non-implanted BCIs poses significant challenges, motivating the use of feature selection algorithms. We introduce BCI-sift (BCI Systematic and Interpretable Feature Tuning), a Python-based toolbox designed to streamline the application of diverse optimization algorithms to BCI datasets for identifying the most relevant features in machine learning tasks. Our scikit-learn-compatible toolbox (github.com/UMCU-RIBS/BCI-sift) simplifies feature selection in BCI tasks by integrating advanced optimization methods. We validated the toolbox on high-density electrocorticography (HD ECoG) data from eight able-bodied participants with 64-128 electrodes implanted over the sensorimotor cortex, who repeatedly spoke 12 words. BCI-sift identified informative neural features across electrode, temporal, and frequency dimensions. The anatomical locations of electrode selections were consistent across participants and aligned with known functional organization of the sensorimotor cortex. Relevant time points clustered around speech production, and the high-frequency band was identified as most informative, in line with prior work. Feature selection improved classification accuracy compared to using all features. BCI-sift provides an accessible and versatile platform for feature selection in BCI research, enabling improved decoding performance, automated feature analysis, and enhanced interpretability. While validated on HD ECoG data, the approach is broadly applicable to other BCI modalities. By enhancing classification accuracy and interpretability, BCI-sift addresses key challenges in developing efficient and transparent BCI systems.

Knowledge Graphs (KGs) are a powerful representation of linked data, offering flexibility, semantic richness, and support for knowledge enrichment and reasoning. They help data owners organize and exploit heterogeneous data to provide insightful services (e.g., recommendations), yet real-world KGs are often incomplete, hiding true facts or missing valuable insights. Knowledge graph embedding techniques are commonly used to infer valuable missing information. However, reasoning over KGs can inadvertently expose sensitive user information, even when such data is not explicitly stored. In this work, we investigate the privacy risks associated with KGE-based reasoning, focusing on attribute inference attacks where adversaries attempt to deduce sensitive user attributes from seemingly non-sensitive outputs. We propose and evaluate a framework that mitigates these privacy risks by applying post processing sanitization techniques to KGE outputs. Preliminary results demonstrate the effectiveness of these attacks on the outputs of KGE models, and explore the trade-off between recommendation quality and privacy protection when applying randomization based approaches, highlighting the need to experiment with more advanced techniques in future work to address this issue.

Stochastic gradient methods are central to modern large-scale learning, but their use with incomplete covariates remains delicate since imputation schemes generally introduce systematic gradient biases, as shown for linear models. In this work, we prove that all parametric models exhibit similar gradient bias for various imputation procedures and characterize exactly the dependence on the missingness ratio vector $p$, with $O(\|p\|)$ as the leading term. We exploit this analysis to propose a simple debiasing procedure for stochastic gradient descent (SGD) with missing values based on Richardson extrapolation, which leverages the exact expression of the gradient bias. The key idea is to \emph{deliberately add missingness}: from an already incomplete observation, we generate a further-thinned version at a higher, controlled missingness level, and combine the two resulting stochastic gradients to cancel the leading bias term. We prove that one Richardson step reduces the gradient bias from $O(\|p\|)$ to $O(\|p\|^2)$ under several missingness scenarios. Our proposed method is computationally efficient, model-agnostic and applies to any parametric loss whose stochastic gradient can be computed after imputation. Furthermore, when missing indicators are independent, the population gradient bias is a multilinear polynomial in $p$ and depends only on population gradient errors induced by declaring a single coordinate missing. In this case, our method generalizes to a multi-step Richardson procedure which recursively cancels higher-order terms. Empirically, Richardson debiasing improves optimization and estimation across several generalized linear models and combines positively with widely used imputation procedures such as MICE. These results suggest that, somewhat counter-intuitively, adding controlled missingness on top of existing missing data can make stochastic learning from incomplete data more accurate.

Can a single LLM-based optimization system match specialized tools across fundamentally different domains? We show that when optimization problems are formulated as improving a text artifact evaluated by a scoring function, a single AI-based optimization system-supporting single-task search, multi-task search with cross-problem transfer, and generalization to unseen inputs-achieves state-of-the-art results across six diverse tasks. Our system discovers agent architectures that nearly triple Gemini Flash's ARC-AGI accuracy (32.5% to 89.5%), finds scheduling algorithms that cut cloud costs by 40%, generates CUDA kernels where 87% match or beat PyTorch, and outperforms AlphaEvolve's reported circle packing solution (n=26). Ablations across three domains reveal that actionable side information yields faster convergence and substantially higher final scores than score-only feedback, and that multi-task search outperforms independent optimization given equivalent per-problem budget through cross-task transfer, with benefits scaling with the number of related tasks. Together, we show for the first time that text optimization with LLM-based search is a general-purpose problem-solving paradigm, unifying tasks traditionally requiring domain-specific algorithms under a single framework. We open-source optimize\_anything with support for multiple backends as part of the GEPA project at https://github.com/gepa-ai/gepa .

In this paper, we establish Berry-Esseen-type bounds for federated linear stochastic approximation (LSA). Our results provide the first federated Gaussian approximations for LSA that explicitly capture communication-computation trade-offs and heterogeneity-aware error terms, quantifying the effects of local step size, number of local updates, and heterogeneity on convergence rates. We present results for both (i) constant step size regime and (ii) decreasing step size with an increasing number of local iterations, recovering the recent rates of Bonnerjee et al. [2025] as a special case. As a primary application of our results, we develop an online multiplier bootstrap procedure for inference on the last iterate, which avoids explicit estimation of the asymptotic covariance matrix, and obtain non-asymptotic validity guarantees for this procedure.

We study the problem of reconstructing an unknown point in $\mathbb{R}^d$ from approximate linear queries. This setting arises naturally in applications ranging from low-dimensional remote sensing and signal recovery to high-dimensional data analysis and privacy-sensitive inference. Our main goal is to characterize the optimal reconstruction error as a function of the number of queries $T$, the ambient dimension $d$, and the noise parameter $δ$. We first analyze the limit $T \to \infty$ and show that the optimal reconstruction error converges to the explicit value $\sqrt{2d/(d+1)} δ$, which plays a role analogous to the Bayes optimal error in supervised learning. When the dimension is fixed, we show that the excess error above this limit decays doubly exponentially fast as $T \to \infty$, a rate that is significantly faster than those typically encountered in learning curves. When the dimension grows, we show that a number of queries on the order of $\exp(d)$ is necessary and sufficient to achieve vanishing excess error. Finally, we introduce and analyze an improper variant of the reconstruction problem. From a technical perspective, our main contribution is a generalization of Jung's theorem (1901). The classical theorem bounds the maximum possible radius of a set of diameter 1 and characterizes extremal bodies. Our generalization provides a robust variant that characterizes near-extremal bodies and is proved via geometric and dynamical arguments exploiting symmetry and Lie group actions.

Deep generative models have emerged as state-of-the-art for solving inverse problems, but applying them to inverse problems for PDEs, like electrical impedance tomography (EIT) remains challenging. Because physical domains are naturally discretized as unstructured meshes rather than regular grids, standard convolutional architectures are often inadequate. In this paper, we propose a novel framework that extends diffusion posterior sampling (DPS) to graph-structured data. We develop an unconditional score-based diffusion model directly on a 2D triangular mesh to learn an accurate prior over the physical solution space. Furthermore, we introduce a regularized variant, RDPS, which incorporates explicit regularization terms, such as total variation and generalized Tikhonov, to complement the implicit diffusion prior and mitigate severe ill-posedness. Extensive experiments on synthetic and real 2D EIT datasets demonstrate that RDPS produces stable, physically plausible reconstructions. Our approach generalizes well to out-of-distribution inclusion geometries, is highly robust to measurement noise, and outperforms current state-of-the-art solvers (e.g., GPnP-BM3D, DP-SGS) in reconstruction accuracy and artifact reduction.

