This paper studies the next major bottleneck in agentic AI as system scaling, not only model scaling: the design of auditable, persistent, modular, and verifiable architectures around foundation models. We refer to this shift as scaling the harness: treating the structured execution layer around a foundation model as a first-class object of design, evaluation, and optimization. Although recent large language models enable agents to use tools, retrieve information, maintain memory, and execute long-horizon workflows, evaluation remains largely model-centric, often reducing agents to final-task success while treating memory, retrieval, tool use, orchestration, verification, and governance as secondary implementation details. This framing is increasingly inadequate because agent performance emerges from the interaction among the foundation model, memory substrate, context constructor, skill-routing layer, orchestration loop, and verification-and-governance layer. Together, these components form the agent harness, which translates model capability into long-horizon agent behavior. We study scaling the harness through three core bottlenecks: context governance, trustworthy memory, and dynamic skill routing, together with the orchestration and governance mechanisms that coordinate and constrain them. We further outline a research agenda for harness-level benchmarks that go beyond one-shot task success to measure trajectory quality, memory hygiene, context efficiency, communication fidelity, verification cost, and safe evolution over time. To make the discussion concrete, we develop CheetahClaws: https://github.com/SafeRL-Lab/cheetahclaws, a Python-native reference harness, and compare it with Claude Code and OpenClaw. Our main claim is that future progress in agentic AI will depend as much on system design as on stronger foundation models.

Subject-driven image generation aims to synthesize new images that preserve the identity of the given subject while following textual instructions. Existing approaches often encode text and reference images separately. This limits cross-modal reasoning abilities and causes copy-paste artifacts. Recent frameworks that connect multimodal models and diffusion models improve instruction following, but largely overlook identity preservation. To address these limitations, we condition diffusion models on Multimodal Large Language Models (MLLMs) that jointly encode text and reference images, and augment it with VAE-based identity conditioning. A novel Dual Layer Aggregation (DLA) module is designed to aggregate multi-level MLLM features for optimal conditioning, and a multi-stage denoising strategy is applied to progressively balance the semantic information from MLLM and fine-detail identity from VAE during inference. Extensive experiments demonstrate that our approach harmonizes multimodal understanding with identity preservation, mitigates copy-paste issues, and achieves superior performance regarding human preference on subject-driven image generation. Our project website is available at https://zsh2000.github.io/squeeze-mllm-subject-gen/.

Multimodal Large Language Models (MLLMs) achieve versatility by reformulating diverse tasks into a unified instruction-following framework via instruction tuning. However, real-world deployment requires continuous adaptation to emerging tasks, motivating Multimodal Continual Instruction Tuning (MCIT). Despite its growing importance, current MCIT research is hindered by severe engineering bottlenecks. Existing methods are typically implemented by directly modifying the base MLLM codebase, which imposes substantial implementation overhead and yields method-specific architectures that severely limit code reuse and fair comparison. To address this, we introduce Prism, a plug-in reproducible codebase specifically designed for scalable MCIT research. It separates algorithmic development from the backbone implementation via a lightweight plugin registration mechanism, enabling new strategies to be integrated as independent plugins without modifying the underlying MLLM codebase, thereby eliminating structural fragmentation and accelerating method development. Prism natively supports widely used large-scale training pipeline, thereby enabling reproducible and scalable MCIT experimentation. Code is available at https://github.com/LAMDA-CL/Prism.

Masked diffusion models (MDMs) have emerged as a promising alternative to autoregressive models for language modeling, yet the effective design of transformer architectures for MDMs remains underexplored. In this paper, we show that selectively looping the early-middle transformer layers significantly improves both training efficiency and model performance in MDMs. We call this approach LoopMDM(Looped Masked Diffusion Model), which brings two key benefits: looping layers at training-time yields a depth-scaling effect without adding parameters, while varying the number of loops at inference-time enables flexible compute scaling. Despite the simplicity, the results are striking: across multiple pre-training corpora, LoopMDM matches the performance of same-size MDMs with up to 3.3 fewer training FLOPs, while its final performance outperforms them on various reasoning benchmarks, including up to 8.5 points on GSM8K. It even surpasses deeper non-looped MDMs trained with comparable per-step compute, indicating that selective looping is more effective than naive depth scaling. Furthermore, LoopMDM can scale inference-time compute by increasing the number of loops. Adaptively adjusting the number of loops throughout the sampling process further yields additional gains in compute efficiency while maintaining performance. Lastly, with attention analysis, we provide evidence that looping is effective in MDMs by promoting interactions among masked positions. Our code and weights will be publicly released.

Models trained on a new task typically degrade on prior tasks, a phenomenon known as forgetting. Traditionally, mitigating forgetting has required replaying stored exemplars from prior tasks, which is often impractical. By contrast, language models can sample from their own training distribution, and we show that these self-generated samples serve as effective replay data, nearly eliminating forgetting. We find that forgetting nonetheless persists when the model has little remaining capacity: models pretrained close to saturation cannot absorb new information without overwriting prior knowledge. When capacity is not the limiting factor, low learning rates reduce forgetting but require substantially more training steps. Replay breaks this tradeoff, enabling fast, high-learning-rate finetuning without forgetting.

Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions, as only specific parameter directions relevant to the objective truly matter. We propose GoBOED, a goal-driven BOED framework that directly optimizes experimental designs for a specified decision-making objective. GoBOED combines an amortized variational posterior surrogate with a differentiable convex decision layer, enabling gradient-based design optimization that is fully decision-focused. We theoretically show that GoBOED gradients are insensitive to parameter directions irrelevant to the decision objective, providing a formal justification for why goal-driven design achieves equivalent decision quality over a wider set of experimental designs than information-gain maximization. Empirically, across source localization, epidemic management, and pharmacokinetic control, GoBOED identifies designs that better align with downstream decision objectives and reveals that near-optimal design windows are substantially wider than those predicted by goal-agnostic BOED approaches.

Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the agent to design informative experiments and revise its hypotheses, the benchmark probes long-horizon reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.

Efficient learning of user preferences is crucial for many modern decision making systems but typically requires costly labeled data. Active learning reduces this cost, yet standard methods are computationally expensive due to pool-based evaluation. Further, most methods assume all query feedback is equally reliable, ignoring that pairwise queries between nearly identical or entirely dissimilar items yield ambiguous, low-confidence responses. To address the issue of feedback reliability, we introduce a novel confidence aware response model that explicitly accounts for these ambiguous comparisons. To overcome the computational bottleneck of pool-based evaluation, we propose an active query synthesis framework, Info-Synth that generates optimal queries by maximizing a mutual information-based objective within a continuous space. Moreover, we propose two strategies, Pair M-dist and Pair Opt-dist, that extend Info-Synth to select effective queries even when restricted to finite query pools. We demonstrate our framework's versatility and performance across synthetic preference learning, constrained text summary datasets, and subjective, continuous-space controller gain tuning for a simulated mobile robot.

Conditionally positive definite (CPD) kernels are defined with respect to a function class $\mathcal{F}$. It is well known that such a kernel $K$ is associated with its native space (defined analogously to an RKHS), which in turn gives rise to a learning method -- called conditional kernel ridge regression (conditional KRR) due to its analogy with KRR -- where the estimated regression function is penalized by the square of its native space norm. This method is of interest because it can be viewed as classical linear regression, with features specified by $\mathcal{F}$, followed by the application of standard KRR to the residual (unexplained) component of the target variable. Methods of this type have recently attracted increasing attention. We study the statistical properties of this method by reducing its behavior to that of KRR with another fixed kernel, called the residual kernel. Our main theoretical result shows that such a reduction is indeed possible, at the cost of an additional term in the expected test risk, bounded by $\mathcal{O}(1/\sqrt{N})$, where $N$ is the sample size and the hidden constant depends on the class $\mathcal{F}$ and the input distribution. This reduction enables us to analyze conditional KRR in the case where $K$ is positive definite and $\mathcal{F}$ is given by the first $k$ principal eigenfunctions in the Mercer decomposition of $K$. We also consider the setting where $\mathcal{F}$ consists of $k$ random features from a random feature representation of $K$. It turns out that these two settings are closely related. Both our theoretical analysis and experiments confirm that conditional KRR outperforms standard KRR in these cases whenever the $\mathcal{F}$-component of the regression function is more pronounced than the residual part.

Reliable quantification of uncertainty estimates in continuous-time (CT) representation learning remains nascent, particularly within CT attention architectures. We introduce the Neuronal Stochastic Attention Circuit (NSAC), a novel biologically-inspired CT attention architecture that reformulates attention logit computation as the solution of an Ornstein-Uhlenbeck stochastic differential equation modulated by input-dependent, nonlinear interlinked gates derived from repurposed C.elegans Neuronal Circuit Policies (NCPs) wiring mechanism. It induces Gaussian distribution over logits that propagates principled stochasticity through logistic-normal distribution over attention weights to yield probabilistic output. A two-term objective function combining Gaussian negative log-likelihood with an epistemic-separation regularizer enforces higher predictive variance and enables joint quantification of aleatoric and epistemic uncertainty. Empirically, we implement NSAC in a diverse set of learning tasks including: (i) irregular CT function approximation; (ii) multivariate regression; (iii) long-range forecasting; (iv) Industry 4.0; and (v) the lane-keeping of autonomous vehicles. We observe that the NSAC remains competitive against several baselines in terms of accuracy and produces reasonably well-calibrated uncertainty estimates while being interpretable at the neuronal cell level.

Bayesian inverse design provides a principled framework for inferring aerodynamic geometries from sparse flow observations while quantifying uncertainty. However, its practical use in computational fluid dynamics (CFD) is severely limited by the cost of repeated high-fidelity simulations required for gradient-based Markov chain Monte Carlo (MCMC) sampling. While surrogate models are commonly proposed to reduce this cost, their effect on posterior geometry and uncertainty, especially for shock-dominated flows, remains poorly understood. In this work, we demonstrate that neural operator surrogates can be embedded directly within the MCMC inference loop while preserving posterior structure. Using a fully Bayesian inverse formulation of quasi-one-dimensional nozzle flow, we demonstrate that geometry parameterization plays a decisive role in identifiability and posterior conditioning, with cubic B-splines yielding stable and physically meaningful uncertainty estimates. Building on this formulation, a Deep Operator Network trained on CFD-generated data is substituted for the CFD solver within a No-U-Turn Sampler, while keeping the likelihood model, priors, and sampling configuration unchanged. Across sparse to fully observed regimes, surrogate-based inference reproduces the posterior geometry and uncertainty trends of the CFD reference. As a result of surrogate integration, total inference time is reduced to under one second, corresponding to a speedup exceeding three orders of magnitude. In addition, a direct inverse neural operator is examined as a deterministic alternative for inverse design, enabling single-shot geometry reconstruction without posterior sampling. These results demonstrate that neural operator-accelerated Bayesian inference enables practical, uncertainty-aware inverse design workflows for aerodynamic applications.

Urban representation learning encodes complex urban environments into general-purpose embeddings for diverse downstream tasks and emerging urban foundation models. However, current evaluations are limited, typically focusing on one or two cities and tasks and relying on random splits that introduce spatial leakage, leading to inflated performance and weak support for cross-location generalization and fair comparison. To address this, we propose CityRep, a unified benchmark that evaluates urban representations across data modalities, cities, and tasks using spatially structured splits. CityRep consists of three key components: (1) a spatial unit-agnostic evaluation framework that supports heterogeneous urban representations through a standardized alignment module; (2) a unified evaluation protocol using block-based spatial splits to mitigate spatial leakage and enable rigorous model comparison; and (3) an extensible multi-city, multi-task benchmark suite spanning 8 cities and 8 tasks across regression, classification, and distribution prediction. We evaluate 11 representative urban representation models. Results show that performance is highly sensitive to the split protocol, with random splits inflating scores and altering model rankings. We also observe substantial variability across cities and tasks, underscoring the need for generalization-aware evaluation. CityRep is released as a reproducible benchmark with datasets, evaluation pipelines, and diagnostic tools to facilitate fair comparison and support future research in urban representation learning towards urban foundation models.

Length generalization remains a persistent challenge for neural networks: recurrent models tend to suffer from positional biases, while transformers are constrained by fixed computational depth. Regular languages provide a frequently used testbed for evaluating length generalization, as label prediction can be checked for any sequence length. We propose MLP-LDRU, a type of Log-Depth Recurrent Unit, which captures a class of associativity-biased operators designed to approximate recurrence through parallel reduction. We evaluate MLP-LDRU on 21 regular-language tasks, consisting of standard benchmarks and new prefix languages, where it achieves 100% out-of-distribution accuracy on 18 tasks and at least 99.9% on the remaining 3 when increasing max training length, outperforming comparable recurrent and attention-based models. We further evaluate MLP-LDRU beyond regular languages on ListOps and NLP classification benchmarks, where it performs competitively.

Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce $\textbf{SKILD}$, a $\textbf{S}$cale-invariant $\textbf{K}$-Space $\textbf{I}$mage $\textbf{L}$earning $\textbf{D}$iffusion model that unifies generation and continuous super-resolution within a single unconditional framework. Both natural images and critical physical systems exhibit scale invariance, and we leverage it to design a forward process that attenuates image content from fine to coarse scales while injecting spectrum-matched Gaussian noise, making scale an explicit coordinate of the diffusion dynamics. The same trained reverse process performs generation and continuous super-resolution by varying only the starting timestep: $\textit{no task-specific architecture, no conditioning branch, no classifier-free guidance, no retraining per scale factor}$. Empirically, SKILD reaches FID $2.65$ and Inception Score $9.63$ on unconditional CIFAR-10, performs $2\times$--$8\times$ super-resolution on ImageNet from a single unconditional checkpoint while outperforming conditional models across perceptual metrics, and reconstructs critical Ising models whose connected four-point correlations closely track the ground truth.

Light sheet fluorescence microscopy (LSM) enables high-resolution, three-dimensional (3D) imaging of biological specimens, providing rich volumetric data for studying cellular organization, pathology, and vascular networks. However, the size, dimensionality, and annotation burden of LSM data make supervised deep learning approaches costly and difficult to scale. Additionally, despite the abundance of unannotated LSM volumes, foundation models for this modality remain underexplored due to computational challenges and the complexity of volumetric representation learning. In this work, we introduce a 3D foundation model for LSM data, pretrained on a large curated collection of 3D images spanning multiple organisms, stains, and imaging protocols. We learn transferable volumetric representations by jointly optimizing for masked reconstruction and image-text alignment. The pretrained backbone drastically reduces the annotation burden, enabling efficient, few-shot adaptation for varied downstream tasks. We evaluate this approach on downstream segmentation, classification, and deblurring. Our results demonstrate consistent improvements over baselines, (1) when measured using standard evaluation metrics and (2) when rigorously assessed by domain experts. This highlights the potential of foundation model pretraining to reduce annotation requirements while improving performance across diverse LSM analysis tasks. Pretrained model weights and code for pretraining and finetuning are publicly available: https://github.com/AdinaScheinfeld/lsm_fm_public_repo.git.