Matrix-structured parameters frequently appear in many artificial intelligence models such as large language models. More recently, an efficient Muon optimizer is designed for matrix parameters of large-scale models, and shows markedly faster convergence than the vector-wise algorithms. Although some works have begun to study convergence properties (i.e., optimization error) of the Muon optimizer, its generalization properties (i.e., generalization error) is still not established. Thus, in this paper, we study generalization error of the Muon optimizer based on algorithmic stability and mathematical induction, and prove that the Muon has a generalization error of $O\big(\frac{1}{Nκ^{T}}\big)$, where $N$ is training sample size, and $T$ denotes iteration number, and $κ>0$ denotes minimum difference between singular values of gradient estimate. To enhance generalization of the Muon, we propose an effective mixed Muon (MiMuon) optimizer by cautiously using orthogonalization of gradient, which is a hybrid of Muon and momentum-based SGD optimizers. Then we prove that our MiMuon optimizer has a lower generalization error of $O\big(\frac{1}{N}\big)$ than $O\big(\frac{1}{Nκ^{T}}\big)$ of Muon optimizer, since $κ$ generally is very small. Meanwhile, we also studied the convergence properties of our MiMuon algorithm, and prove that our MiMuon algorithm has the same convergence rate of $O(\frac{1}{T^{1/4}})$ as the Muon algorithm. Some numerical experimental results on training large models including Qwen3-0.6B and YOLO26m demonstrate efficiency of the MiMuon optimizer.

Validating interpretable surrogate models for ensemble learners requires measuring agreement between the ensemble's internal representation and its surrogate approximation, rather than mere association. Correlation-based approaches are scale-invariant and fail to detect systematic discrepancies in co-occurrence structure. We propose a statistical framework grounded in the agreement-association distinction, centered on the normalized Loss of Interpretability (nLoI). Rooted in the Cressie-Read power divergence family with lambda equal to 2, the nLoI admits a closed-form decomposition into within-node and between-node components, providing a unique diagnostic capability to identify precisely where and why reconstruction fails. The framework incorporates four complementary measures capturing distinct structural facets of approximation quality. A unified permutation testing procedure delivers valid inference for all measures within a single resampling pass. Theoretical properties, including boundedness and symmetry, are established for each metric. Monte Carlo simulations and empirical evaluations confirm exact Type I error control and demonstrate that these measures detect reconstruction fidelity gradients invisible to correlation-based alternatives. The framework is developed and illustrated in the context of Explainable Ensemble Trees (E2Tree), and empirical evaluation on three benchmark datasets illustrates the practical utility of the framework.

We investigate the asymptotic properties of the Lévy Adaptive B-spline (LABS) regression model, a Bayesian nonparametric method that incorporates B-spline kernels into the Lévy Adaptive Regression Kernel (LARK) model. LABS applies splines of varying degrees with independently defined knots, yielding a flexible model class capable of adapting to irregular and locally structured features of the true function. Within the nonparametric regression framework with univariate random design and Gaussian errors, we establish that the LABS posterior contracts around the true function in Besov classes at nearly minimax-optimal rates, up to a logarithmic factor, while adapting automatically to unknown smoothness. This study contributes to filling a gap in the literature, where theoretical results on posterior contraction of the LARK model in Besov spaces remain scarce. Simulation experiments on standard test functions in Besov spaces, including Blocks, Bumps, HeaviSine, and Doppler, complement the theoretical results and demonstrate the practical utility of LABS.

Integrated Gradients (IG) is a widely adopted feature attribution method that satisfies desirable axiomatic properties. However, the choice of integration path significantly affects the quality of attributions, and the standard straight-line path introduces all input features simultaneously, often accumulating noisy gradients along the way. To address this limitation, we propose Spectral Integrated Gradients, which constructs integration paths based on singular value decomposition (SVD) of the baseline-to-input difference. By progressively activating singular components from largest to smallest, SIG introduces global structure before fine-grained details, naturally following a coarse-to-fine progression. Through extensive evaluation across diverse image classification datasets, we demonstrate that SIG produces cleaner attribution maps with reduced noise and achieves improved quantitative performance compared to existing path-based attribution methods. Our code is available at https://github.com/leekwoon/sig/.

Dental aerosol procedures produce sub-50 micrometre nuclei that can remain airborne for long periods in enclosed clinics, creating pathways for airborne pathogen transmission. Reynolds-Averaged Navier-Stokes (RANS) simulations with Euler-Lagrange particle tracking capture this transport accurately but require very long run times per scenario, which precludes real-time clinical decision support in 3D. We present the Eulerian-Lagrangian Graph Interaction Network (ELGIN), a physics-informed graph surrogate that jointly predicts carrier-flow dynamics on the OpenFOAM polyhedral mesh and the per-parcel motion of the polydisperse spray cloud. ELGIN couples a multi-head Graph Transformer with Jacobi-preconditioned learnable pressure projection and a turbulence-closure head to a sigmoid-gated Lagrangian Interaction Network through differentiable inverse-distance mesh-parcel coupling, and advances parcels with a symplectic Stormer-Verlet integrator. A four-stage physics-informed curriculum stabilises 260-step autoregressive rollouts without gradient explosion. A parameter sweep with foam-extend 4.1 OpenFOAM reactingParcelFoam across clinically relevant ventilation rates and handpiece spray speeds provides CFD ground truth. This article reports a single-case demonstration in which both ELGIN and a Lagrangian-only baseline (M0) are trained and evaluated on Sweep_Case_03 of a twenty-case sweep; full 16/2/2 retraining is in progress and will replace all reported metrics. On this case, ELGIN tracks the foam-extend particle cloud much more closely than M0: mean parcel displacement error falls from 19.56% to 16.20% of room width and cloud radius-of-gyration error from 9.85% to 6.58%. A 26-second rollout completes in ~64 s on a 4 GB GPU, approximately 37x faster than the foam-extend reference pipeline, toward per-appointment infection-risk screening once the multi-case checkpoint is in place.

We study an online market-making problem in which a learner sequentially posts bid and ask prices for a single asset while interacting with traders holding private valuations. Unlike existing online learning formulations that assume fully censored feedback, we introduce an action-dependent feedback model inspired by real limit order books: when a trade occurs, the trader's valuation remains hidden, whereas when no trade occurs, informative feedback about supply and demand is revealed. We show that this additional information fundamentally changes the learnability of the problem. In the stochastic setting with i.i.d. market prices, we propose an elimination-based algorithm that achieves $O(\sqrt T)$ regret with high probability, without requiring any smoothness assumptions on the distribution of trader valuations. We then extend this result to a broad class of mean-reverting price processes by considering both local, autoregressive dynamics and a weaker global drift condition based on cumulative deviations from the mean. Under either assumption, we establish high-probability $O(\sqrt T)$ regret bounds, relying on a new concentration inequality of independent interest. Finally, in the adversarial setting with oblivious prices, we design an explore-then-perturb algorithm that guarantees $O(T^{2/3})$ regret in expectation. Our results quantify the value of observing the order book in online market making and demonstrate that even limited, action-dependent feedback can substantially improve regret guarantees compared to standard bandit feedback models.

This paper describes the first-ever open-source high-fidelity CFD dataset of a high-lift aircraft for the purpose of AI surrogate model development. The dataset is composed of 1800 samples, arising from 180 geometry variants and 10 angles of attack for the high-lift NASA Common Research Model (CRM) geometry, used within the AIAA High-Lift Prediction Workshop series. One of the novelties of this dataset is the use of a GPU-accelerated high-fidelity explicit, wall-modeled LES approach for each simulation, using solution-adapted grids between 300M and 500M cells. This ensures the greatest possible accuracy given known challenges in steady-state RANS approaches for these portions of the flight envelope. The entire dataset (geometries, time-averaged volume and surface variables and integral forces) are available, free of charge with a permissive open-source license (CC-BY-4.0). By making this data publicly available, we aim to accelerate the research and development of AI surrogate modeling within the aerospace industry.

This paper presents a learning-augmented trajectory planning framework for cooperative unmanned aerial vehicle (UAV) and unmanned ground vehicle (UGV) handover missions. While centralized trajectory optimization ensures dynamic feasibility and task optimality, its high computational cost limits real-time applicability. We propose a neural surrogate planner utilizing decoupled encoder-decoder long short-term memory (LSTM) networks to generate coordinated handover trajectory predictions from the task specifications. These predictions serve as informed warm starts for the downstream centralized optimizer, thereby accelerating convergence to dynamically feasible solutions. Benchmark evaluations demonstrate that the learning-augmented planning framework achieves more than a threefold speedup and 100% optimization success rate compared to cold start optimization. The results indicate that combining data-driven inference with model-based refinement enables fast and reliable trajectory generation for heterogeneous multi-robot systems.

As Large Language Models (LLMs) advance toward practical deployment, the Microscaling FP4 (MXFP4) format has emerged as a cornerstone for next-generation low-bit inference, owing to its ability to balance high dynamic range with hardware efficiency. However, directly applying MXFP4 to LLM activation quantization inevitably leads to significant accuracy degradation. In this paper, we theoretically analyze the error structure of MXFP4 activation quantization, revealing that the root cause of this performance drop lies in two structural imbalances between activation distributions and the MXFP4 block floating-point format: (1) extreme inter-block variance imbalance and (2) intra-block codebook utilization imbalance. To address these challenges, we propose TORQ (Two-level Orthogonal Rotation for MXFP4 Quantization), a training-free Post-Training Quantization (PTQ) framework designed to reshape the geometric properties of the activation space through optimal coordinate transformations. At the macroscopic level, TORQ leverages the Schur-Horn theorem to redistribute activation energy via inter-block orthogonal rotation, preventing high-variance blocks from driving up shared scaling factors and thereby preserving the precision of small-magnitude elements. At the microscopic level, TORQ employs maximum-entropy-guided intra-block rotation to alleviate codebook collapse and maximize the MXFP4 codebook's information capacity. Experiments on mainstream LLMs such as LLaMA3 and Qwen3 show that TORQ significantly improves the accuracy of MXFP4 activation quantization compared to existing methods: on Qwen3-32B, the perplexity on WikiText is reduced to 8.43 (vs. 7.61 for BF16), and the average accuracy increases from 38.40% with direct RTN to 73.63% (vs. 74.82% for BF16), substantially narrowing the gap between 4-bit floating-point quantization and full-precision inference.

We study post-hoc Learning to Defer (L2D) through the lens of ideal distributions: divergence-regularized reweightings of the data distribution under which a model attains low loss. We define deferral via the density-ratio between a model's and an expert's ideals. Using the reduction from density-ratio estimation to class-probability estimation, we derive the DR CPE losses for post-hoc L2D scorers. Deferral decisions are then made by thresholding the scorer, allowing deferral rates to be adjusted without retraining. For KL-based ideal distributions, our deferral rules recovers Chow's rule under the original distribution and a connection to an expert-tilted Bayes posterior -- which incorporates the expert's performance -- depending on if the ideal distributions are joint or marginal distributions. Experimentally, our approach is competitive compared to common baselines and more robust across dataset settings. More broadly, our results cast post-hoc L2D as density-ratio learning between ideal distributions, bridging Chow-style rules, expert comparison, and elucidating connections to related learning settings including anomaly detection.

Deep neural networks (DNNs) are suffering from ethical issues such as individual discrimination. In response, extensive NN repair techniques have been developed to adjust models and mitigate such undesired behaviors. However, existing fairness repair methods are typically data-centric, which often lack provable guarantees and generalization to unseen samples. To overcome these limitations, we propose ProF, a novel fairness repair framework with provable guarantees. The key intuition of ProF is to leverage interval bound propagation (a widely used NN verification technique) to soundly capture model outputs over the whole set $S(\mathbf{x})$ around a biased sample $\mathbf{x}$. The derived bounds are utilized to guide fairness repair which encourages the model to produce consistent outputs on $S(\mathbf{x})$. Specifically, we integrate fairness constraints and model modifications into a unified constraint-solving formulation, which can be transformed to a Mixed-Integer Linear Programming (MILP) problem solvable by off-the-shelf solvers. The solution to the MILP problem effectively induces a repaired model with guaranteed fairness over the whole set $S(\mathbf{x})$. We evaluate ProF on four widely used benchmark datasets and demonstrate that it achieves provable fairness repair, with generalization of up to 95.93\% on full datasets and 93.16\% on the entire input space. Notably, ProF can be easily configured to support multiple sensitive attributes and more practical fairness definitions, while providing provable repair guarantees and delivering around 90\% fairness improvement. Our code is available at https://github.com/nninjn/ProF.

Text-to-image diffusion models can synthesize high-quality images, yet the outcome is notoriously sensitive to the random seed: different initial seeds often yield large variations in image quality and prompt-image alignment. We revisit this "seed effect" and show that attention dynamics over prompt core tokens, the content-bearing words, measured during the first few denoising steps, strongly predict final generation quality. Building on this observation, we introduce Attention-Based Seed Selection (ABSS), a training-free, plug-and-play method that ranks seeds for a given prompt by leveraging cross-attention to core tokens during the denoising process. ABSS requires no finetuning and does not alter the initial noise; it scores and ranks all candidate seeds, keeps only the top-k for full generation, and discards the rest, without relying on a fixed accept/reject threshold. Operating purely at inference time, ABSS can serve as a lightweight pre-selection add-on for existing seed-optimization pipelines, enabling additional gains. Across three benchmarks, extensive experiments show that ABSS enables consistent improvements in text-image alignment and visual quality for Stable Diffusion variants, as corroborated by human preference and alignment metrics.

As AI-generated text enters the real-world at scale, institutions increasingly use commercial AI-text detectors, especially in education and academic-integrity workflows. We report a surprising empirical finding about such systems: when evaluated by GPTZero and Pangram, generated text from base models is often judged overwhelmingly human, whereas text generated by their instruction-tuned counterparts is not. Building on this observation, we propose Humanization by Iterative Paraphrasing (HIP), a detector-agnostic pipeline that minimally fine-tunes a base model into a paraphraser and applies it iteratively. Compared with the baselines we test, HIP yields a stronger trade-off between semantic preservation and detector evasion on commercial detectors. Across Llama-3 and Qwen-3 families, spanning model sizes from 0.6B to 70B, HIP consistently improves detector human-likeness. Our findings suggest that current detectors are tracking artifacts of instruction tuning and local context more than any invariant notion of machine-generated text. This, in turn, calls for detector designs that model these factors more explicitly.

Using recent works of one of the authors (VSB) on collapse in generative models and two time scale dynamics in stochastic gradient descent in high dimensions, we give a system theoretic explanation of the memorization phenomenon in generative models. This relies purely on the dynamic aspects of the training phase. Specifically, we use a result of Austin [2016] to motivate a stylized model for the loss function for stochastic gradient descent (SGD) wherein the loss function has a strong dependence on some variables and weak dependence on the rest in a precise sense. This naturally leads to two distinct time scales in the constant step size SGD that is commonly used in machine learning. This fact has been used to explain the double descent phenomenon in SGD in Borkar [2026]. In conjunction with a mathematical model for collapse phenomenon in SGD developed in Borkar [2025a], we analyze the constant step size SGD using the recent results of Azizian et al. [2024] in order to explain the phenomenon of memorization wherein a generative model that is concurrently being tuned yields the same or similar outputs for significant stretches of time. This gives a novel perspective on the aforementioned phenomena reported in machine learning literature and their interrelationships, using a dynamical systems viewpoint.