Online Terms of Service often function as contracts of adhesion, creating asymmetries that may expose consumers to potentially abusive clauses. In Chile, assessing such clauses is legally challenging because some provisions clearly violate mandatory consumer law, whereas others depend on broader standards such as good faith and contractual imbalance. We present a retrieval-augmented generation framework for the automated detection and classification of potentially abusive clauses in Chilean Terms of Service. Designed for local execution, it combines efficient clause detection, hybrid dense--sparse retrieval, reranking, and prompt augmentation to support medium-sized open-weight language models. We also introduce the Chilean Abusive Terms of Service Extended corpus, comprising 100 contracts and 10,029 annotated clauses in 24 legally grounded categories spanning illegal, dark, and gray clauses. Experiments comparing commercial and open-weight language models, fine-tuned encoders, and traditional baselines show that retrieval-augmented prompting substantially improves performance and enables local models to approach larger cloud-based systems at lower computational and token cost. The study also contributes a refined legal annotation scheme and a practical design for AI-assisted consumer contract review.

We introduce AdvantageFlow, a forward-process reinforcement learning algorithm for rectified flow models. Unlike Flow-GRPO, which optimizes the reverse process, we optimize an advantage-weighted forward-process prediction loss. This optimization problem is unstable when advantages are negative and the loss becomes non-convex. We stabilize it by rollout policy regularization, which reduces variance and arises from fitting a local reward-improving target distribution. We evaluate AdvantageFlow on image generation tasks with Stable Diffusion 3.5 Medium. It outperforms both Flow-GRPO and a state-of-the-art forward-process RL baseline based on negative-aware fine-tuning.

Deep reinforcement learning (RL) agents commonly rely on high-dimensional neural representations, despite growing evidence that task-relevant value and policy structure may be intrinsically low-dimensional. In this work, we present a simple yet effective representation-level prior that inserts a fixed orthonormal projection to constrain encoder features to a low-dimensional subspace, requiring no auxiliary objectives, pretraining, or changes to the underlying RL algorithm. Under a linear realizability assumption, we prove that when the bottleneck dimension exceeds the intrinsic rank of the optimal value function in feature space, the bottleneck preserves expressivity and leaves the induced gradient dynamics unchanged up to an equivalent low-dimensional parameterization. Empirically, we find that across both single and multi-task benchmarks, baseline performance is either matched or improved once the bottleneck dimension exceeds a small task-dependent threshold; in many cases, value representations can be compressed to extremely low dimensions without loss, and the minimal sufficient dimension depends far more on environment complexity than encoder width. In addition, we analyze representation geometry and find that orthogonal bottlenecks stabilize feature norms and are associated with higher effective rank. Together, these results support a representation-space interpretation of the manifold hypothesis in reinforcement learning and position orthogonal bottlenecks as a lightweight, architecture-agnostic mechanism for shaping RL representations.

Stochastic gradient descent (SGD) is a foundational algorithm for large-scale statistical learning and stochastic optimization. However, statistical inference based on SGD iterates remains challenging when stochastic gradients have infinite variance, as the relevant limiting distributions depend on unknown nuisance parameters. In this paper, we develop an efficient, model-agnostic methodology for constructing confidence regions from SGD trajectories that applies in both finite- and infinite-variance regimes. The procedure is based on a joint weak convergence result for the Polyak-Ruppert averaged estimator and an empirical second-moment normalizer constructed from stochastic gradients along the SGD trajectory. This joint limit yields a self-normalized statistic in which the leading tail-dependent scaling terms cancel. We then use a subsampling calibration scheme to estimate the relevant critical values, avoiding explicit estimation of tail indices, slowly varying functions, or stable-law parameters. The resulting confidence regions are straightforward to implement and are asymptotically valid under both the finite- and infinite-second-moment regimes. Simulation studies show reliable coverage in various settings, supporting the proposed method as a practical tool for uncertainty quantification in stochastic optimization.

Large language model (LLM) development is currently driven by large-scale empirical iteration over data mixtures, reward models, routing strategies, and evaluation pipelines. Here, we argue that many central questions in LLM development and evaluation are inherently causal: What is the effect of adding a data domain during pretraining? How do annotator preferences change when LLMs generate text in a different style? Should a prompt be routed to a larger or smaller model given inference cost constraints? In general, causal methods are well-suited to such settings where interventions change outcomes but, surprisingly, are underrepresented in LLM development. Our contribution is threefold: (1) We explain how causal methods can help develop modern LLM development and evaluation: LLM development relies heavily on logged data, which are often subject to confounding and distribution shifts; evaluation uses learned but potentially biased judges; and deployment environments are non-stationary. These conditions make purely predictive approaches fragile and create opportunities for principled identification and estimation methods from causal inference. (2) We further map opportunities for causal methods in the entire LLM development pipeline, including pretraining, alignment, routing, agentic workflows, and evaluation. (3) We discuss new research opportunities around leveraging causal methods for LLM development and evaluation. Overall, we argue that causal methods are potentially underutilized for the LLM development and evaluation pipeline, despite the fact that such methods can ensure a reliable and scientifically grounded design.

Benchmarks increasingly guide deployment, procurement and scientific screening, yet a score supports only the response it records, not necessarily the deployment action. We introduce deployment-complete benchmarking, which tests whether benchmark evidence determines a deployment action. A benchmark is complete for a claim exactly when the action is constant on each evidence fiber; mixed fibers expose missing deployment information, and completion curves quantify the evidence required to resolve ambiguity. In controlled response spaces, benchmark-channel conformal coverage of 94.98% transferred poorly to an unmeasured deployment channel (10.07%), whereas response-rank intervals achieved 94.91% coverage; even zero benchmark error certified only 45.4% of candidates at the largest residual size. Public audits revealed incompleteness, including 97.9% mixed Tox21 fibers and zero median certifiable fraction in main Matbench and JARVIS audits. In held-out replays, certify-then-acquire reduced false decisions from 1.19% to 0.027% in Tox21 and from 20.3% to 0.128% in JARVIS, while changing model choice and identifying deployment-relevant probes. Deployment-ready benchmarks should report evidence, supported actions, ambiguity and completion cost rather than scores alone.

Survival analysis aims to model how covariates and time jointly shape the time-to-event distribution under right censoring. Classical methods such as the Cox model and generalised additive models (GAMs) require interactions and time-varying effects to be manually specified, which is increasingly impractical on rich clinical datasets. We introduce KAPLAN-HR, a B-spline Kolmogorov-Arnold Network (KAN) for nonparametric estimation of the conditional hazard as a joint function of covariates and time. A single-layer KAPLAN-HR model recovers a GAM, while deeper architectures capture interactions and time-varying effects through composition. We establish a convergence rate for the nonparametric KAN hazard estimator that depends only on the smoothness of the underlying KAN representation and not on the covariate dimension, thereby mitigating the curse of dimensionality for KAN-representable targets. In evaluations over six clinical benchmark datasets, KAPLAN-HR matches or exceeds the predictive performance of established statistical and deep learning survival methods.

We introduce PLACE (Persistence-Landmark Analytic Classification Engine), a closed-form pipeline for classifying point clouds and graphs through their persistent-homology signatures. Three quantitative guarantees -- a margin-based excess-risk rate, a closed-form descriptor-selection rule, and a per-prediction certificate -- are derived from training labels alone, with no learned weights or held-out calibration. The embedding sums Mitra-Virk single-point coordinate functions over a sparse landmark grid; the closed-form weight rule $w_k^2 \propto (d_{k+1}^2 - d_k^2)/R_k^2$ maximizes the distortion slope in Mitra-Virk's affine certificate under $ν$-coherence. (i) An $O(kR/(Δ\sqrt{m_{\min}}))$ margin bound, driven by class-mean separation $Δ$ and embedding radius $R$, matched in the sample-starved regime $m \lesssim R/Δ$ by a Le Cam minimax lower bound. (ii) The Mahalanobis margin under Ledoit-Wolf-shrunk covariance is the strongest closed-form ranker on a 64-descriptor chemical-graph pool (mean Spearman $ρ= +0.56$ across 11 benchmarks, positive on 10 of 11); the isotropic surrogate $Δ/\sqrt{\ell}$ admits a closed-form selection-consistency rate on the homogeneous protein/social pools. (iii) A training-time-decided certificate, with no per-prediction overhead, in three concrete radii (Pinelis, Gaussian plug-in, and variance-aware Pinelis-Bernstein). Empirically, PLACE is the strongest diagram-based method on Orbit5k and matches the strongest topology-based baseline within statistical noise on MUTAG and COX2; remaining gaps fall into two diagnosable regimes (descriptor blindness on NCI1/NCI109; pool-coverage limits elsewhere). The Pinelis-Bernstein radius fires on 8 of the 12 benchmarks; on MUTAG the empirical and population nearest-centroid rules agree on every one of 940 held-out test predictions, validating the certificate's mechanism.

We introduce Fuzzy PyTorch, a framework for rapid evaluation of numerical variability in deep learning (DL) models. As DL is increasingly applied to diverse tasks, understanding variability from floating-point arithmetic is essential to ensure robust and reliable performance. Tools assessing such variability must be scalable, efficient, and integrate seamlessly with existing frameworks while minimizing code modifications. Fuzzy PyTorch enables this by integrating stochastic arithmetic into PyTorch through Probabilistic Rounding with Instruction Set Management, a novel library interfacing with Verificarlo, a numerical analysis compiler. The library offers stochastic rounding mode and a novel mode; up-down rounding. Comparative evaluations show Fuzzy PyTorch maintains model performance and achieves runtime reductions of 5x to 60x versus Verrou, a state-of-the-art tool. We further demonstrate scalability by running models from 1 to 341 million parameters, confirming applicability across small and large DL architectures. Overall, Fuzzy PyTorch provides an efficient, scalable, and practical solution for assessing numerical variability in deep learning, enabling researchers and practitioners to quantify and manage floating-point uncertainty without compromising performance or computational efficiency.

This paper provides an empirical implementation of the creative quality metric proposed in Calibrated Surprise (Zou & Xu, 2026a). The question this paper addresses is: does this mathematical claim hold at the engineering level? To make the answer as general as possible, we deliberately choose the strictest engineering conditions: low data cost and a small base model. Training data comes from approximately 100 expert chain-of-thought (CoT) annotations produced by the BC Protocol (Zou & Xu, 2026b). We also identify a data bias: most publicly available alignment datasets are skewed toward craft-related knowledge, while audience modeling and reality-logic coverage are systematically weak. We use the term Creative Quality Alignment (CQA) to describe this class of engineering methods. We also offer a supporting theoretical observation: in an LLM with a single conditional distribution architecture, calibrating the appreciation side automatically transfers to the generation side via architectural duality. This is the structural reason why ~100 CoT examples are sufficient -- not a purely empirical observation like LIMA (Zhou et al., 2023).

As policy catches up with the capabilities of generative AI, watermarking is central to content provenance efforts. Inference-time watermarks for autoregressive models are unfit for continuous modalities due to discretization inconsistencies. Existing methods overcome this by finetuning the modality tokenizers, nullifying the watermark's training-free advantage. In this work, motivated by the vocabulary redundancy of discretization, we propose an elegant solution for powerful and robust watermarking of synthetic audio. We theoretically analyze the impact of token errors on watermark detection, and effectively mitigate them using a reduced vocabulary obtained via community detection. Thorough experiments showcase that our gradient-free method can boost detectability by several orders of magnitude, while also achieving built-in robustness to audio modifications. Broadly, we discover a new state-of-the-art for token-level watermarks in multimedia, which simply arises from the nature of discrete representation learning.

We test whether the optimal learning-rate schedule depends on bit-width during from-initialisation quantisation-aware training (QAT) for sub-100M decoder language models. A 720-run factorial grid (Phase 2) over bit-width x warmdown fraction x LR magnitude x model size x seed (FP16/INT8/INT6, 15M-100M, 5 seeds) finds the optimal warmdown is 33% at every (bit-width, size) cell. The primary hypothesis -- that INT6 QAT requires a different schedule than higher-precision training -- is falsified at FP16/INT8/INT6. A 625-run follow-up (Phase 5) probes the null along five axes: optimiser (AdamW), schedule shape (cosine), training length (up to 9x more iterations), an extended size sweep (5M-350M), and an INT4 sweep from 3M to 100M. The null is robust under all three setup changes. The INT6 penalty follows a log-linear scaling law whose fit on Phase 2 predicts the five held-out Phase 5 sizes (5M, 8M, 175M, 250M, 350M) within their 95% prediction intervals (5/5). For INT4 the picture is sharper than the higher precisions: at 50M and 100M, wd33 is decisively optimal (paired z ~ 12-15, 10/10 seeds); below 50M, across the six tested sizes from 3M to 30M, no individual size shows a statistically significant schedule preference and the per-size mean penalty oscillates within seed-level noise. The boundary is therefore a transition between a noise-dominated regime below 50M and a decisive wd33 regime at and above 50M, not a clean wd10 region. A weight-to-grid-distance probe falsifies the simplest mechanism for the FP16/INT8/INT6 null result (rapid grid-snapping): pre-warmdown, INT6-QAT weights sit at essentially the same distance from the INT6 grid as FP16 weights (ratio ~ 1.04). Practical recommendation: at sub-100M scale, tune the LR schedule once at FP16 and apply unchanged to INT8/INT6 QAT; for INT4 at 50M+ use wd33; for INT4 below 50M the schedule choice is in the noise.