Discrete diffusion language models (DDLMs) generate text by iteratively denoising categorical token sequences, while recent drifting methods for continuous generators suggest that part of this sampling-time correction can instead be absorbed into training through an anti-symmetric fixed-point objective. We study how to transfer this principle to DDLMs, where the main challenge is the interface with discrete text: hard token samples are non-differentiable, and categorical predictions do not directly provide continuous samples to drift. We formulate TokenDrift, a drifting objective that lifts categorical predictions to soft-token features, applies anti-symmetric drifting in a frozen semantic space, and backpropagates the resulting stop-gradient feature target to DDLM logits. In controlled continual-training experiments with masked and uniform-state diffusion backbones, TokenDrift improves fixed-NFE generation quality over matched continuation baselines, reducing Gen.-PPL at 4 NFEs by 89% on MDLM and 86% on DUO. These results suggest that drifting can provide a practical refinement objective for DDLMs.

Safe exploration remains a fundamental challenge in reinforcement learning (RL), limiting the deployment of RL agents in the real world. We propose Sampling-Based Safe Reinforcement Learning (SBSRL), a model-based RL algorithm that maintains safety throughout the learning process by enforcing constraints jointly across a finite set of dynamics samples. This formulation approximates an intractable worst-case optimization over uncertain dynamics and enables practical safety guarantees in continuous domains. We further introduce an exploration strategy based on constraining epistemic uncertainty, eliminating the need for explicit exploration bonuses. Under regularity conditions, we derive high-probability guarantees of safety throughout learning and a finite-time sample complexity bound for recovering a near-optimal policy. Empirically, SBSRL achieves safe and efficient exploration both in simulation and in real robotic hardware, and readily extends to practical deep-ensemble implementations that scale to high-dimensional continuous control problems.

The success of self-supervised learning (SSL) in vision and NLP has motivated its rapid adoption for time series. However, research has focused primarily on Generative paradigms and forecasting tasks, leaving the broader utility of learned representations unquantified. We establish a controlled framework to evaluate the "pre-training dividend": the value added by SSL across diverse temporal tasks. We systematically compare Generative paradigms against Latent Alignment architectures, introducing adaptations of LeJEPA and DINO for time series. These adaptations utilize Discrete Wavelet Transform (DWT) augmentations to enforce invariance to local fluctuations. Our analysis reveals that the pre-training dividend is highly asymmetric: SSL yields gains of up to 375% for anomaly detection and classification, yet remains marginal for forecasting. We demonstrate that representational utility is non-universal, governed by a precision-invariance trade-off where the specific signal resolution required by the task must align with the objective. Finally, we show that representation quality is largely independent of data origin and saturates at moderate architectural depths, suggesting a path to scaling via massive synthetic generation. Our code is available at: https://github.com/noammajor/Models

We study the max-margin solutions reached by mirror flow in deep neural networks with homogeneous activation functions. Extending classical results on gradient flow, we derive a novel balance equation for mirror flow from convex duality, enabling a characterization of the horizon function governing the induced margin. We further establish max-margin characterizations together with convergence rates and norm growth estimates. Finally, we support our theory through experiments on synthetic datasets and standard vision tasks. Concretely, we show that: (1) distinct non-homogeneous mirror maps can induce the same max-margin solution; (2) convergence can be extremely slow, including exponentially slow regimes; and (3) although all considered mirror maps exhibit feature learning, they can produce markedly different representations, ranging from sparse to dense neuron activations. Together, these results provide a unified perspective on sparse and dense feature learning in homogeneous neural networks, highlighting how mirror maps shape both optimization dynamics and the geometry of the learned classifiers.

When a model produces a correct solution under reinforcement learning with verifiable rewards (RLVR), every token receives the same reward signal regardless of whether it was a decisive reasoning step or a grammatical filler. A natural fix is to condition the model on the correct answer as a teacher, identifying tokens it would have generated differently had it known the answer. Prior work shows this either corrupts training by leaking the answer into the gradient, or produces a weak signal that cannot distinguish decisive steps from filler, since both look equally surprising relative to the model's baseline. We propose Contrastive Evidence Policy Optimization (CEPO), which asks a sharper question at every token: not just "does the correct answer favor this token?" but "does the correct answer favor it while the wrong answer disfavors it?" A token satisfying both is a genuine reasoning step; one satisfying neither is filler. The wrong-answer teacher is constructed from rejected rollouts already in the training batch, incurring no additional sampling cost. We prove CEPO inherits all structural safety guarantees of the prior state of the art while strictly sharpening credit at decisive tokens, with the improvement vanishing exactly at filler positions. Empirically, CEPO achieves 43.43% and 60.56% average accuracy across five multimodal mathematical reasoning benchmarks at 2B and 4B scale, respectively, versus 41.17% and 57.43% for GRPO under identical training budgets. Distribution-matching self-distillation methods (OPSD, SDPO) fall below the untrained baseline, empirically confirming the information leakage our theory predicts. Our code is available at https://github.com/ahmedheakl/CEPO.

Reinforcement Learning with Verifiable Rewards (RLVR) has become the dominant paradigm for advanced reasoning in Large Language Models (LLMs), but rollout samples are expensive to obtain, making sample efficiency a critical bottleneck. A natural remedy is to reuse each rollout batch for multiple gradient updates, a standard practice in classical RL. Yet in RLVR, this amplifies policy shift, leading to severe performance degradation. Detecting the onset of degradation early enough to stop reuse remains an open and challenging problem. We close this gap by identifying the \textit{Disproportionate Weight Divergence (DWD)} phenomenon: performance degradation is synchronized with a sharp surge in the \texttt{lm\_head} weight change, while intermediate layers remain stable. Empirically, we verify that DWD emerges consistently across diverse LLMs and tasks. Theoretically, we prove that (i) harmful gradients concentrate at the \texttt{lm\_head} while intermediate layers are structurally attenuated, and (ii) the \texttt{lm\_head} gradient norm lower-bounds the policy divergence. These results establish the \texttt{lm\_head} gradient norm as a principled, real-time signal of catastrophic policy shift. Guided by this insight, we propose \textit{Dynamic Gradient Gating (DGG)}, a lightweight intervention that monitors the \texttt{lm\_head} gradient norm in real time and intercepts harmful gradients before they corrupt the optimizer. DGG consistently matches or exceeds the standard single-use baseline, achieving up to $2.93\times$ sample efficiency and $2.14\times$ wall-clock speedup across math, ALFWorld, WebShop, and search-augmented QA tasks.

We investigate data filtering for large model pretraining via new scaling studies that target the high compute, data-scarce regime. In spite of an apparently common belief that filtering data to include only high-quality information is essential, our experiments suggest that with enough compute, the best data filter is no data filter. We find that sufficiently trained large parameter models not only tolerate low-quality and distractor data, but in fact benefit from nominally ``poor'' data.

Recent Continuous Thought Machine architecture decouples internal computation from external inputs via neural dynamics, but relies on multi-layer perceptrons without stability guarantees. We propose to model neural dynamics using asymmetric Excitatory-Inhibitory (E-I) networks, which can be stabilized via principles from network theory and can be expressed as energy-based systems optimized through a game-theoretic loss. Building on this perspective, we introduce Temporal Inhibitory-Excitatory Dynamic Engine (TIDE), a neuro-inspired architecture that computes internal representations through neural dynamics stabilized by incorporating the Wilson-Cowan dynamics and lateral inhibition. TIDE balances biological realism by, for instance, using Hierarchical Receptive Fields and enforcing Dale's principle to ensure a realistic $80:20$ E-I balance ratio with an end-to-end trainable architecture. The aim of this paper is to introduce a new architecture that brings neuro-inspired learning to the forefront. We present proofs of convergence, stability, and complexity bounds, along with empirical ablation studies. Overall, TIDE surpasses CTM with under $50\%$ of the training time and improves $\texttt{top-1}$ accuracy by an average of $+1.65\%$ on ImageNet under various perturbations.

Deep learning models for medical image classification are susceptible to subgroup performance disparities across demographic attributes such as age, gender, and race. We identify a latent representational mechanism underlying these disparities: in transfer-learned models, the dominant penultimate-layer activation channel under positive predictions is co-activated by both disease-positive samples and privileged demographic groups (male, older patients), producing over-diagnosis; conversely, the dominant channel under negative predictions is co-activated by disadvantaged groups (female, younger patients), producing systematic under-diagnosis. To address this, we propose Neuron Incidence Redistribution (NIR), a lightweight regularization method that penalizes the variance of predicted-probability-weighted mean activations across penultimate-layer neurons, requiring no demographic labels at training time. On HAM10000, TPR disparity drops from 10.81% to 0.93% across age groups and from 12.04% to 0.74% across gender, with a marginal AUC improvement of 0.51 points. On Harvard OCT-RNFL, NIR reduces FPR disparity for race (from 15.68% to 10.66%) and age (from 12.69% to 1.80%), demonstrating that distributing latent disease evidence across the full penultimate layer is a principled and effective strategy for improving demographic fairness in medical AI.

The remarkable success of the Adam in training neural networks has naturally led to the widespread use of its descent-ascent counterpart, Adam-DA, for solving zero-sum games. Despite its popularity in practice, a rigorous theoretical understanding of Adam-DA still lags behind. In this paper, we derive ordinary differential equations (ODEs) that serve as continuous-time limits of the Adam-DA. These ODEs closely approximate the discrete-time dynamics of Adam-DA, providing a tractable analytical framework for understanding its behavior in zero-sum games. Using this ODE approach, we investigate two fundamental aspects of Adam-DA: local convergence and implicit gradient regularization. Our analysis reveals that the roles of the first- and second-order momentum parameters in zero-sum games are exactly the opposite of their well-documented effects in minimization problems. We validate these predictions through GAN experiments across multiple architectures and datasets, demonstrating the practical implications of this reversed momentum effect.

Diffusion models have achieved remarkable success in generating samples from unknown data distributions. Most popular stochastic differential equation-based diffusion models perturb the target distribution by adding Gaussian noise, transforming it into a simple prior, and then use denoising score matching, a consequence of Tweedie's formula, to learn the score function and generate clean samples from noise. However, non-Gaussian diffusion models with state-dependent diffusion coefficient have been largely underexplored, as have the corresponding Tweedie's formulae. In this work, we extend Tweedie's formula to important non-Gaussian processes, including geometric Brownian motion (GBM), squared Bessel (BESQ) processes, and Cox-Ingersoll-Ross (CIR) processes, thereby yielding the corresponding denoising score-matching objectives. We then apply the derived formulae to image and financial time series generation using GBM- and CIR-based diffusion models, and to empirical Bayes estimation under the BESQ setting. The reported experimental results demonstrate the potential of non-Gaussian models.

As jailbreaks, adversarially crafted inputs that bypass safety constraints, continue to be discovered in Large Language Models, practitioners increasingly rely on fine-tuning as a defensive strategy. Yet the theoretical foundations underlying this robustness fine-tuning remain underexplored. We introduce a game-theoretic framework in which the interaction between an evaluator (auditing the model for jailbreaks) and a trainer is formalized as a two-player game. A key feature of our approach is the use of group actions, a mathematical structure that captures symmetries and transformations, to formally represent data augmentation. The simplest non-trivial instance is the circle with cyclic translation groups, where we exhibit various regimes depending on the trainer's generalization range. Below a critical threshold, the evaluator maintains a constant miss ratio for linearly many rounds, whereas other settings can yield very different behaviors. We further provide empirical evidence supporting locality-dependence of the model: for the three model families we tested (Llama, Qwen and Mistral), we have significant evidence that fine-tuning on adversarial prompts induces only local generalization, with refusal rates on test examples highly correlated with the distance to the fine-tuning prompts. Our framework recasts the central object of adversarial evaluation: a benchmark is not a static set of prompts but an orbit under the evaluator's group action, and audit protocols that ignore trainer-side adaptation cannot distinguish a genuine fix from a memorized patch.

Vision-language alignment using chest X-rays and radiology reports has emerged as an advanced paradigm for zero-shot classification and grounding of chest X-ray findings. However, standard contrastive learning typically treats radiographs and reports from different patients simply as negative pairs. This assumption introduces noisy negatives, as different patients frequently exhibit similar findings. Such noisy negatives cause semantic ambiguity and degrade performance in zero-shot understanding tasks. To address this challenge, we propose CoNNS, a concept-guided noisy-negative suppression framework. To support the negative suppression mechanism, unlike previous methods that use raw reports or templatized texts, we construct a hierarchical concept ontology using large language models. The ontology structures 41 key clinical concepts by explicitly modeling presence, attributes (location and characteristics), and texts (evidential segment and presence statement). Leveraging this ontology, we implement a cross-patient pair relabeling strategy comprising three steps: (1) Fine-Grained Breakdown to categorize pairs based on finding presence; (2) Noisy Negative Filtering to resolve semantic conflicts by removing false negatives; and (3) Hard Negative Mining to identify subtle attribute discrepancies using a lightweight language model. Finally, we propose a Concept-Aware NCE loss to align visual features with text while suppressing the identified noisy negatives. Extensive experiments across multi-granularity zero-shot grounding tasks and five zero-shot classification datasets validate that CoNNS outperforms existing state-of-the-art models. The code is available at https://github.com/DopamineLcy/conns.

All 26 neural network merge strategies we tested including weight averaging, SLERP, TIES, DARE, Fisher merging, and evolutionary approaches -- fail the algebraic properties (commutativity, associativity, idempotency) required for conflict-free distributed operation. We prove that this failure is structural: normalisation-based merges cannot simultaneously satisfy all three properties. To resolve this, we present a two-layer architecture -- CRDTMergeState -- that wraps any merge strategy in a CRDT-compliant (Conflict-Free Replicated Data Type) layer. Layer 1 manages contributions via OR-Set CRDT semantics, where the merge operation is set union -- trivially commutative, associative, and idempotent. Layer 2 applies merge strategies as deterministic pure functions over a canonically-ordered contribution set, with randomness seeded from the Merkle root. We prove that this separation guarantees Strong Eventual Consistency: all replicas receiving the same contributions compute identical merged models, regardless of message ordering. Empirical validation spans three tiers: controlled 4x4 tensors (104/104 tests pass), production-scale models up to 7.24B parameters (208 strategy-level tests, 43,368 layer-level property checks at capped tensor resolution), and multi-node convergence under gossip and partition healing (100 nodes, 20 orderings), with CRDT overhead below 0.5 ms. Because the wrapper is transparent, downstream performance is identical by construction, confirmed via byte-identical output verification. The reference implementation is available as crdt-merge v0.9.4.