Large language models (LLMs) face a dual challenge in creative capability evaluation: existing benchmarks (e.g., Story Cloze Test, HellaSwag) measure models' discriminative ability over narrative continuation using multiple-choice recognition paradigms, rather than directly measuring creative generation capability; rubric-based scoring and LLM-as-Judge methods rely on subjective dimension assessment or natural language model outputs, and cannot provide objective, automated scoring mechanisms. This paper proposes QUIET (Quality Understanding via Interlocked Evaluation Testing), a diagnostic benchmark for LLM creative capability based on multi-blank cascaded story cloze. QUIET sets N blanks (10-20) in a story with complete structure, with each blank accompanied by an explicit content constraint, and cascade dependency relationships between blanks -- the content filled into earlier blanks constrains the feasible solution space for later blanks. The evaluated model (or human participants) fills all blanks in open-ended generation mode; the results are scored by an information-theoretic automated scoring protocol without human grading. The scoring protocol directly operationalizes the "calibrated surprise" theoretical framework (Zou & Xu, 2026a). For each blank k, a composite score is computed: score = satisfy * (1 + lambda * surprise), where lambda = 1.0. Here, "satisfy" measures how well the blank filling satisfies the content constraint (objective logical reasoning judgment, not subjective aesthetic scoring), and "surprise" measures the degree of surprise given that the constraint is satisfied. Creative answers that do not satisfy the constraint score zero; answers that satisfy the constraint but are mediocre score low; answers that satisfy the constraint and are surprising score high.

Despite the strong reasoning capabilities of large language models (LLMs), optimizing the execution efficiency of tensor programs remains challenging due to the need for precise, composable transformation decisions. Recent LLM-guided approaches frame tensor program optimization as an iterative decision process, but existing datasets provide only end-to-end optimized program pairs using token-inefficient representations, lacking verifiable step-level supervision and interpretability. As a result, LLMs struggle to make reliable single-step decisions in large combinatorial optimization spaces. We introduce Step-TP, a post-training dataset for tensor program optimization that provides grounded, atomic, step-level supervision with structured chain-of-thought (CoT) reasoning. Step-TP forms a closed reasoning loop over intermediate program states, enabling reliable multi-step optimization rather than outcome imitation. Its design is guided by four principles: (i) a token-efficient, verifiable intermediate representation (IR) that deterministically lowers to TVM TIR; (ii) atomic and composable optimization strategies that decompose complex trajectories into interpretable single-step decisions; (iii) structured CoT supervision coupled with explicit IR-to-IR state transitions; and (iv) strategy filtering to balance coverage while preventing shortcut exploitation. The dataset and implementation are available at a GitHub link, https://github.com/LIUMENGFAN-gif/StepTP.

Neural PDE solvers have followed the scaling trajectory of vision and language, with recent foundation models reaching billions of parameters. We argue that scale is a poor substitute for architectural inductive bias in this domain: structured priors deliver outsized parameter efficiency, and the pattern of where they succeed and fail is itself informative about what they capture. We instantiate this argument in WaveLiT, an architecture combining a discrete wavelet transform for lossless multi-resolution tokenization, an augmented linear attention block, a shared-weight multiscale feature pyramid, and a wavelet-domain auxiliary loss. Bespoke 1-10M-parameter WaveLiT models compete with foundation models of 100-1000$\times$ their size across eight TheWell benchmarks, with the largest gains on wave and acoustic-dominated benchmarks where the wavelet-multiscale prior fits the dominant dynamical structure and small per-step errors do not compound geometrically under rollout. Trained jointly across all eight benchmarks, a 10M-parameter foundation variant exhibits a structured, physically interpretable transfer pattern -- strongest where the wavelet-multiscale prior matches the dynamics, weakest on chaotic advection-dominated flows. The entire pipeline trains on a single GPU. The results suggest that small-model PDE performance is shaped by architectural inductive bias rather than scale, and that the structure of a prior's failures is a useful empirical signal about its content.

Recent research in time series forecasting frequently investigates the integration of textual and visual modalities with numerical models to better navigate non-stationary environments. Despite delivering solid numerical results, existing multi-modal approaches usually encounter a dilemma: prioritizing the minimization of average errors can result in excessively smooth forecasts that overlook essential fluctuations. To resolve this limitation, we introduce STaT, an innovative multimodal architecture for Symbolic-Temporal-Textual Alignment, which seamlessly unites three synergistic modalities. Specifically, the symbolic modality converts continuous time series into discrete tokens, facilitating the accurate identification of structural patterns and turning points; the temporal modality extracts inherent sequential dependencies; and the textual modality leverages domain semantics to steer the macroscopic forecasting trends. Comprehensive evaluations on eight real-world benchmarks indicate that STaT delivers exceptional performance, enhancing conventional magnitude indicators by up to 8.9% while simultaneously decreasing shape distortion by up to 8.5%.

We here study whether training biases can make hidden neurons specialize in minimal one-hidden-layer MLPs, and whether such specialization improves prototype-based reconstruction of the training dataset from the learned weights. We consider Gaussianactivation MLPs of width equal to dataset size and compare three structural losses that respectively encourage coverage of the training samples, separation between neuron-induced prototypes, and low overlap of hidden responses, against the standard fitting baseline. Experiments on uniformly sampled one-dimensional datasets show a stable pattern from N = 3 to N = 100 across 480 controlled runs. Coverage regularization gives the lowest mean reconstruction error at every tested size and raises the prototype-usage specialization ratio relative to the standard baseline, while separation has mixed effects and overlap penalties are systematically harmful. We show that the harm is not an optimization failure: overlap-active approaches fit the data as well as overlap-free ones but route the optimizer to a degenerate equilibrium in which prototype centers are pushed outside the convex hull of the training inputs. Coverage cannot reward this expulsion and acts as an attractor: separation admits it only at large temperature and overlap admits it at the nominal hyperparameter choice. A direct τ-sweep on the separation-only mask and a prototype-position visualization at N = 100 confirm the mechanism. The findings yield a simple design principle for prototype-recoverability-aware training: every repulsive structural loss must be compensated by a compatible attractor, or it will collapse the latent geometry it was meant to refine.

We present a dataset of adversarial malware samples derived from the public RawMal-TF collection of real-world malware binaries. Using a suite of adversarial malware generators, we construct two sets of adversarial PE files: 44,347 family-labelled samples and 33,596 type-labelled samples, achieving evasion rates of 98.35 % and 92.20 % against the EMBER classifier, respectively. Each adversarial binary is accompanied by detailed metadata, including EMBER scores and VirusTotal classifications. We further demonstrate the susceptibility of malware classification pipelines to data poisoning attacks through a series of training experiments. Injecting fully mislabelled adversarial samples representing only 0.5 % of the training data in the family-labelled dataset increases the evasion rate against the re-trained classifier from 26.1 % to 92.8 %. The dataset is publicly released to facilitate future research on adversarial malware, poisoning attacks, and the robustness of machine-learning-based malware detection systems.

Posttraumatic stress disorder (PTSD) is a prevalent and debilitating mental health condition with significant personal and societal impacts. Current clinical assessments of PTSD often rely on subjective evaluations, which can be time-consuming, costly, and prone to human bias. This study proposes a machine learning (ML) approach based on multivariate kernel density estimation (MKDE) technique for the objective evaluation of PTSD severity. We collected heart rate (HR) and galvanic skin response (GSR) signals as well as PTSD Checklist - Military Version (PCL-M) labels from 21 participants during an immersive simulation. A fear-response model was trained on a public arachnophobia dataset, and predictive features of PTSD were extracted from the fear-response curves estimated on the military dataset. The model achieved an accuracy of 86\% in classifying PTSD status, effectively distinguishing participants with and without PTSD (PCL-M threshold of 36). The average mean absolute error (MAE) of the models is 5.6, and it estimated a clinical PTSD severity scale with a mean absolute percentage error of 17\%. Our algorithm demonstrates promising potential for enhancing estimation of PTSD severity and followup by offering an objective and low-effort evaluation approach using physiology. These findings suggest clinical utility in both screening and follow-up settings.

Recent automated essay scoring (AES) studies increasingly use pretrained transformer models, but these models are usually pretrained on general-domain English and may under-represent second-language learner writing. This study investigates whether domain-adaptive continued pretraining (DAPT) on the EFCAMDAT learner corpus improves transformer-based AES for English proficiency tests. We apply DAPT to three transformer encoders and evaluate them on FCE and IELTS in both in-domain scoring and few-shot cross-dataset transfer. Full-corpus DAPT produces mixed results across models, datasets, and metrics. Further analyses suggest that these mixed effects are partly explained by mismatches in proficiency, genre, and communicative purpose between EFCAMDAT and the downstream datasets. A proficiency-based ablation shows that targeted DAPT using CEFR-aligned subsets improves downstream scoring more reliably than full-corpus DAPT, especially for FCE with B1--B2 data. However, these gains do not consistently improve cross-dataset transfer. Overall, the findings suggest that continued pretraining on a learner-writing corpus can benefit in-domain AES for English assessment when the pretraining data is sufficiently aligned with the downstream assessment settings. However, it does not automatically improve transferability across different English proficiency test datasets.

Federated edge learning (FEEL) has recently emerged as a promising paradigm for achieving edge intelligence (EI) via enabling collaborative model training across edge devices while protecting data privacy. In this paper, we put forth an online optimization framework that jointly manages federated training and inference on resource-constrained edge devices. We introduce a tandem-queue-inspired conversion mechanism that bridges inference requests and training data, and further incorporate both data and model freshness into the accuracy formulation to capture temporal dynamics in real-world environments. To maximize inference accuracy while minimizing latency and energy consumption, the mode selections, communication, and computation resource allocations of edge devices are jointly optimized. We formulate this optimization as a multi-objective optimization problem, which is NP-hard and further complicated by the online setting. To address these challenges, we transform the problem into a multi-objective Markov decision process (MOMDP) and develop a \underline{c}onstrained \underline{m}ulti-\underline{o}bjective \underline{p}roximal \underline{p}olicy \underline{o}ptimization (C-MOPPO) algorithm. Specifically, C-MOPPO first learns a set of policies with different preferences across three objectives, then leverages constrained policy optimization to enrich the Pareto front and obtain high-quality, dense solutions. Extensive experiments demonstrate that C-MOPPO achieves well-balanced trade-offs among objectives and significantly outperforms baselines under various system configurations.

Activation verbalization explains hidden representations in natural language, but existing methods are mostly limited to self-explanation, where each model explains only its own activations. We introduce Universal Activation Verbalizer (UAV), a framework that uses a shared decoder to explain activations from heterogeneous donor models. UAV learns a lightweight adapter that converts donor activations into soft tokens in decoder's embedding space, and further supports adapter-only transfer by reusing a frozen decoder-side LoRA while training only a new adapter for another donor. Across classification, fact retrieval, and gist summarization, UAV remains competitive with strong self-explanation baselines while enabling cross-model verbalization across model families and scales. Ablations show that decoder-side tuning mainly improves task behavior, whereas the adapter provides the activation-grounded factual and semantic information needed for faithful explanations.

Predicting stock price movements during Earnings Announcements (EAs) is a significant challenge due to market noise and high-impact price discontinuities. In this study, we evaluate whether pre-announcement news sentiment, firm fundamentals, and recent market dynamics jointly predict the directional price movement of equities on EA days. We construct a multi-modal feature space combining 15 fundamental metrics, 3 price-based technical indicators and sentiment scores derived from financial news articles processed using FinBERT. We compare a Long Short-Term Memory (LSTM) network and a Transformer-based architecture against a logistic regression baseline, and further assess all models with and without sentiment features to quantify their incremental value. Our results indicate that while the LSTM demonstrates higher precision through a conservative safe-bet strategy, the Transformer model exhibits superior sensitivity in identifying volatile movements, achieving a higher macro F1-score, with ablation experiments showing a consistent benefit from incorporating news sentiment.

This paper applies machine learning to the difficult and important task of version control merging. (1) We constructed a dataset, Merge-Bench, of 7938 real-world merge conflict hunks from 1439 GitHub repositories. The ground truth is the merge resolution that developers committed to the repository. Our dataset construction methodology is scalable to arbitrary amounts of data since no manual labeling is required. (2) We trained a model, LLMergeJ, to resolve merge conflicts in Java programs. Our approach uses Group Relative Policy Optimization (GRPO), an online reinforcement learning method, to train a Large Language Model (LLM). (3) We performed two evaluations of the performance of LLMs on resolving merge conflicts. On Java programs, LLMergeJ with 14B parameters outperforms 3 commercial LLMs, trailing only Gemini 2.5 Pro. Across 11 programming languages, commercial LLM performance is largely stable from language to language. The best models correctly resolve less than 60% of merge conflicts.

We study how an e-commerce firm should make real-time fulfillment decisions in a two-layer distribution network when multi-item customer orders arrive sequentially and future demand is unknown. The central managerial tension is whether to use scarce front distribution center (FDC) inventory to save current fulfillment cost or preserve that inventory for future orders that may be more valuable to serve locally. We formulate an adversarial online model with multiple FDCs, one regional distribution center (RDC), multi-unit multi-item orders, and item-specific and time-varying variable costs. Our theoretical objective is to characterize when simple, interpretable, and implementable fulfillment rules can perform nearly as well as an optimal clairvoyant planner. We develop a family of Gated Priority-based Greedy policies, derive competitive-ratio guarantees under both time-varying and time-invariant cost structures, and establish matching or near-matching lower bounds for any online algorithm. Numerical experiments show that the proposed policies perform strongly relative to generalized myopic and forecast-based benchmarks. The analysis yields managerial guidance on when local inventory should be protected, when splitting orders is worth the fixed-cost burden, and how the relative magnitudes of fixed and variable costs determine the value of more sophisticated optimization.

Recent advances in uncertainty quantification increasingly emphasise the distinction between aleatory and epistemic uncertainty in machine learning, motivating the need for more unified frameworks. However, despite much progress in producing reliable predictions, existing methods often lack rigorous guarantees when generalising beyond the training domain. We propose a conformalised imprecise inference framework for robust extrapolation, which is model-agnostic and augments predictive models with imprecision and distance awareness. The proposed approach yields imprecise predictions (probability boxes) that remain valid under distributional shift, maintaining coverage while adaptively expanding uncertainty in extrapolation regimes. Experiments on synthetic and benchmark datasets demonstrate improved robustness and reliable coverage compared to standard probabilistic approaches, particularly under limited data.

Large-scale transformer training and deployment are increasingly constrained by the transfer of activations, gradients, and optimizer states across accelerators. Low-bit quantization offers a natural remedy, but transformer activations are often heavy-tailed and outlier-dominated, making simple quantization highly lossy. We show that this difficulty is not only a property of the quantizer, but also of the architecture. Specifically, residual connections can drive transformer activations away from Gaussianity during training. Using controlled comparisons between residual and residual-free transformers, we demonstrate that this effect leads to substantially higher quantization error and accuracy degradation at low precision in residual models. We explain the phenomenon through an excess kurtosis analysis, showing that residual mixing can amplify non-Gaussianity, whereas dense mixing in residual-free contracts non-Gaussianity. We then show that residual-free transformers can be made trainable using orthogonal initialization, spectral or second-order optimization, and depth-aware scaling of attention temperature. In language tasks, while there is a small drop in full precision performance, these models retain near-Gaussian activations and exhibit significantly improved robustness to low-bit quantization. Our results identify an accuracy--compressibility trade-off in transformer design and motivate architecture-level approaches to quantization-friendly foundation models.