Environmental science plays a pivotal role in safeguarding ecosystems, a domain driven by large-scale, heterogeneous data. In the big data era, artificial intelligence (AI) has emerged as a transformative tool for learning patterns and supporting decision-making. This dissertation develops AI-based approaches tailored to complex environmental science problems to achieve Environmental Intelligence, studying three specific challenges. First, we focus on flood prediction and management in coastal river systems. Conventional physics-based models are computationally intensive, limiting real-time application. To overcome this, we propose a deep learning (DL)-based model, WaLeF, for water level forecasting, and a forecast-informed DL model, FIDLAr, to manage water levels. Evaluated in a flood-prone coastal system in South Florida characterized by extreme rainfall and sea level fluctuations, FIDLAr outperforms baselines in accuracy and efficiency while providing interpretable outputs. Second, we target global weather prediction, which is challenged by massive data scale. Traditional physics methods are deterministic and computationally heavy. We propose CoDiCast, a conditional diffusion model tailored for probabilistic weather forecasting. Adapted from generative AI for predictive tasks, experiments show CoDiCast achieves accurate, efficient forecasts with explicit uncertainty quantification. Lastly, we address scientific question-answering in environmental science. When answering in-domain questions, large language models (LLMs) often suffer from hallucinations due to out-of-date or limited knowledge. While retrieval-augmented generation (RAG) retrieves domain-specific knowledge, existing methods trade off accuracy, efficiency, or explainability. We propose Hypercube-RAG, built on a structured text cube framework, which successfully exhibits all three properties simultaneously.

The rapid proliferation of AI-generated visual media has created an urgent need for efficient, trustworthy deepfake detection systems. However, existing deep learning-based detection methods rely on computationally intensive and energy-demanding inference algorithms, limiting their scalability. Here, we present a hybrid digital-analog deepfake video detection framework that combines a lightweight digital front-end with a spatially multiplexed optical decoding back-end for massively parallel analog inference through a programmable spatial light modulator. By simultaneously processing 15 or more video streams within a single optical propagation pass, the system enables high-throughput and accurate video-level authenticity prediction at reduced computational cost compared with purely digital methods. We validated this hybrid deepfake video processor using different datasets spanning classical face-swapping, real-world deepfake recordings, and fully AI-generated videos. Using a spatially multiplexed experimental set-up operating in the visible spectrum, we achieved average deepfake detection accuracy, sensitivity and specificity of 97.79%, 99.86% and 95.72%, respectively, on the Celeb-DF video dataset with 15 videos tested in parallel in a single optical pass per inference. The multiplexed optical decoder also demonstrates resilience against various types of video degradation, noise, compression, experimental misalignments and black-box adversarial attacks. Our results show that integrating optical computation into AI inference enables simultaneous gains in throughput, energy efficiency, and adversarial robustness - three properties that are difficult to achieve together in purely digital systems.

Deep learning methods have demonstrated promising results in predicting BI-RADS scores from mammography images. However, the interpretation of these images can vary, leading to discrepancies even among radiologists. Given the inherent complexity of mammograms, training classification models solely on image labels often yields limited performance. To address this challenge, we curated 2313 mammogram images and their corresponding captions from two mammography atlases. Our proposed approach employs a multi-modal model that uses a pretrained PubMedBERT as the language component. By training this model on image-text pairs with contrastive learning, we enable the vision encoder to absorb the rich information contained in the captions, thereby improving its understanding of mammography findings. We then fine-tune the vision encoder on two datasets for BI-RADS prediction, achieving superior performance compared with models trained without this pretraining, particularly when labeled samples are scarce. The improvement in the 3-class average F1 score ranges from +1% to +14%: a +1% increase with 40K training samples, and a +14% increase with 1K samples. Furthermore, our experiments reveal that 2K image-text pairs from mammography atlases can be more informative than 2K labeled samples for label prediction, with an average margin of +1.1% when more than 10K training samples are available. Overall, our work provides a vision-language model for mammography and highlights the value of textual information from mammography atlases. In addition, we publicly release preprocessed mammography images of the TEKNOFEST dataset. The training code, pre-trained model weights, data extraction scripts, and the released dataset are publicly available at: https://github.com/igulluk/MAM-CLIP

Retargeting motion across characters with varying body shapes while preserving interaction semantics, such as self-contact and near-body proximity, remains a challenging problem. While recent geometry-aware approaches address this by maintaining spatial relationships between predefined corresponding regions, their reliance on static correspondences often struggles when the target character exhibits exaggerated body proportions. In this paper, we present a geometry-aware motion retargeting framework that preserves interaction semantics by performing proximity matching over spatially adaptive anchors. Unlike prior methods with static anchor definitions, the proposed method dynamically repositions anchors to reachable regions on the target character. This is achieved via a Transformer-based anchor refinement strategy that predicts anchor displacements and constrains the translated anchors to remain on the target character geometry through differentiable soft projection. By incorporating pose-dependent spatial structures from the source character, the adapted anchors provide structurally coherent guidance for interaction-aware retargeting. Conditioned on these anchors, a graph-based autoencoder predicts target skeletal motion that preserves the spatial configuration of the source. To encourage task-aligned optimization between anchor adaptation and motion retargeting, we adopt an alternating training scheme in which each module is optimized in turn. Through extensive evaluations, we demonstrate that our method outperforms state-of-the-art approaches in preserving interaction fidelity across diverse character geometries.

Understanding how humans and artificial intelligence systems predict and plan by interacting with their environment is a fundamental challenge at the intersection of neuroscience and machine learning. Most brain-encoding studies focus on aligning artificial models with brain activity during language comprehension or passive visual processing, while interactive brain-alignment studies have to date been largely limited to reinforcement-learning (RL) agents and theory-based models. To address this gap, we study brain alignment of representative models from two foundation-model families, namely vision-language models (VLMs) and large-action models (LAMs), using fMRI recordings from participants playing naturalistic Atari-style video games. Specifically, we examine how action-focused and reasoning-focused prompts shape model's internal representations and align with fMRI brain activity. First, we find that both VLMs and LAMs exhibit significantly exhibit voxel-wise encoding performance than RL baselines, with the advantage holding even under matched feature dimensionality. Second, prompt-driven gains scale with the cortical processing hierarchy: the largest improvements appear in frontal-parietal and motor-planning regions, while early visual cortex gains roughly half as much. Third, variance partitioning reveals a qualitatively different representational organization: VLM is prompt-symmetric (12.5% unique action vs. 13.6% unique reasoning), whereas LAM is prompt-asymmetric (27% unique action vs. -5% unique reasoning), with the asymmetry strongest in frontal-motor cortex. Together, these results demonstrate that action-specialized fine-tuning reorganizes multimodal representations toward action-relevant neural computations even when whole-brain prediction accuracy is statistically equivalent between VLM and LAM.

Creating and editing high-quality 3D content remains a central challenge in computer graphics. We address this challenge by introducing CompoSE, a novel method for Compositional Synthesis and Editing of 3D shapes via part-aware control. Our method takes as input a set of coarse geometric primitives (e.g., bounding boxes) that represent distinct object parts arranged in a particular spatial configuration, and synthesizes as output part-separated 3D objects that support localized granular (i.e., compositional) editing of individual parts. The key insight that enables our method is our use of a diffusion transformer architecture that alternates between processing each part locally and aggregating contextual information across parts globally, and features a novel conditioning technique that ensures strong adherence to the user's input. Importantly, our method learns to infer part semantics and symmetries directly from the user's coarse layout guidance, and does not require part-level text prompts. We demonstrate that our method enables powerful part-level editing capabilities, including context-aware substitution, addition, deletion, and style-preserving resizing operations. We show through extensive experiments that our method significantly outperforms existing approaches on guided synthesis, as measured by objective metrics and LLM-based evaluations.