The speed and accuracy of an artificial teammate fundamentally alter the failure states of Human-AI integration. While high-speed AI interventions risk inducing reflexive blind compliance, delayed interventions can induce ambiguous cognitive conflict. This study investigates how the fundamental characteristics of an in-task AI assistant, Fast/Less-Accurate (FLA-AI) versus Slow/Accurate (SA-AI) impact the synergy of Collaborative Brain-Computer Interface (cBCI) teams in a Virtual Reality drone task. Seventeen operators completed continuous search tasks under high cognitive workload while their spatial covariance was mapped using a 2D Adaptive Riemannian Oracle. The results mathematically demonstrate that AI timing dictates the mechanism of team failure. Fast AI induced instant, blind compliance; human accuracy under deception collapsed to 50.2%, and pure behavioural teams (N=8) failed to scale beyond 74.1%. In contrast, Slow AI induced delayed cognitive conflict; humans hesitated (61.1% accuracy), but N=8 behavioural teams eventually recovered to 100.0%. Crucially, the Riemannian Oracle mathematically adapted to these states: it heavily restricted temporal windows (< 0.8s) to intercept fast reflexive compliance, while widening windows (> 1.2s) to capture delayed cognitive conflict. Integrating these isolated veridical signals via Hybrid Fusion successfully rescued the Fast AI team (+7.6% at N=8) and significantly accelerated the recovery of smaller Slow AI teams (+6.9% at N=4). These findings prove that cBCI synergy is heavily contingent on the temporal dynamics of trust, providing a critical framework for designing dynamically gated Human-AI systems.

Accurately predicting crystal properties is critical for accelerating materials discovery, but it is often limited by scarce labeled data and costly theoretical calculations. To alleviate this, we propose UNATE (Unsupervised Atomic Embedding), a framework that leverages structural information extracted from unlabeled crystal structures. UNATE integrates an unsupervised denoising autoencoder with self-supervised contrastive learning to learn robust atomic representations, which are then used as input features for downstream property prediction. Experimental results show that replacing raw atomic numbers with UNATE-pretrained node embeddings yields a 2.7\% improvement over the full-data baseline. Notably, the benefits become more pronounced in scenarios with limited labeled data, reaching improvements of up to 10\% when only 25\% of the labeled data is used.

Large Language Models (LLMs) have achieved remarkable advancements in reasoning capabilities empowered by Reinforcement Learning with Verifiable Rewards (RLVR). Nonetheless, RLVR intrinsically relies on ground-truth labels for reward computation, the acquisition of which is often prohibitively expensive in real-world scenarios. While unsupervised RLVR paradigms attempt to circumvent this by training on pseudo-labels, they are notoriously susceptible to training collapse. Moreover, different samples often exhibit varying annotation values. In this paper, we propose Reinforcement Learning with Active Verifiable Rewards (RLAVR), which actively acquires ground-truth labels for a small set of selected samples and integrates them with pseudo-labels, thereby stabilizing training dynamics and improving performance under limited annotation budgets. To identify valuable samples, we propose the Corrective Advantage Gap (CAG) metric and analyze the sample-level supervision value. Building on this, we introduce Correction-Aware Reliability Estimation for RLAVR (CARE), which translates the oracle CAG criterion into a practical pre-query acquisition policy to substantially improve training stability. Extensive experiments across diverse domains, model families, and model scales demonstrate the effectiveness and generality of our approach. Our code is available at https://github.com/Lumina04/CARE.

We study the mean-squared error of $k$-fold cross-validation as a risk estimator, with particular emphasis on how its accuracy depends on the number of folds $k$. Despite the widespread use of cross-validation, principled guidance for choosing $k$ is largely absent, mainly due to the complex dependence between fold-wise error estimates. To obtain sharp and interpretable results, we focus on the majority algorithm in binary classification, a minimal yet nontrivial empirical risk minimization procedure. We provide a fine-grained analysis of its cross-validation behavior, showing that even this simple algorithm exhibits subtle and delicate phenomena for which existing theory provides loose and even vacuous bounds. Leveraging this analysis, we introduce a minimax framework for cross-validation risk estimation and prove that no empirical risk minimization algorithm can achieve an $O(1/n)$ minimax mean-squared error when the number of folds grows with the number of samples $n$; instead, a lower bound of order $Ω(\sqrt{k}/n)$ is unavoidable. Our results reveal fundamental limitations of cross-validation as a data-reuse strategy, clarify gaps and inaccuracies in prior theoretical work, and position the majority algorithm as a natural benchmark that any tight analysis of cross-validation should be able to explain.

This paper investigates large language model (LLM) abstention learning, specifically using ternary reward, which incentivize truthfulness in large language models. This paper extends that idea by moving from a ternary reward to a Trajectory-Informed advantage reweighting, dynamically re-weights the abstention reward during Group Relative Policy Optimization (GRPO) training. The objective of this work focuses on abstention learning instead of improving truthfulness, serving as an exploration into hallucination reduction. The novelty of this paper lies in methodological innovation, advantage re-weighting, and benchmark selection. Leveraging GRPO's multiple trajectories as a natural abstention signal, this method uses a reward signal to explore knowledge boundaries and encourage consistency. By demonstrating that trajectories can be used as a confidence indicator of the policy relative to the query, they are then used to dynamically calculate the abstention advantage. AbstentionBench is used as the evaluation benchmark, as this work aims to contribute to the field of abstention learning. All datasets on the benchmark were tested against this method and various baselines. Empirical results demonstrate that TIAR achieves state-of-the-art abstention F1 scores across five of six evaluation categories, outperforming the static ternary baseline on 17 of 31 benchmark datasets while fully preserving baseline accuracy.

Concept probes extracted from transformer residual streams are only as reliable as the layer from which they are extracted. The common practice of probing at a fixed late layer or at the peak of a separation score function ignores a fundamental structural feature: concept representations undergo substantial directional rotation during their assembly phase, and do not settle into a stable direction until a characteristic handoff layer after the primary Concept Allocation Zone (CAZ). We introduce Geometric Evolution Maps (GEMs), which track the full directional trajectory of a concept through residual stream activations, identify the handoff layer where rotation ceases, and extract the settled probe direction from that layer. Across 23 architectures spanning 70M to 14B parameters and 17 concept types, the entry-to-exit cosine similarity within CAZs has a mean of 0.233, showing that probe direction at CAZ entry does not reliably predict probe direction at exit. Ablation experiments across 391 concept x model pairs (23 models x 17 concepts) show that GEM-extracted probes are at least as precise as peak-layer probes in 268/391 trials (68.5%), and strictly outperform in 259/391 (66.2%). The architecture split is pronounced: MHA models favour the handoff in 173/221 trials (78.3%); GQA models favour the handoff in only 56/119 trials (47.1%). Model-level Wilcoxon: W=214, N=23, p=0.010 (one-sided). An adaptive ablation width rule targets the 79/391 near-final-layer cases: it improves probe quality in 60/79 triggered cases (75.9%), mean gain +7.44pp. A direction-specificity control confirms the ablation effect is concept-direction specific: median 377x suppression rate versus random-direction ablation (99.1% of concept directions beat all 10 random seeds). Reference implementation: rosetta_tools v1.3.1 (doi:10.5281/zenodo.20361433).

This paper examines the specialization of Small Language Models (SLMs) with up to 4 billion parameters for generating artifacts in domain-specific languages (DSL). Kubernetes manifests are chosen as the target domain. We propose the context-instrumental data distillation method: the source corpus is formed through synthetic generation and, in an extended scheme, through reverse instruction generation from real Kubernetes YAML files, with pairs included in training only upon passing external validators and matching the domain context model. Unlike classical KL-divergence knowledge distillation, the baseline implementation reduces to supervised fine-tuning on instrumentally verified examples. The experimental section presents a pilot implementation under resource-constrained conditions: the DeepSeek-V4 Flash API serves as the teacher for synthetic generation, while Qwen2.5-Coder-1.5B-Instruct is fine-tuned via LoRA on CPU. On the K8s-Distill-Pilot corpus (train_1200, validation_100, test_200), we achieved full-pass@1 = 91.5% (183/200) with a stricter prompt formulation and max_new_tokens=768. The key empirical finding is that for Kubernetes YAML, result quality in the pilot depended more on strict output format requirements than on simply increasing the number of training examples.

Large language models (LLMs) define a distribution over text, which can be viewed as a probabilistic representation of uncertainty: sampling K responses yields a belief state - responses a model deems plausible. Existing work exploits this representation for narrow tasks like either decoding or selective prediction, and often requires manual interventions, not controlling generation directly. We propose Belief-Augmented Generation (BAG): grounding LLMs in their own belief state via the prompt and letting them reason over these K samples to decide on a conversational strategy: answer, clarify, or abstain. In a multi-turn ambiguous QA setting, we find that LLMs by default rarely clarify or abstain, ignoring uncertainty about the input or facts. BAG improves QA accuracy across six models and yields strategy decisions more faithful to the belief state than prompt-only baselines. Disentangling when to clarify from when to abstain, however, remains challenging.

We develop a branched signature kernel solver for linear and nonlinear ordinary differential equations driven by a \emph{single observed trajectory} of a possibly rough forcing signal -- a setting that arises naturally in earthquake engineering, finance, biology, and structural health monitoring, where the forcing is observed exactly once and the solver must respect the underlying physical law without recourse to an ensemble of realizations. Two ingredients are new. First, a \emph{count-sampling} construction turns the single observation into a hierarchical family of $N+1$ nested training paths on which the branched signature kernel can be evaluated; this allows the signature kernel machinery, originally designed for multi-realization regression problems, to operate on a single-trajectory observation. Second, a kernel-collocation framework places the ansatz either on the highest-order derivative of the solution (with lower derivatives recovered by integrating the kernel) or on the solution itself (after $m$-fold integration of the ODE). We prove a universal approximation theorem for the branched signature kernel, leveraging the Hairer--Kelly morphism to express branched signature evaluations through geometric signatures of time-extended paths. The offline solver is extended to a streaming Test/Train/Retrain protocol with closed-form online updates in the linear case and scalar Newton steps in the nonlinear case. Numerical experiments on six benchmarks (El-Centro earthquake displacement, the Solow capital-stock model, an fBM-driven second-order ODE, a forced Duffing oscillator, a path-dependent Arias-intensity-degraded oscillator with variable coefficients, and a noisy Kuramoto phase-oscillator system) show that the branched signature-kernel solver delivers accurate, stable predictions across all regimes.

Membership inference attacks (MIAs) are popular methods for empirically assessing the leakage of sensitive information in the training data through models or statistics learned from the data. The MIA vulnerability is often evaluated through false positive rate (FPR) and true positive rate (TPR) of a binary classifier that tries to predict whether a particular sample was in the training data. However, in order to reliably estimate the TPR especially for low FPR values, a lot of observations are needed, which in case of MIA translates to many target models, leading to large computational cost. To avoid excessive compute requirements, the MIA scores are often averaged over multiple individuals and multiple targeted models. We demonstrate two key weaknesses in this efficient MIA evaluation pipeline. First, we show that evaluating the TPR based on MIA scores concatenated across multiple individuals, commonly used to study vulnerabilities in the very low FPR regime, is not calibrated across the per-sample FPRs. This makes it unreliable as a tool for auditing differential privacy. To solve this, we propose a post-processing method to effectively calibrate the FPR across different samples. Second, we identify a finite population bias in the commonly used efficient likelihood-ratio attack (LiRA) implementation proposed by Carlini et al. 2022, leading to a positive bias in the per-sample vulnerability.

We study counterfactual distribution learning for high-dimensional outcomes whose counterfactual law may concentrate near lower-dimensional structure. Standard isotropic smoothing treats all ambient directions equally, leading to unfavorable scaling and unstable local inference. We propose two diffusion-guided estimators based on semiparametric debiasing: diffusion-informed smoothing for counterfactual densities and diffusion-informed score smoothing for counterfactual scores. The estimators combine causal nuisance adjustment with geometry-adaptive localization driven by diffusion score information, removing first-order nuisance bias while aligning smoothing with local outcome geometry. We establish asymptotic expansions, risk bounds, and inference procedures for smoothed density and score-based targets, with ambient density inference obtained under additional approximation conditions. Under structural geometry conditions, the leading stochastic error is governed by an effective dimension induced by the diffusion-guided kernel, rather than by the ambient dimension. Semi-synthetic experiments based on CelebA show steeper error decay for geometry-adaptive methods, supporting the proposed effective-dimension theory.

We study a stochastic multi-armed bandit problem where an agent is granted a free exploration budget before regret accumulates, a setting not captured by the classic regret minimization or pure exploration paradigms. The goal is to design an adaptive policy that strategically explores the bandit instance in the initial free exploration phase and minimizes the cumulative regret in the subsequent phase. We formalize this regret minimization with free exploration problem and identify an interesting regime where the free exploration budget scales logarithmically with the time horizon. To quantify the amount of regret saved with high probability as a result of the availability of the free exploration phase, we introduce a novel set of policies known as $(α,β)$-probably saving policies. We propose a two-phase, probably saving algorithm, UFE-KLUCB-H, which consists of a principled free exploration policy, UFE, and a history-aware regret minimization policy KLUCB-H. Instance-dependent upper bounds on UFE-KLUCB-H are derived, showing that UFE-KLUCB-H accumulates strictly less regret than policies that do not have access to a free exploration phase. Complementarily, we derive instance-dependent lower bounds based on novel multi-instance perturbation arguments tailored to the free-exploration setting, demonstrating the near-optimality of UFE-KLUCB-H for two-valued bandits. Our upper and lower bounds reveal sharp phase transitions in the accumulated regret depending on the amount of available free exploration. Simulations are conducted to demonstrate that forced exploration and adaptivity in the algorithm lead to greater regret savings.

Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural operators offer a fast alternative, they typically rely on large-scale labeled datasets or struggle with unstable training dynamics when using physics-informed residual losses. We propose \textsc{NPSolver}, a neural Poisson solver trained without solution labels via iterative physics supervision. Instead of relying on fully converged numerical solutions or raw PDE residuals, \textsc{NPSolver} utilizes a small number of preconditioned conjugate gradient (PCG) steps to refine its own predictions, providing a more stable and well-scaled training signal. Theoretical analysis confirms that this iterative supervision serves as a well-conditioned error proxy and that a stop-gradient design is essential for optimization stability. To better capture boundary-driven features under mixed boundary conditions, we further introduce the Boundary-Aware Transolver (\textsc{BA-Transolver}) architecture that explicitly separates interior and boundary tokenization. Extensive evaluations on 2D and 3D irregular geometries demonstrate that \textsc{NPSolver} outperforms both physics-informed and data-driven baselines. Furthermore, a downstream thermal control task highlights the model's capability for conducting efficient and reliable gradient-based boundary control. We will release our codes and data at https://github.com/intell-sci-comput/NPSolver.

Multi-domain graph pre-training is a crucial step in constructing foundational graph models with cross-domain generalization capabilities. However, existing methods predominantly rely on jointly training all source domain graphs, resulting in high computational costs. Furthermore, it remains unclear whether all source domain graph data contribute equally to effective transfer. This paper empirically reveals significant data redundancy in multi-domain graph pre-training. Based on this finding, we propose the Multi-domain Graph Pre-training Framework, MDGMIX, which combines boundary-aware subgraph mixing with hierarchical discrimination. By selecting boundary nodes to construct challenging mixed-domain subgraphs, MDGMIX employs coarse-grained domain discrimination and fine-grained domain decomposition losses to decouple shared patterns from domain-specific patterns. During adaptation, MDGMIX employs a lightweight prompt weighting mechanism to transfer source domain knowledge. Extensive experiments demonstrate that MDGMIX consistently outperforms strong baselines in few-shot classification tasks while exhibiting superior time and memory efficiency. The code is available at: https://github.com/zhengziyu77/MDGMIX.

Concept unlearning aims to erase a target concept from a pretrained text-to-image diffusion model without retraining. Closed-form methods are attractive in this setting because they apply a single deterministic edit to the cross-attention weights and add no inference-time cost. Existing closed-form methods, however, represent the target concept through the text encoder's response to a few short anchor prompts that name it, and paraphrased prompts that evoke the concept without naming it consistently bypass the edit. We argue that the target should instead be represented in the cross-attention activation space. Text embeddings describe the user's prompt, while cross-attention activations describe what the model is about to render, and the latter generalize to paraphrase the anchor templates do not cover. Building on this observation, we propose PURE (Projection in U-Net Rendering for Erasure), a closed-form method that builds the forget and retain bases from per-layer cross-attention activations captured along a short denoising trajectory and applies a single linear projector to the cross-attention key and value weights. On a recent holistic concept-unlearning benchmark covering ten concepts across artistic style, intellectual property, celebrity, and NSFW categories, PURE significantly reduces target leakage under paraphrased and adversarial prompts while preserving retain concepts close to the unedited model, yielding the best overall forget-retain trade-off among evaluated methods.

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a novel structure-aware weight sharing principle that explicitly incorporates information inherent to the graph structure. Weights are indexed directly by user-chosen graph invariants, i.e., functions preserved under node permutations, enabling systematic reuse across structurally equivalent subgraphs. We present ShareGNNs, which instantiate this principle within a simple encoder-decoder architecture, resulting in an MPNN with learnable adjacency and transformer-like connectivity. We show that their expressivity is at least as strong as the discriminative power of the chosen invariants, providing explicit control over the model complexity. Experiments on synthetic and real-world data, as well as subgraph counting tasks, demonstrate consistent improvements over standard MPNNs, competitive expressivity beyond the 1-WL test, and scalability to large datasets.

In multi-stage recommender systems, reranking optimizes overall utility by capturing intra-list contextual dependencies, yet its central challenge lies in exploring optimal sequences within an exponentially large permutation space. Recent studies have shifted towards end-to-end generative frameworks, which typically leverage list-wise rewards or preference alignment to guide generator training. However, these methods still face two critical issues. First is the heuristic label bias. Existing methods often construct training targets based on simple rules, such as promoting clicked items to the top, while ignoring causal dependencies within the list context. Second is the credit assignment problem. Sparse list-level posterior rewards fail to directly guide intermediate steps in sequence generation, leading to ambiguous optimization directions. To address these issues, we propose DeGRe (Dense-supervised Generative Reranking), a generative reranking framework that bridges the gap between offline exploration and online efficiency through dense supervision. The core of DeGRe lies in its offline-online decoupled design. During the offline phase, we introduce a Lookahead Evaluator based on cumulative regression, which leverages beam search to actively mine high-value lookahead sequences in the unexposed space. During training, we transform the step-wise value estimations from the evaluator into dense supervision signals and distill them into a lightweight Online Generator. This mechanism enables the generator to internalize lookahead planning capabilities, requiring only a single efficient greedy decoding pass during online inference to approximate the global optimum. Experiments demonstrate that DeGRe outperforms baseline models on public benchmarks and industrial datasets. We have successfully deployed DeGRe on Taobao Flash Shopping, significantly improving online recommendations.

Offline goal-conditioned reinforcement learning (GCRL) provides a practical framework for obtaining goal-reaching policies from fixed datasets. However, learning a reliable goal-conditioned value function in long-horizon tasks remains challenging. In this paper, we identify erroneous generalization in goal-conditioned value functions as a fundamental bottleneck, and demonstrate that appropriate inductive bias in the value function is crucial for addressing the bottleneck. Building on these findings, we propose Latent-Aligned Value Learning (LAVL), an offline GCRL algorithm that integrates latent-representation-based value generalization with hierarchical planning in a unified framework. Extensive experiments on OGBench demonstrate that LAVL consistently outperforms existing offline GCRL methods, achieving the highest performance on 20 out of 22 datasets. Notably, LAVL exhibits strong performance in long-horizon tasks and trajectory stitching datasets, where prior methods suffer significant performance degradation. Our code is available at https://github.com/oh-lab/LAVL.git.

We prove that no reinforcement learning policy with confidence-gated autonomy can simultaneously achieve maximum helpfulness, optimal calibration, and full autonomy under rational oversight, whenever some tasks exceed the agent's reliable competence: the Behavioral Credibility Trilemma. The impossibility is geometric -- adding any non-affine autonomy incentive to a strictly proper scoring rule destroys strict properness, so an agent rewarded for both calibrated confidence and autonomous action systematically inflates its reported confidence on tasks below the principal's approval threshold. The Behavioral Perturbation Lemma quantifies the inflation (scaling as $w_A/(2 w_C)$ for the Brier score) and shows detection requires $Ω(1/Δ^2)$ observations. We prove the principal's optimal oversight rule is necessarily non-affine, making the impossibility unconditional and optimizer-independent across log-concave-density policy families. We formalize the Confidence-Gated Decision Problem, map existing methods onto the trilemma, and identify two constructive resolution pathways (commitment, domain separation). A 540-configuration Best-of-N experiment tests five pre-registered hypotheses, all strongly confirmed (effect sizes $d = 1.10$ to $5.32$), and adds a descriptive analysis of the achievable-$(H, C, A)$ surface geometry showing a plateau-truncated frontier consistent with the predicted inflation saturation.

Most of the world's offshore wind resource lies in waters too deep for fixed-bottom foundations, making floating offshore wind turbines (FOWTs) essential for deep-water deployment. As the industry scales toward $22$ MW class designs, tower fatigue becomes increasingly critical because larger structures amplify the coupled aero-hydro-servo-elastic loads induced by continuous wind and wave excitation. Accurate fatigue-damage prediction is therefore central to certification, design optimization, and cost reduction. Yet the field lacks a shared surrogate benchmark: studies report different simulations, splits, and metrics, making methods difficult to compare. We present FLOATBench, a public tabular benchmark with $582{,}120$ per-section fatigue-damage labels across three $22$ MW FOWT tower geometries, derived from $19{,}404$ high-fidelity OpenFAST simulations across the three towers ($6{,}468$ per tower: $1{,}078$ aligned wind/wave operating points $\times$ six turbulence seeds), labeled at $30$ cross-sections per tower. FLOATBench includes a regime-aware alpha-shape partition of the joint wind/wave operating envelope, stratifying test points into in-train, interpolation, and extrapolation regimes. It is paired with a reproducible evaluation harness covering three protocol levels: random validation (E1), within-tower regime-aware evaluation (E2), and cross-tower transfer (E3). The regime-aware protocol reveals rank shifts between global and extrapolation performance that random-split leaderboards cannot detect. To the authors' knowledge, FLOATBench is the first FOWT fatigue benchmark for tabular surrogate modeling, and offers an evaluation protocol that generalizes to engineering surrogates defined over physical operating envelopes. Dataset and code available at: https://github.com/Joao97ribeiro/FLOATBench.

Realistic physical systems are characterised by emergent interactions across multiple length and time scales, posing a significant challenge for predictive machine learning (ML) models. Most scientific ML models focus on a narrow range of interactions. While machine learning force fields (MLFFs) offer near-quantum accuracy, the ubiquitous message-passing layers miss long-range many-body effects. Here we introduce the Multiscale Structural Ensemble (MuSE), a hierarchical model that uses Soft Coarse-Graining Pooling to construct coarse representations from smooth fractional assignments of atoms to coarse nodes, enabling MLFF modules to operate across multiple scales. MuSE is architecture-agnostic and coupled with SO3krates, MACE, and PaiNN MLFFs for both molecules and materials. We demonstrate the power of MuSE through Hessian-based benchmarks, folding trajectories for biomolecules, and energy profiles in molecule-graphene nanostructures, where MuSE accurately captures quantum-mechanical interactions at relevant scales -- unlike other recent long-range ML models.

In contemporary large language models (LLMs), the swish-gated linear unit (SwiGLU) activation function is widely adopted to regulate the information flow and introduce non-linearity. For large positive inputs, SwiGLU approximates the quadratic function $x^2$, providing strong nonlinearity and expressive capacity. However, this property also causes numerical instability as the input or model scale increases, particularly in low-precision LLM training. The main reason is its approximate quadratic amplification, which enlarges the output range and exacerbates outliers. To address this issue, we propose a stable activation function, Power Linear Unit (PowLU), for large-scale LLM pre-training. Specifically, PowLU employs a rational power function to achieve adaptive nonlinearity, thereby improving representation ability and enabling stable training in spike regions. Moreover, we provide theoretical justification for several key properties of PowLU. Scaling law experiments confirm that the performance is consistent across model sizes, and further experimental results with the Ling architecture (7.9B and 124B total parameters) demonstrate that PowLU achieves competitive results against SwiGLU and SwiGLU-Clip in large-scale training of LLMs. In addition, the experimental results also show that PowLU effectively improves the scalability of the large-scale training of LLMs.

High-quality data is scarce in large language model (LLM) training, yet how to schedule its use jointly with training dynamics lacks theoretical guidance. We extend functional scaling laws by incorporating a data-quality dimension, and solve the joint data-quality and batch-size scheduling problem in asymptotic closed form. The solution reveals two regimes and a dual role of high-quality data. In the noise-limited regime, high-quality data should be used as a signal amplifier: lowering the batch size converts cleaner data into more signal without amplifying noise. In the signal-limited regime, it should be used as a noise suppressor: late placement reduces terminal noise without sacrificing signal accumulation. Existing curriculum-style pipelines primarily exploit the second role by placing cleaner data late, but miss the first role because conventional decay schedules reduce update intensity exactly when high-quality data becomes available. Guided by this, we propose Drop-Stable-Rampup for LLM midtraining: upon the quality transition, drop the batch size, hold it stable to accumulate signal, then ramp up to suppress terminal noise. On a 15B Mixture-of-Experts model midtrained on 108B tokens, Drop-Stable-Rampup improves average accuracy over Warmup-Stable-Decay (WSD) by +1.70 and over Cosine-decay by +2.98, with particularly large gains on mathematical reasoning benchmarks such as GSM8K (+4.23) and MATH (+2.80).

The process of decision-making in football is characterized by a complex interplay between spatial positioning, opponent pressure, and player intent. This work introduces a Graph Neural Network (GNN) framework designed to predict Receiver Selection, the optimal passing target, by modeling on-field interactions as dynamic graphs. Each player is represented as a node with positional and contextual features, while potential passing lines form weighted edges characterized by distance, angle, and pressure metrics. A Message-Passing Neural Network (MPNN) has been developed and trained using a combination of tracking data and event data from professional matches, synchronized through a robust pipeline based on an optimized version of the Needleman-Wunsch Algorithm. The model achieves competitive accuracy in identifying the actual chosen receiver and state-of-the-art accuracy within its top three suggestions. Our model further offers quantification of each option's likelihood, threat, and creativity, enabling performance analysts to evaluate over 1,000 passes in seconds.

Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability. Existing dual-target generative methods typically introduce dual-target capability by either retraining the generator or intervening in the diffusion process during sampling. The former can be costly and difficult to stabilize when dual-target supervision is sparse, while the latter may be sensitive to denoising-time target balancing and competing update directions. These limitations motivate a generator-preserving alternative that keeps the pretrained prior intact: can dual-target candidates instead be recovered from the input space of a frozen single-target diffusion model, without modifying its parameters or denoising dynamics? We formulate this task as a constrained multi-objective optimization problem and propose REUSE, a hierarchical evolutionary input-space search framework that combines pair-conditioned exploration with structured multi-stage selection to enforce dual-target affinity, chemical quality, and diversity. Experiments show that, compared with methods that modify the diffusion process, REUSE consistently improves dual-target affinity and balance, achieving a 20.9-percentage-point gain in Dual High Affinity over the strongest prior baseline while maintaining competitive molecular quality.

The loss and the norm of its gradient separate the healthy and the pathological regimes of neural-network training only weakly, whilst the curvature of the empirical risk differs qualitatively between them but is inaccessible explicitly at parameter counts $P\sim 10^{6}-10^{8}$. We present a stochastic estimator of the trace of the diagonal blocks of the Hessian matrix of the empirical risk of a neural network. The procedure combines the Hutchinson stochastic trace estimator with a single Hessian-vector product over the whole parameter vector and recovers unbiased estimates of every per-layer trace in one backward pass through the computational graph. We show that correctness under weight sharing requires the layer-wise Hessian to be assembled before the second differentiation: unrolling shared weights into independent coordinates introduces a systematic bias whose sign and magnitude are governed by the cross-instance blocks of the unrolled Hessian. A closed-form expression for the variance of the estimator at a fixed Hessian is derived, together with a decomposition of the total variance under the mini-batch sampling distribution. This decomposition yields a critical probe count $K^{\star}$ that balances the two sources of randomness and supports the practical recommendation $K\in[5,10]$ in the on-line monitoring regime. The estimator is applied to the detection of the label-memorisation regime of ResNet-18, ResNet-34, and VGG-11 on CIFAR-10 and CIFAR-100, where a calibrated cumulative-sum decision rule attains an empirical detection power of $179/180$ at a false-alarm rate of $16/120$.