We present IMLJD, an open dataset of 3,613 Indian court judgments covering matrimonial disputes under IPC Section 498A, the Protection of Women from Domestic Violence Act, and CrPC Section 482. The dataset covers the Supreme Court of India from 2000 to 2024 (1,474 cases) and the Karnataka High Court from 2018 to 2024 (2,139 cases), with structured outcome labels, metadata-derived indicators, and a knowledge graph. We find that 57.6% of quashing petitions succeed at the Supreme Court level compared to 39.7% at the Karnataka High Court level. On a matched 2018 to 2024 period, the SC quash rate is 59.3%, widening the differential to 19.6 percentage points and confirming the finding is robust to temporal adjustment. The dataset, code, and knowledge graph are released openly at https://github.com/joyboseroy/imljd and https://huggingface.co/datasets/joyboseroy/imljd.

Single-cell perturbation modeling is fundamental for understanding and predicting cellular responses to genetic perturbations. However, existing approaches, from causal representation learning to foundation models, often struggle with an overlooked challenge: gene expression is dominated by perturbation-invariant information, while perturbation-specific signals are intrinsically sparse. As a result, learned representations either entangle invariant and perturbation-specific information, leading to spurious and non-generalizable predictors, or suppress perturbation-specific signals altogether, rendering them ineffective for prediction. To address this, we propose PerturbedVAE, a general framework designed to resolve this signal imbalance. The framework explicitly separates perturbation-specific information from dominant invariant structure and recovers causal representations to effectively utilize such information for prediction. We further provide an identifiability analysis that characterizes the conditions under which sparse perturbation effects can be reliably recovered, thereby clarifying how the framework can be concretely specified under such conditions. Empirically, PerturbedVAE achieves state-of-the-art performance on a widely used benchmark across multiple evaluation settings, yielding significant gains on out-of-distribution combinatorial predictions and uncovering interpretable perturbation-response programs.

Hallucination remains a central failure mode of large language models, but existing benchmarks operationalize it inconsistently across summarization, question answering, retrieval-augmented generation, and agentic interaction. This fragmentation makes it unclear whether a mitigation that works in one setting reduces hallucinations across contexts. Current benchmarks either require human annotation and fixed references that may be memorized, or rely on observations in settings that are difficult to reproduce. To study root causes, we introduce HalluWorld, an extensible benchmark grounded in an explicit reference-world formulation: a model hallucinates when it produces an observable claim that is false with respect to this world. Building on this view, we construct synthetic and semi-synthetic environments in which the reference world is fully specified, the model's view is controlled, and hallucination labels are generated automatically. HalluWorld spans gridworlds, chess, and realistic terminal tasks, enabling controlled variation of world complexity, observability, temporal change, and source-conflict policy, and disentangling hallucinations into fine-grained error categories. We evaluate frontier and open-weight language models across these settings and find consistent patterns: perceptual hallucination on directly observed information is near-solved for frontier models, while multi-step state tracking and causal forward simulation remain difficult and are not generally solved by extended thinking. In the terminal setting, models also struggle with when to abstain. The uneven profile of failures across probe types and domains suggests that hallucinations arise from distinct failure modes rather than a single capability. Our results suggest that controlled reference worlds offer a scalable and reproducible path toward measuring and reducing hallucinations in modern language models.

LLM agents organize behavior through skills - structured natural-language specifications governing how an agent reasons, retrieves, and responds. Unlike monolithic prompts, skills are multi-field artifacts subject to hard platform constraints: description fields are truncated for routing, instruction bodies are compacted via progressive disclosure, and co-resident skills compete for limited context windows. These constraints make skill optimization inherently multi-objective: a skill must simultaneously maximize task performance and satisfy platform limits. Yet existing prompt optimizers either ignore these trade-offs or collapse them into a weighted sum, missing Pareto-optimal variants in non-convex objective regions. We introduce MOCHA (Multi-Objective Chebyshev Annealing), which replaces single-objective selection with Chebyshev scalarization - covering the full Pareto front, including non-convex regions - combined with exponential annealing that transitions from exploration to exploitation. In our experiments across six diverse agent skills - where all methods share the same multi-objective mutation operator and baselines receive identical per-objective textual feedback - existing optimizers fail to improve the seed skill on 4 of 6 tasks: 1000 rollouts yield zero progress. MOCHA breaks through on every task, achieving 7.5% relative improvement in mean correctness over the strongest baseline (up to 14.9% on FEVER and 10.4% on TheoremQA) while discovering twice as many more Pareto-optimal skill variants.

Nonnegative matrix factorization (NMF) seeks a low-rank approximation $X \approx UV^T$ with nonnegative factors and is commonly solved using interior methods that enforce feasibility throughout optimization. We show that such constraint-driven approaches can impede progress in the nonconvex landscape, leading to slow convergence or convergence to suboptimal stationary points. We propose an exterior framework for NMF (eNMF) that separates low-rank approximation from nonnegativity enforcement. Our method initializes from the optimal unconstrained factorization and introduces a rotation procedure that maps unconstrained factors to an exterior point closest to the nonnegative orthant. This viewpoint yields an algorithmic framework in which simple iterative updates converge to KKT-satisfying stationary points on the boundary of the positive orthant. The exterior formulation also enables a geometric interpretation of NMF solutions, clarifying equivalence classes of factorizations under permutation and orthogonal transformations. An intriguing numerical result, involving 400 NMF experiments across both real and synthetic datasets, show that in 99% of the cases, different algorithms tend to converge towards equivalent factor matrices. We benchmark eNMF against 9 state-of-the-art NMF algorithms with 9 initialization schemes across 3 real-world and 2 synthetic datasets. eNMF consistently outperforms all 81 competitors, achieving up to 30% lower reconstruction error under equal-time settings and up to 150% speedup under equal-error settings. The downstream experiments further demonstrate substantial performance gains in audio processing and recommendation tasks, corroborating the practical benefits of the proposed exterior optimization framework. Code is available at https://github.com/roychowdhuryresearch/eNMF

Efficient neural network models that generate brain-like dynamic activity can be a valuable resource for generating synthetic data, analyzing differences in brain transients under conditions such as testing perturbation activity or inferring the underlying generative dynamics. However, large language models (LLMs) or standard recurrent neural networks (RNNs) ignore the anatomical organization and therefore do not produce components that align with brain regions. On the other hand, graph-based networks often have very simple message passing rules that are not sufficiently expressive for brain-like dynamics. To address this, we introduce BrainDyn, a sheaf neural ordinary differential equation (neural ODE) model for continuous-time dynamics on structured brain graphs. BrainDyn encodes the recent activity history of each brain region using a long short-term memory (LSTM) model over a sliding temporal window to produce hidden states, or stalks, that are projected through learnable restriction maps into edge-specific shared spaces. Discrepancies between neighboring nodes in these shared spaces are characterized by a sheaf Laplacian that can facilitate message passing between neuronal units. The output of these messages is then fed to a neural ODE that governs the continuous-time evolution of neuronal activity. We evaluated BrainDyn on resting-state fMRI (PNC dataset), scalp EEG with focal epilepsy (TUSZ dataset), and simulated activity from the NEST spiking network simulator. BrainDyn achieves strong forecasting ability across modalities, and the resulting representations support downstream tasks including in silico perturbation prediction.

Inference-time scaling has emerged as a major approach for improving reasoning capabilities, and has been increasingly applied to diffusion models. However, existing inference-time scaling methods for diffusion models typically rely on external verifiers or reward models to rank and select samples, limiting their scalability to settings where such evaluators are available and reliable. Moreover, while recent diffusion models perform sequential inference with region-wise, mixed-noise conditioning, inference-time scaling tailored to this setting remains relatively underexplored. We propose Iterative Partial Refinement (IPR), an inference-time scaling method for sequential diffusion that requires no external verifier. Starting from an already-generated sample, IPR re-noises a subset of regions and regenerates them conditioned on the remaining regions, enabling the model to revise earlier decisions under a richer context than was available during the initial generation. This iterative partial refinement produces more globally consistent samples without external verification. On reasoning tasks requiring global constraint satisfaction, IPR consistently improves performance: on MNIST Sudoku, the valid solution rate increases from 55.8% to 75.0%. These results show that iterative partial refinement alone can serve as an effective inference-time scaling strategy for diffusion models in sequential, mixed-noise settings. Code is available at: https://github.com/ahn-ml/IPR

In complex multivariate systems, interactions among variables are defined by dependency structures, often encoded as directed acyclic graphs ($\text{DAGs}$). However, dependency structures can vary across subjects, and ignoring this structural heterogeneity introduces bias and obscures subpopulation-specific dependencies. To address this, we propose Directed Acyclic Graph-based Dependency Clustering via Alternating Direction Method of Multipliers (DAG-DC-ADMM), a unified framework built upon Structural Equation Modeling (SEM) that jointly learns cluster assignments and cluster-specific dependency structures. We encode acyclicity via a smooth constraint and integrate a groupwise truncated Lasso fusion penalty (gTLP) to cluster subjects based on their structural similarity. This yields a nonconvex optimization problem that incorporates sparsity, acyclicity, and structural consensus constraints. We address the nonconvexity by using the augmented Lagrangian method and solve it with an adapted version of the Alternating Direction Method of Multipliers (ADMM) for difference-of-convex programs. For certain graph structures, such as upper triangular adjacency matrices, our algorithm is guaranteed to converge to a Karush-Kuhn-Tucker (KKT) point. Experiments demonstrate that our method recovers cluster-specific causal dependency structures with a high true positive rate and a low false discovery rate. This capability enables the robust discovery of heterogeneous dependencies across subjects where the subpopulation label is unknown.

The rapid adoption of deep learning has increasingly led to data-driven models replacing classical model-based algorithms, even in domains governed by well-understood physical laws. While data-driven models, such as long short-term memory (LSTM) networks, have become a popular choice for time-series analysis, their performance relative to model-based approaches in structured environments is rarely evaluated objectively. This paper presents a performance evaluation framework comparing an LSTM classifier against a model-based expectation maximization (EM) classifier for binary time-series classification. The evaluation is conducted on two scalar linear Gaussian state space models differing only in their noise statistics, where the Kalman filter likelihood ratio test with true parameters serves as a reference for the best achievable classification performance.Through Monte Carlo simulations, the classifiers are evaluated across three axes: task difficulty, controlled by the separation in process or measurement noise between the two models; sequence length; and training dataset size. The results show that the EM classifier, which exploits the known model structure, performs strongly when the data conform to the assumed model class. The LSTM classifier requires a larger separation in noise statistics to achieve reliable classification, and its performance saturates below the reference classifier when the models differ only in measurement noise, regardless of sequence length or training dataset size.

We address the open problem of training hypernetworks for Controllable Pareto Front Learning (CPFL) under split feasibility conditions with rigorous theoretical guarantees. We reformulate the constrained Pareto problem as a Bi-Level Scalarized Split Problem (BSSP) and propose the Adaptive Balanced Penalty (ABP) algorithm, whose three gradient components -- optimality, set feasibility, and image feasibility -- are blended through an adaptive indicator driven by a computable lower bound. Using a novel convex surrogate technique, we prove full-sequence convergence under standard convexity and Robbins-Monro step-size assumptions. The ABP penalty structure is then translated into a two-phase, feasibility-first training strategy for Hyper-MLP and HyperTrans architectures (ABP-HyperNet). To evaluate constrained CPFL, we introduce the Expected Feasible Hypervolume (EFHV), which jointly captures solution quality and constraint satisfaction. Experiments on five multi-objective benchmarks validate the ABP solver against ground truth, while three multi-task learning datasets demonstrate that ABP-HyperNet achieves up to 2.3x higher EFHV than unconstrained baselines by raising feasibility from 36-49% to 87-100%.

This paper tackles the task of learning to generate signals over triangle meshes in a triangulation-agnostic manner, meaning the trained model can be applied to different meshes and triangulations effectively. Practically, the paper adapts the flow matching (FM) paradigm to a mesh-based, triangulation-agnostic setting. Theoretically, it proposes a specific noise distribution which is triangulation agnostic, to be used inside the FM model's denoising process. While noise distributions are usually trivial to devise for, e.g., images, devising a triangulation-agnostic distribution proves to be a much more difficult task. We formulate a mathematical definition of triangulation agnosticism of distributions, via their spectrum. We then show that a discretization of a specific Gaussian random field called a Matérn process holds these desired properties, and provides a simple and efficient sampling algorithm. We use it as our noise model, and adapt FM to the triangulation-agnostic setting by using a state-of-the-art approach for learning signals on meshes in the gradient domain -- PoissonNet -- as the denoiser. We conduct experiments on elaborate tasks such as sampling elastic rest states, and generating poses of humanoids. Our method is shown to be capable of producing highly realistic results for meshes of over one million triangles, significantly exceeding the state-of-the-art in quality and diversity.

The exponential growth of big data has intensified the need for efficient and interpretable machine learning models that can handle diverse data characteristics while maintaining computational efficiency. Knowledge distillation has primarily focused on neural network-to-neural network transfer, leaving cross-paradigm knowledge transfer largely unexplored. This paper presents the first comprehensive study of bidirectional knowledge distillation between Random Forests (RF) and Deep Neural Networks (DNN), addressing critical gaps in ensemble learning and model compression for big data applications. We propose novel methodologies including progressive multi-stage distillation, multi-teacher ensemble distillation from diverse tree models, and uncertainty-aware cross-paradigm transfer mechanisms. Through 144 comprehensive experiments across 6 diverse datasets encompassing classification and regression tasks, we demonstrate that bidirectional RF-DL distillation achieves competitive performance while providing complementary benefits: interpretability from tree models and expressiveness from neural networks. Our results show that multi-teacher ensemble distillation consistently outperforms traditional approaches, with NN-COMPACT achieving 98.13% classification accuracy and NN-WIDE reaching 92.6% R^2 score in regression tasks. The proposed framework enables deployment flexibility in big data environments, allowing optimal model selection based on computational constraints and interpretability requirements. This work establishes a new research direction in cross-paradigm knowledge transfer with significant implications for interpretable AI and scalable model deployment in resource-constrained big data systems.

Wireless extended reality (XR) teleoperation provides embodied interaction capability for collecting humanoid robot demonstrations, but the large-scale adoption is restricted by the overhead of high-frequency motion transmission. This paper develops a system framework that integrates sampling, transmission, interpolation, and reconstruction and formulates a communication-rate optimization that aims to minimize the communication energy while maintaining the reconstruction accuracy of robot motion trajectories through dimension-wise sampling-rate control. Since acquiring real-time feedback from physical robots is limited by hardware costs, it is necessary to solve the problem through simulator interaction with offline real-domain data correction. To guide sim-to-real adaptation, we provide a PAC-Bayes generalization characterization that reveals the effects of latent density-ratio estimation, finite-sample deviation, and encoder bias. Building on this analysis, we propose a proximal policy optimization (PPO) method with density-ratio weighting and trust-region regularization. Experiments on public humanoid teleoperation dataset show that the proposed method improves the tradeoff between reconstruction error and communication energy consumption under sim-to-real distribution shift. We further analyze the effectiveness of the proposed algorithm across various wireless channels and dynamic motion trajectories.