Black-box adversarial attacks that minimize only the ground-truth confidence suffer from class drift: perturbations wander through the feature space without committing to a specific adversarial class, wasting queries on diffuse, undirected progress. We introduce Opportunistic Target Selection (OTS), a lightweight wrapper that switches an untargeted attack to a targeted objective early in its trajectory, locking onto whichever non-true class currently leads. OTS requires no architectural modification to the underlying attack, no gradient access, and no a priori target-class knowledge. We validate OTS on three score-based attacks (SimBA, Square Attack with cross-entropy loss, and Bandits) across five standard ImageNet classifiers (4,500 runs). On random-search attacks, OTS closely tracks oracle performance, with gains up to +27 pp in success rate and 43% relative reduction in censored-mean iterations on ResNet-50. On gradient-estimation attacks (Bandits) and attacks with margin loss, OTS is redundant, a negative result that reinforces our interpretation of OTS as a margin-loss surrogate. On adversarially-trained models, a bimodal difficulty distribution eliminates the regime where targeting helps.

Graph neural networks for node classification are typically trained by gradient descent over hundreds or thousands of epochs. Recent work has shown that, when properly tuned, classic GCN/SAGE/GAT architectures can match graph transformers on many node-classification benchmarks. We ask a complementary question: how much of this performance can be recovered by deterministic closed-form solvers, and what guarantees does this enable? We introduce a routed closed-form framework selected by adjusted homophily. For assortative graphs, we use SGC-style propagation followed by Ridge regression; for heterophilous graphs, we introduce LCF-Net, a layer-wise closed-form graph feature-refinement network whose per-layer Ridge solves are capped by a Gaussian kernel-Ridge head. Across 14 benchmarks, including ogbn-arxiv and ogbn-proteins, our closed-form predictors match or beat the best vanilla 2-layer GCN/SAGE/GAT on 9 of 9 measured datasets, tie tuned deep recipes within one standard deviation on 9 of 12 small benchmarks, and exceed the OGB-leaderboard plain GCN on both large graphs. The remaining heterophilous gap closely tracks the gain from vanilla 2-layer to deep SAGE, suggesting that the residual difference is primarily architectural. Because our predictors are explicit solutions of deterministic linear systems, modified graph inputs can be re-solved to obtain retrain-equivalent parameters. We formalize exact graph-object unlearning for label, feature, edge, node, and subgraph modifications, prove K-hop locality for Ridge components, and verify exactness across 109 configurations. On ogbn-arxiv, localized updates give $21$--$45\times$ speedups over full re-solving and roughly $10^{6}\times$ speedups over gradient retraining. Structural-inversion experiments further quantify the privacy floor of exact retraining and the additional leakage of approximate graph-unlearning methods.

This paper proposes StrTransformer, a source-wise structured Transformer framework for blind source recovery and branch-wise latent modeling. Instead of using an encoder to infer latent variables, StrTransformer directly optimizes the latent source matrix together with an observation-space mixer and source-wise structural Transformer branches. The mixer enforces reconstruction consistency, while each Transformer branch imposes a differentiable structural constraint on one latent source trajectory. Specifically, each source is converted into multi-scale patch tokens, randomly masked, processed by a locality-biased Transformer, and evaluated through a masked patch reconstruction energy. This energy acts as an implicit source-wise structural prior. To encourage different latent branches to specialize into different temporal regimes, StrTransformer further introduces an ordered multi-scale controller that learns branch-specific patch-scale weights, ordered scale centers, and locality attention slopes. The resulting objective combines observation reconstruction, source-wise structural regularization, and modular auxiliary penalties for separation and scale specialization. We analyze the decoupling and coupling structure of the objective, the regularized exact-reconstruction fiber, and the reduction of permutation symmetry induced by ordered branch descriptors. A controlled case study shows that the learned branches converge to distinct temporal-scale structures and recover source-aligned latent trajectories under post-hoc evaluation.

Accurate reconstruction of magnetic fields in inaccessible regions is vital for many high-precision experiments in physics. Traditional methods, such as spherical harmonic expansion, often suffer from truncation errors that limit their precision. This study proposes an advanced Physics-Informed Neural Network (PINN) framework for high-precision 3D magnetic field mapping. Unlike conventional data-driven models, the proposed PINN integrates Maxwell's equations directly into the loss function, enforcing divergence-free and curl-free conditions across the entire domain. A key innovation is the inclusion of explicit physics-residual losses at measurement locations, ensuring rigorous physical consistency beyond random collocation sampling. Validation using simulated data achieves a reconstruction accuracy of $10^{-4}$, a tenfold improvement over existing PINN benchmarks. Furthermore, experimental validation using a custom coil assembly demonstrates robust reconstruction with sub-percent relative accuracy, reaching the $10^{-3}$ level under ambient conditions. This AI-driven methodology provides a robust, high-precision solution for field monitoring and measurement in complex experimental environments where direct sensor placement is restricted.

Autonomous AI agents increasingly issue side-effect-bearing actions: database mutations, refunds, payments, external commitments. We propose the Actuarial Action Interface (AAI), a deterministic runtime contract that prices each such action against a contractually fixed safe default under a time-consistent risk mapping, and gates execution against a per-boundary reserve capital budget. We then develop the Authority Frontier, an evaluation primitive measuring how much autonomous authority the runtime releases at each level of reserve capital. The framework provides (i) a deterministic quote-bind-commit protocol with toll-bounded capability tokens; (ii) a universal seven-class action taxonomy mapping heterogeneous tool calls to comparable authority units; (iii) replay determinism and pathwise reserve coverage under alpha-spending; (iv) cross-domain normalization via full reserve demand C_full and capital metrics Capital@k. We instantiate AAI across four agentic environments (database mutation, customer-service refund, and the public tau-bench retail and airline tool-use traces) and report a live Postgres panel in which three Azure-hosted models propose actions through the same contract. The frontier exhibits a common low-reserve refusal and intermediate-release pattern across domains, with saturation only where the budget grid reaches full reserve demand; required reserve capital varies by 22x (Capital@50 from 289 to 6457). The framework does not force domains into the same shape; it surfaces each domain's actuarial geometry. In the live panel the contract prevents realized loss across all three models at low budget while differing in underwriting persistence under denial: model identity is an actuarial underwriting variable. The contribution is a benchmark-ready evaluation framework for runtime actuarial control of autonomous-agent side effects.

In the paper we show that there is an analogy between the operations occurring in a layer of a transformer (projections and layer normalizations, disregarding the feedforward neural network) and a step in the power method. Coherently with this analogy, we show that passing through a layer the tokens tend to be tilted towards the principal eigenvector of a matrix which is the product of the output and value weight matrices of that layer. In the special case of a transformer with shared weights (i.e., in which all layers have identical weights) then the alignment with this principal eigenvector is particularly evident empirically, and can also be shown analytically. The analogy also suggests a method to steer the output of the transformer towards an arbitrary desired direction in token space.

Single-pass uncertainty quantification (UQ) methods for classification represent uncertainty by predicting a tractable distribution over the class probability vector. While existing approaches primarily focus on enhancing the expressiveness of this distribution, they often provide limited insight into how predictive uncertainty is structured and aggregated, resulting in weak interpretability. We introduce the courtroom analogy, which conceptualizes uncertainty-aware classification as a structured debate among class-specific advocates. Each advocate forms a probabilistic opinion, and a final verdict is reached by aggregating these opinions using input-dependent plausibility weights. In this framework, each advocate's opinion is modeled as a Dirichlet distribution whose concentration parameter is decomposed into shared evidence and class-specific advocacy. This yields a structured mixture of Dirichlet distributions with semantically interpretable parameters. To instantiate this formulation, we propose Mixture of Dirichlet EXperts (MoDEX), a single-pass neural architecture that predicts the courtroom parameters, enabling efficient and expressive UQ while explicitly modeling uncertainty aggregation. We demonstrate that MoDEX enjoys strong theoretical properties and achieves state-of-the-art UQ performance across diverse benchmarks, yielding interpretable uncertainty estimates with meaningful semantics.

The observation that activation sparsity emerges in MLP blocks of standardly trained Transformers offers an opportunity to drastically reduce computation costs without sacrificing performance. To theoretically explain this phenomenon, existing works have shown that activation sparsity does not result from the data properties or data fitting but from the implicit bias of the training process. However, these connections are obtained with strong assumptions, which cannot be applied to deep models standardly trained with a large number of steps. Different from these works, we find that the flatness of loss landscapes is also closely related to the MLP activation sparsity and can serve as a weaker and naturally emerging assumption standard deep networks. Specifically, we find that 1) the MLP activation sparsity equals a ratio between "augmented flatness" (a weighted sum of flatness measures) and the product of the input norm and activation gradient of the MLP. We empirically find that this ratio decreases during training, leading to sparse activations. 2) We also propose the notion of derivative sparsity, which reduces to activation sparsity under ReLU, but further enables pruning in the backward propagation and is more stable than activation sparsity. With the theoretical findings, we can further encourage activation sparsity by decreasing the numerator and increasing the denominator of the ratio using three methods. These plug-and-play modifications can effectively reduce the ratio and produce sparser activations. Experiments on ImageNet-1K and C4 demonstrate relative improvements of at least 36% on inference sparsity and at least 50% on training sparsity over vanilla Transformers, indicating further potential cost reduction in both inference and training

The ability of deep neural networks to learn hierarchical features is widely regarded as a key mechanism underlying their success in high-dimensional learning. Existing theory partially supports this view by establishing approximation rates based on parameter counts and sample complexity guarantees for compositional models without incurring the curse of dimensionality (CoD). To study overparameterized regimes, where the number of parameters exceeds the sample size, we develop a framework that measures complexity via the parameter norm. Within this approach, we establish approximation rates and excess risk bounds for learning sparse compositional functions whose compositional structure is represented by directed acyclic graphs (DAGs), using Frobenius norm-constrained deep neural networks. Our results have broad applicability since every function that is efficiently Turing computable admits sparse compositional representations. In particular, we cover a range of representative models, including multi-index models, binary tree structures, and general compositional architectures. The rates we derive show that deep networks can exploit the compositional structure of the target functions, effectively avoiding the CoD through hierarchical representations.

In the past decade, numerous studies have applied deep neural networks (DNNs) to decode auditory attention (AAD) from Electroencephalogram (EEG) signals via stimulus reconstruction. However, the influence of dataset balance on the decoding performance of stimulus reconstruction-based AAD remains unexplored. In this study, three publicly available EEG-AAD datasets - KUL, DTU, and NJU cEEGrid - are used to construct both balanced and unbalanced experimental conditions. We hypothesize and demonstrate that stimulus reconstruction-based DNN decoders tend to produce overestimated decoding performance on unbalanced datasets. To address this issue, we propose a leave-one-paired-envelope-out (LOPEO) cross-validation protocol. Experimental results confirm that LOPEO effectively prevents inflated decoding accuracy on unbalanced datasets. While balanced datasets are generally preferred in experimental design, LOPEO provides a principled evaluation framework for unbalanced datasets that have already been published, filling an important gap in the field.

Reinforcement Learning has become a standard paradigm for aligning Large Language Models with human intent and task requirements. While Group Relative Policy Optimization offers an efficient, value-model-free alternative to Proximal Policy Optimization, adapting it to real-world multi-reward settings remains challenging. Standard scalarization practices, such as Reward Combination and Advantage Combination, suffer from significant drawbacks: Reward Combination frequently generates advantages with excessively large squared magnitudes that lead to training instability, while Advantage Combination relies on static hyperparameters and ignores cross-objective correlations. To address these limitations, we propose Dynamic Variance-adaptive Advantage Optimization (DVAO), which dynamically adjusts combination weights based on the empirical reward variance of each objective within a rollout group, effectively up-weighting objectives with a stronger learning signal while suppressing noisy ones. We mathematically prove that DVAO maintains bounded advantage magnitudes for stable training and introduces a self-adaptive cross-objective regularization mechanism. Extensive experiments on mathematical reasoning and tool-use benchmarks using Qwen3 and Qwen2.5 models demonstrate that DVAO significantly outperforms baseline methods, achieving a superior multi-objective Pareto frontier and robust training stability.

Evidential Deep Learning (EDL) has emerged as an efficient, sampling-free strategy for uncertainty estimation. A series of EDL variants have been proposed to address specific limitations of the original framework, achieving notable success. However, the underlying theoretical structure of EDL and the relationships among these variants have received limited systematic investigation. In this work, we establish a principled theoretical foundation for EDL by interpreting it within a generalized Bayesian framework that includes prior specification, posterior update, and training objective. We further characterize evidential uncertainty from a Bayesian distributional uncertainty viewpoint, established via asymptotic analysis. Building on this perspective, we further propose Generalized Evidential Deep Learning (GEDL), a unified and extensible framework that explicitly disentangles the roles of individual components and systematically relates GEDL to existing variants. Extensive experiments demonstrate that GEDL yields comparable results on classification, uncertainty estimation and OOD detections, with theoretical grounding.

We study optimal experimental design for multinomial logit (MNL) bandits, where an agent repeatedly selects a subset of $K$ items from a ground set of size $N$ and observes single-choice feedback. Unlike linear or generalized linear bandits, MNL bandits have a combinatorial action space, which makes classical optimal design approaches and naive optimization over all subsets computationally intractable. We propose a computationally efficient optimal design framework for MNL models that achieves both statistical efficiency and scalability through two complementary approaches: (i) an exact or certified-approximate reformulation of the design oracle as a $0$-$1$ mixed-integer linear program (MILP) with solver-certified early stopping, and (ii) a fully polynomial-time lifted design that replaces the nonlinear objective with a tractable surrogate. Using the Kiefer-Wolfowitz equivalence theorem, we establish near G-optimality guarantees and characterize the induced statistical-computational trade-offs. As an application, we develop a best assortment identification algorithm for MNL bandits with linear utilities and non-uniform revenues, and prove an instance-dependent sample complexity of $\tilde{O}\big(\frac{d \log N}{Δ^2}\big)$, where $d$ is the feature dimension, $N$ is the number of arms, and $Δ$ is the minimum revenue gap.

We study nonstationary generalized linear bandits (GLBs), where the expected reward is modeled through a nonlinear link function with an unknown time-varying parameter. This framework encompasses a broad class of reward models, including linear, Bernoulli, and binomial rewards. Existing approaches are predominantly based on maximum-likelihood estimation (MLE), using sliding-window, restart, or discounting mechanisms to handle nonstationarity. Although these methods achieve statistically efficient regret guarantees, they generally require revisiting past observations at every round, which leads to computation and memory costs that grow with time; moreover, several of them rely on a non-convex projection step. In this paper, we propose DOMD-GLB, a new algorithm for nonstationary GLBs that utilizes discounted online mirror descent (DOMD) for parameter estimation, thereby incurring only $O(1)$ computation and memory costs per round. We prove dynamic regret bounds of order $\tilde{O} \big(c_μ^{-1/2} d^{3/4} P_T^{1/4} T^{3/4}\big)$ in drifting environments and $\tilde{O}\big(c_μ^{-1/3} d^{2/3} Γ_T^{1/3} T^{2/3}\big) $in piecewise-stationary environments, where $d$ denotes the feature dimension, $T$ the time horizon, $P_T$ the path length, $Γ_T$ the number of change points, and $c_μ$ a curvature parameter associated with the link function, while substantially improving computational efficiency over prior work. To the best of our knowledge, this is the first algorithm for nonstationary GLBs with per-round computation and memory costs independent of time.

Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular programs over time. Existing machine learning methods have made important progress, but typically capture only one side of the response. Latent causal approaches seek mechanisms that support generalization and interpretation, yet often treat perturbation effects as static outcomes. Temporal models describe how gene expression changes across time, but usually do not explicitly recover the latent causal generative mechanisms driving these changes. In practice, perturbation effects are both latent and dynamical: interventions act through unobserved cellular programs, whose states evolve over time and give rise to observed expression profiles. Motivated by this view, we propose a latent dynamical causal generative model for single-cell perturbation data that jointly captures latent cellular programs, perturbation-conditioned mechanisms, and temporal evolution. We further provide an identifiability analysis showing that, under suitable conditions, the latent causal variables are recoverable up to standard equivalence classes. Guided by this analysis, we develop CITE-VAE, a learning framework for recovering latent cellular programs and their perturbation-driven dynamics from single-cell sequencing data. Experiments on Causal-3DIdent validate the theoretical results and the effectiveness of the proposed method in controlled settings. Additional experiments on real-world CRISPR-based single-cell perturbation data show improved generalization to unseen perturbations compared with state-of-the-art baselines, highlighting the practical robustness of our approach.

The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achieved remarkable success. However, there is a critical misalignment between their mathematical formulation and the physical reality of molecules. Existing approaches predominantly treat molecules as unstructured point clouds in Cartesian space, overlooking the intrinsic hierarchical mechanics where bond lengths and bond angles are relatively stiff, whereas torsion angles constitute the dominant flexible degrees of freedom. This lack of manifold awareness forces models to relearn fundamental geometric constraints from scratch, often leading to physically implausible intermediate structures. To address this, we propose GO-Flow that aligns generative modeling with molecular geometry via manifold decomposition. Instead of forcing motion through Euclidean space, GO-Flow decomposes the generation process into three physically motivated subspaces: translation space with linear optimal transport, rotation space with geodesic flows on $SO(3)$, and conformation space with entropic optimal transport. This decomposition injects geometric inductive biases and makes the generative paths better aligned with molecular degrees of freedom. When combined with equivariant neural architectures, it encourages rotation-consistent generation and improves geometric validity. Extensive experiments on GEOM-Drugs and GEOM-QM9 demonstrate that GO-Flow achieves state-of-the-art generation quality. Notably, by learning straighter probability paths on the correct manifolds naturally, our method enables high-fidelity sampling with as few as 50 steps, effectively bridging the gap between structural precision and computational efficiency.

While Large Language Models (LLMs) are commonly fine-tuned to handle domain-specific tasks before being applied to vertical applications, adapting them to complex scenarios with diverse specialized knowledge remains challenging. Meanwhile, Mixture-of-Experts (MoE) architecture has risen as a crucial paradigm for training LLMs, and some recent works have also incorporated MoE into Parameter-Efficient Fine-Tuning (PEFT) to propose the Mixture of Low-rank Experts (MoE-LoRA), to enhance the power of low-rank adapters for learning complicated knowledge. However, conventional gating mechanisms in MoE typically apply only a scalar reweighing to selected experts, thereby limiting their underlying capacity of representation and generalization. Motivated and enabled by the low-rank structures in MoE-LoRA, we propose RotMoLE, a specialized MoE framework for low-rank experts featuring an additional rotation gate. Beyond simple scaling, RotMoLE implements a rotation mechanism for each selected expert, enabling superior expert exploitation and specialization for learning diverse data, especially when expert candidates are limited. Empirical results on complex multi-task and multilingual training scenarios validate our effectiveness.

Many learning problems require uncovering a hidden ordering that reveals structure in unordered data, such as monotonicity in sorting or spatial continuity in jigsaw reconstruction. In these settings, permutations can be learned as latent operators by optimizing objectives defined directly on the reordered output, often without access to ground-truth orderings. Differentiable relaxations such as Gumbel-Sinkhorn make this approach practical by approximating permutation matrices with doubly stochastic matrices. However, learning from structure without supervision induces a non-uniform uncertainty: some assignments become confident early, while others remain ambiguous. Existing methods control this process using a single global temperature, forcing all assignments to sharpen or diffuse simultaneously and leading to instability at scale. We introduce an entropy-adaptive formulation of Gumbel-Sinkhorn that locally modulates temperature based on assignment uncertainty. This allows confident assignments to discretize early while preserving exploration where uncertainty remains. Across sorting and jigsaw reconstruction tasks and in routing-style settings, adaptive entropy control improves training stability and final permutation quality relative to fixed-temperature baselines, particularly as problem size and assignment ambiguity increase.

High-quality expert chain-of-thought (CoT) data is one of the core bottlenecks in large language model (LLM) post-training. Existing data production methods each have structural limitations: crowdsourced annotation lacks deep reasoning paths; expert solo writing is constrained by the "expert blind spot" -- experts structurally skip reasoning steps they consider obvious; RLHF only produces preference signals rather than reasoning chains. This paper proposes the BC Protocol -- a structured dual-expert elicitation method for LLM post-training data production. The method carefully pairs a domain expert (crystallized intelligence) with a knowledge engineer (fluid intelligence), systematically externalizing the expert's implicit judgments as natural language reasoning chains. We introduce the Participant Aptitude Model, which defines six participant characteristic dimensions that affect elicitation quality. "Calibrated Ignorance" is an original concept proposed in this paper. We further propose "Selection-over-Prescription" as a methodological principle: for implicit knowledge elicitation tasks, investing quality-control resources in personnel selection yields a higher return than investing the same resources in process design. In a controlled experiment in the narrative fiction domain, we directly compared CoT produced by BC Protocol dual dialogue (Group A, (n=20)) against CoT written independently by the same domain expert (Group B, (n=20)). Three cross-vendor judge models -- GPT-4o, Claude Opus 4.5, and Gemini 2.5 Pro -- conducted blind evaluation across five dimensions (600 ratings total). Results show that the BC Protocol achieves an overwhelming advantage in "naturalness of reasoning process" (Group A mean 4.80 vs. Group B mean 1.30, (p=2.4\times10^{-8}), Cliff's (δ=1.0)).

Dynamic graph neural networks (DGNNs) that operate on snapshot sequences typically fall into one of two categories. \emph{Temporal-first} approaches build per-node temporal embeddings and only afterwards perform spatial aggregation, whereas \emph{Spatial-first} approaches invert this order, feeding the output of a graph convolution into a downstream temporal module. In either case, the rigid sequencing forces the second stage to consume an already-compressed summary produced by the first, ruling out joint reasoning over topology and evolution; concretely, the message-passing operator never gets to weight a neighbor's contribution by that neighbor's \emph{past} trajectory. This paper introduces \textbf{SiST-GNN} (\textbf{Si}multaneous \textbf{S}patial-\textbf{T}emporal \textbf{GNN}), which fuses the two signals inside a single message-passing operation rather than chaining them. Concretely, at each snapshot we maintain a recurrent hidden state per node that summarises its history, pair it with the node's current feature vector, and treat the pair as two nodes joined by a cross-time edge; running a standard graph convolution on this temporally augmented graph yields the updated representation. Our empirical study spans nine public baselines and fourteen model-dataset combinations, covering both fixed-split and live-update evaluation regimes. Across every public benchmark, SiST-GNN sets a new state of the art in link prediction task over the strongest prior method by $109$--$277\%$ in the fixed-split setting and by $68$--$194\%$ in the live-update setting. We additionally construct three dynamic node-classification tasks by discretising the underlying continuous-time event streams; here SiST-GNN beats the leading discrete-time (DTDG) baseline by $7$--$22\%$ and matches continuous-time (CTDG) methods that consume the raw events directly.

Neural networks encode inputs as high-dimensional vectors, known as representations, that capture how models process data by encoding task-relevant structure and semantics. Representation alignment refers to the degree to which different models, layers, or training conditions produce similar representations for the same inputs, with important implications for model interpretation, selection, and robustness analysis. Existing approaches to measure alignment primarily rely on geometric properties, such as neighborhood and cluster similarity, offering limited insight into the global organization of representations. In this work, we present TopoAlign, a topology-aware framework for visually comparing model representations from a structural perspective. Leveraging mapper graphs from topological data analysis, TopoAlign jointly analyzes graphs constructed from representations of shared inputs across different models or layers. The framework supports a top-down comparative workflow: it first performs global structure alignment via joint force-directed optimization to produce coordinated graph layouts; it then identifies local correspondences through automated detection of structurally matching regions, visualized with Bubble Sets; and finally it enables fine-grained pattern inspection through motif-based queries and membrane-inspired visualizations. We demonstrate TopoAlign through case studies on language and multimodal models, complemented by expert feedback. Our results show that TopoAlign provides meaningful insights into representation structure and alignment from a topological perspective.

Alzheimer's disease (AD) is a progressive neurodegenerative disorder and the leading cause of dementia, affecting memory, reasoning, communication, and daily functioning. Early diagnosis is particularly important, as timely intervention may help slow cognitive decline and improve patient care. Recent studies have demonstrated that spontaneous speech contains valuable linguistic and acoustic biomarkers associated with dementia. However, existing approaches often rely on independently trained modality-specific models, feature concatenation strategies, ensemble methods, or attention-based fusion mechanisms that do not explicitly maximize the dependency between speech and transcript representations. In this work, we propose a multimodal deep learning framework for automatic dementia detection that jointly exploits speech and transcript information in an end-to-end trainable manner. Specifically, speech recordings are divided into 10-second segments and passed through a pre-trained HuBERT model to extract contextualized acoustic representations. To better capture informative temporal speech characteristics, attentive statistics pooling is employed to aggregate frame-level acoustic embeddings. For the textual modality, transcripts are encoded using a pre-trained BERT model, where the [CLS] token representation is used as the linguistic embedding. The acoustic and textual representations are subsequently combined using an attention-based Audio-Text Fusion (AT-Fusion) mechanism. In addition, we introduce a MINE objective to maximize the mutual information between modalities and improve multimodal representation alignment. The fused multimodal representation is finally used for dementia classification. Experiments conducted on the publicly available ADReSS Challenge and PROCESS-2 dataset demonstrate the effectiveness and robustness of the proposed approach for speech-based dementia assessment.

This paper studies reinforcement learning for high-frequency trading on limit order books by pairing an Order-Flow-based state model with policy-gradient methods. Instead of value-based RL techniques like tabular Q-learning, our approach deploys policy-based methods like vanilla PPO and DeepSeekMath-inspired variants like GRPO and GSPO, that use group-normalized updates and downside-aware shaping. On backtests with financial assets AMZN, AAPL, and GOOG under a simplified backtesting setup based on spread-scaled rewards, these new policies improve net average PnL, profitability, and drawdown over the Q-Learning baseline. Our results show that (1) Order-Flow signals are an adequate state for policy RL and (2) group-aware PPO surrogates are preferable over value-based baselines.

We study the geometry of determinantal point processes (DPPs) through the spectral decomposition $L=UΛU^{\top}$. The spectrum $Λ$ governs the cardinality distribution via elementary symmetric polynomials, while the eigenspace orientation $U$ governs the conditional law within each fixed-cardinality stratum. Conditioning on cardinality $k$ yields the $k$-DPP, for which the identifiability structure changes fundamentally: the spectral parameter becomes identifiable only up to a common scale, and the eigenspace rotation parameter is identifiable only through squared minors of the eigenvector matrix. We characterize the identifiability gap precisely, via three explicit invariances (scale, sign similarity, and eigenspace rotation) and a dimension-counting theorem showing the existence of additional continuous non-identifiability whenever $\binom{N}{k}<N(N+1)/2$. In contrast, for the full DPP the non-identifiability comes only from the discrete sign similarity.

Continual learning enables large language models to adapt to evolving tasks without retraining from scratch, yet catastrophic forgetting remains a central obstacle. Among continual learning methods, regularization-based approaches are widely used to constrain model updates and reduce forgetting, operating in weight space, gradient space, or output space. However, these dense representation spaces suffer from feature superposition, where multiple concepts are encoded in overlapping dimensions, making it difficult to selectively protect previously learned knowledge without impeding new-task learning. To address this issue, we propose \method (Sparse Autoencoder Feature Distillation), which anchors model representations in the sparse feature space of a pre-trained Sparse Autoencoder, where dense activations are decomposed into a sparse overcomplete basis that reduces representational entanglement, enabling more targeted regularization with less interference to new-task learning. Experiments on two continual learning benchmarks across three model architectures show that \method consistently outperforms existing regularization-based methods, achieving up to 52.70% average accuracy with only -0.46 backward transfer.

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and solutions (or final states), enabling both forward simulation and inverse recovery with limited paired data. At inference, sampling is guided by a composite loss that enforces agreement with sparse measurements and reduces the PDE residual; we support deterministic, stochastic, and hybrid samplers. We provide error guarantees for these guided procedures. For the deterministic optimizer, a coercivity condition ensures trajectory boundedness and a phase-wise contraction yields logarithmic complexity in the target accuracy. For the stochastic sampler, we introduce adaptive guidance and assume dissipativity of the velocity field to obtain uniform moment bounds independent of the noise-floor parameter. This leads to polynomial-time error bounds, and a matching lower bound shows constant guidance induces an unavoidable positive bias, motivating adaptivity. A hybrid deterministic-stochastic analysis is also provided. Experiments on static and time-dependent benchmark PDEs demonstrate competitive accuracy and faster inference than diffusion-based generative models.

At very high sparsity, neural network pruning does more than decide which weights remain. It also determines where pruning induced damage is placed across the network, and whether that damage can be recovered by a fixed lightweight repair procedure. We study this problem through the lens of repair conditioned sparsity allocation. We introduce Relative Repairability (RR), a calibration based diagnostic that compares the raw activation distortion caused by layerwise pruning with the residual distortion left after channelwise variance matching repair. RR estimates the fraction of local damage that remains after repair, using only unlabeled calibration data. Across ResNet18, ResNet34, and VGG16 BN on CIFAR10 and CIFAR100, we find that RR is not a universally dominant allocation rule. Instead, it is most useful near an architecture dependent recoverability transition, where standard structural or magnitude based allocation priors begin to lose reliability but post repair recovery has not yet fully collapsed. On CIFAR100 ResNet18, a fine grained sweep shows that RR improves over ERK across the central transition band and surpasses LAMP near the upper part of this band. A projection forced ablation further shows that capped ERK can over protect projection layers, shifting excessive sparsity onto regular convolutions and reducing post repair recovery. These results suggest that high sparsity pruning should allocate not only retained weights, but also repairable damage.

Importance weighting (IW) is a golden solver for joint distribution shift, where the joint distributions differ between the training and test data. To solve this problem, IW estimates test-to-training density ratios as importance weights and reweights the training losses accordingly. Recent advances in dynamic IW (DIW) integrate weight estimation into model training, enabling scalable IW for deep models and achieving strong performance on large modern datasets. Despite its promise, DIW remains limited in two aspects. First, it incurs substantial computational overhead by solving a kernel mean matching (KMM)-induced optimization problem to convergence in every mini-batch. Second, it relies solely on KMM for weight estimation, whereas the IW literature contains diverse estimation methods based on different divergence measures. In this paper, we propose accelerated DIW (ADIW), a unified and efficient IW framework for deep learning under joint distribution shift. ADIW performs a few lightweight projected gradient descent updates that warm-start from previously updated weights, substantially improving efficiency. Moreover, ADIW generalizes DIW into a unified divergence-minimization framework that supports diverse weight-estimation methods in a plug-and-play manner, including those based on the Kullback-Leibler divergence, squared distance, and Wasserstein-1 distance. We establish convergence guarantees for ADIW under mild conditions, and empirical results demonstrate that ADIW achieves state-of-the-art IW performance while being substantially more efficient.

Pairwise model comparisons drawn from foundation-model benchmarks ("A is safer than B") are read as quantitative verdicts but hinge on harness choices benchmark papers under-specify. We close one theory-benchmark loop on this primitive: a finite-envelope proposition tying a measurable pairwise-disagreement rate to whether the strict ordering admits a configuration-pair reversal, paired with a commit-stamped evaluation protocol that operationalises it on widely cited alignment benchmarks. On every benchmark we test, configuration choice alone can flip the pairwise verdict; the proposition isolates this strict-reversal failure mode.

Quantization-aware training (QAT) is widely deployed but typically relies on the Straight-Through Estimator (STE), which passes gradients through non-differentiable quantizers by fiat. This often makes training brittle near bin boundaries and weakly aligned with the actual behavior of the low-precision model. We introduce JacQuant, a QAT framework that learns a lightweight surrogate of the model's local sensitivity to parameter changes and uses it to stabilize and accelerate training within standard variance-reduced optimizers. The surrogate is inexpensive (diagonal or block-diagonal), data-driven, and compatible with common weight and activation quantizers. On code-preserving training phases, we prove convergence for non-convex objectives and obtain linear rates under a PL condition, and we relate the learned sensitivity to end-to-end output fidelity via a simple calibration argument. Across LLM benchmarks at $\leq 2$ bits, JacQuant consistently reaches higher accuracy than STE-based QAT, and the runtime analyses on various models show that the added cost remains negligible under practical group sizes. The method is drop-in and requires no changes to the forward quantizers; our empirical claims are scoped to ultra-low-bit LLM QAT.

Removing noise is difficult, but adding noise is easy. In this work, we show how to eliminate mean-shift noisy components from PCA by deliberately introducing knockoff mean-shift perturbation. Standard PCA is highly sensitive to shifts in the sample mean: a small fraction of samples from a shifted distribution can cause large deviations in the leading principal components. In high-dimensional regimes, existing Robust PCA approaches cannot handle the mean-shift contamination structure inherent in the mixture model. Using tools from Random Matrix Theory, we prove that the mean-shift spikes are spectrally separable from the stable eigenvalues of the original covariance. Furthermore, the original eigenspace remains asymptotically invariant to the contamination, independent of the mixture weight. Exploiting this spectral stability, we propose a simple, two-stage PCA algorithm by adding knockoff mean that identifies and removes the mean-shift component using only standard PCA operations.

Language models are pretrained as passive predictors with no incentive to model the consequences of their own outputs. Post-training changes this: a model producing its own responses can benefit from recognizing that it is on-policy. We present evidence that post-trained models recognize their on-policy generations, and this recognition is implicitly encoded in their output distributions. In particular, on-policy output distribution entropy is 3--4$\times$ lower than off-policy entropy, across model families and size classes. We trace part of this effect to an internal representation of input surprise, tracking the unlikeliness of the most recent input token according to the model's prior predictions, that causally modulates output entropy. One example of these phenomena can be observed in response to open-ended prompts; post-trained models (unlike pretrained models) collapse their uncertainty over the topic of their upcoming response before the first output token; violating this cached intention with a different-topic prefill results in higher output entropy. We also tested whether models can distinguish on-policy contexts from prefills via explicit verbal report. We find that they can, but that interestingly, this explicit recognition routes through a different mechanism than implicit recognition.

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited mathematical understanding of the performance of GNNs. We discuss the various perspectives used to study statistical generalisation in GNNs. We identify three broad frameworks. The first approach, rooted in learning theory, relies on uniform convergence bounds and the complexity of the hypothesis class of specific GNN architectures. This approach also builds on the expressivity of GNNs, typically studied through the lens of graph isomorphism tests. The second principle is to simplify the neural architecture by analysing GNNs under the asymptotics of infinitely many parameters or infinite graph size. This approach approximates GNNs using Gaussian processes, neural tangent kernels or graphon neural network operators, which allow studying the generalisation or stability of trained GNNs. The third framework studies GNNs under random graph models, often the contextual stochastic block model, and derives non-asymptotic error rates using tools from high-dimensional statistics. We highlight some key theoretical results and discuss a few limitations and open research questions for each perspective.

Electrocardiography (ECG) is central to cardiovascular care, but conventional AI models are often restricted to common arrhythmias and may generalize poorly across populations or clinically subtle diseases. We developed ECG Contrastive Language-Image Pre-training (ECGCLIP), a signal-language contrastive learning framework that aligns ECG waveforms with expert diagnostic reports. ECGCLIP was pre-trained on 2,837,962 ECG studies from 1,324,856 patients and evaluated on a held-out internal test set plus nine independent external cohorts comprising about 1.5 million ECGs. Evaluation covered 89 downstream tasks, including 45 ECG diagnoses, 39 echocardiographic targets, and 5 rare cardiac diseases, using PRAUC as the primary metric. ECGCLIP consistently improved performance over random initialization and Merl-R18 baselines. On the internal test set, ECGCLIP-R34 achieved strong performance for atrial fibrillation (PRAUC 0.900) and ST-segment elevation myocardial infarction (PRAUC 0.383), with robust generalization across all external cohorts. It also improved low-prevalence and diagnostically elusive diseases, including Ebstein anomaly, constrictive pericarditis, dextrocardia, and cardiac amyloidosis, with internal PRAUC values of 0.253, 0.175, 0.121, and 0.201, respectively. ECGCLIP was data efficient, matching or exceeding full-dataset baseline performance with only 10% of training data. Feature visualization and saliency analysis suggested clinically meaningful representations aligned with established electrocardiographic criteria. These findings indicate that large-scale ECG-report contrastive pre-training can expand routine ECG interpretation beyond common arrhythmias toward broad cardiovascular assessment and opportunistic screening of echocardiographic and rare conditions.

Missing data frequently arises across diverse domains, including time-series and image domains. In the real world, missing occurrences often depend on the unobservable values themselves, which are referred to as Missing Not at Random (MNAR). In this work, we introduce the Missing Pattern Recognized Diffusion Imputation Model (PRDIM), a novel framework that explicitly captures the missing pattern and precisely imputes unobserved values. PRDIM iteratively maximizes the likelihood of the joint distribution for observed values and missing mask under an Expectation-Maximization (EM) algorithm. In this sense, we first employ a pattern recognizer, which approximates the underlying missing pattern and provides guidance during every inference toward more plausible imputations with respect to the missing information. Through extensive experiments, we demonstrate that PRDIM consistently achieves strong imputation performance under MNAR settings across multiple data modalities.

Generalist graph anomaly detection (GAD) aims to detect anomalies on unseen graphs without graph-specific retraining. Nevertheless, existing approaches primarily focus on aligning heterogeneous features across different data domains via PCA-based projection, which harmonizes feature dimensions ignores feature semantics. As a result, GAD models fail to learn transferable semantic knowledge, and even exhibit negative transfer on unseen graphs. To address this issue, we propose a Relational Fingerprint-based generalist GAD approach (ReFi-GAD for short), aligning heterogeneous raw features with a universal and semantics-aware Relational Fingerprint (ReFi) that encodes anomaly-indicative cues from both contextual and structural perspectives. Building on ReFi, we design a fingerprint-grounded generalist GAD model, which combines a transformer-based encoder to capture domain-invariant knowledge with an SNR-guided refinement module for domain-specific adaptation. Extensive experiments on 14 datasets demonstrate that ReFi-GAD significantly outperforms state-of-the-art methods.

Existing LLM routing frameworks treat queries as independent events, neglecting the sequential nature of real-world user sessions constrained by global computational budgets. This mismatch inevitably leads to budget bankruptcy: myopic routing policies exhaust resources on early interactions, forcing subsequent and often more complex queries onto inadequate models. We introduce SeqRoute, a framework that formulates multi-turn routing as a finite-horizon Markov Decision Process and solves it via offline reinforcement learning. By incorporating the remaining budget into the state space and training with Conservative Q-Learning (CQL), SeqRoute learns delayed gratification to strategically preserve resources for high-stakes turns later in the session. To overcome data starvation, we propose Hindsight Budget Relabeling (HBR). This technique retrospectively simulates historical trajectories under diverse hypothetical budgets, expanding 10,000 raw sessions into 2.38 million transitions enriched with critical bankruptcy signals. At deployment, a dynamic $λ$-sweep mechanism enables zero-shot navigation of the cost-quality Pareto frontier without retraining. Extensive evaluations demonstrate that SeqRoute reduces operational costs by 6.0-73.5% while maintaining or improving quality, and suppresses bankruptcy rates to under 1%, strictly dominating behavior cloning, budget-aware heuristics, and static baselines across the entire Pareto frontier.

Effective learning support requires understanding not only what learners know but also how accurately they perceive their own understanding. This metacognitive dimension, known as knowledge monitoring, fundamentally influences self-regulated learning, yet this dimension remains underexplored in current systems. This paper introduces the Capture-Calibrate-Coach (3C) framework for adaptive learning support. The Capture phase extracts learners' perceived knowledge states from open-ended self-reports to construct a heterogeneous graph linking learners and knowledge concepts. The Calibrate phase applies a heterogeneous graph neural network to infer latent perceived states for concepts not explicitly mentioned, enabling systematic knowledge monitoring assessment. The Coach phase classifies learners into five metacognitive patterns and delivers personalized feedback addressing both knowledge gaps and calibration errors. Evaluation with 684 students demonstrates 85.21% AUC in predicting latent perceived states, significantly outperforming baseline methods. A user study with 47 participants shows positive reception of feedback quality, with participants particularly valuing concrete feedback on knowledge gaps and actionable study guidance. These findings advance AI-based learning support toward metacognitive teammates that foster accurate self-awareness while supporting knowledge growth.

Generating 3D models from face sketches is an active topic of research in Computer Graphics due to its potential to tremendously facilitate the modeling of faces for both professional 3D arists and novices. Motivated by the observation that facial expressions are responsible for significantly altering and shaping the contours in our faces, we combine both expression detection and 3D model generation in our approach. The result is a novel approach to generating 3D models from sketches which relies on three components: Convolutional Neural Networks, a parametric 3D face model (Valley Girl), and Active Snake Contours. For the first time in the literature, CNNs are trained (using our own generated dataset) to detect the expression in the given sketch through detecting the active FACS Action Units. The expression is then duplicated on Valley Girl to obtain a 3D model with a similar expression. Active Snake Contours are then used to find the transforms needed to close the gaps between that model and the given sketch.

Lookahead-based acceleration methods, such as Nesterov's momentum, are widely used in optimization, but they often become unreliable in deep learning training mainly due to stochastic gradient noise and non-convex loss landscapes. In particular, standard lookahead relies on short-horizon update signals (e.g., differences between consecutive iterates), which are inherently noisy and can lead to unstable extrapolation directions. This work revisits Nesterov's acceleration from a trajectory perspective and argues that effective acceleration in deep learning should harness the low-frequency trends of optimization trajectories rather than extrapolating noisy one-step updates. Leveraging this insight, we propose EMA-Nesterov, a simple modification that replaces the standard Nesterov's lookahead direction with an exponential moving average (EMA) of parameter updates. This yields a stabilized lookahead direction that captures and harnesses the evolving trend of the training trajectory through a low-pass filter, while remaining adaptive to progressive changes via the geometric weighting structure of EMA. We show that EMA-Nesterov retains a theoretical accelerated convergence rate in convex problems that is analogous to Nesterov's accelerated gradient method. Furthermore, we provide empirical evidence on language model pre-training to verify that EMA-Nesterov is broadly applicable across a range of fine-tuned base optimizers, including Adam, SOAP, Muon, as well as complex optimizers that achieve state-of-the-art performance on optimization benchmarks (NanoGPT). Compared to prior lookahead methods, EMA-Nesterov achieves better performance by avoiding the instability of short-horizon lookahead and the non-adaptivity of long-horizon lookahead.

We study the restless contextual multi-play multi-armed bandit (MP-MAB) problem for channel allocation in the opportunity spectrum access (OSA) scenario. Most existing MP-MAB methods are impractical for real-world OSA systems as they assume many ideal conditions, incur a heavy computational cost, and most importantly, ignore the impact of channel noise which is directly related to the quality of service. In this study, we embody this impact by modeling channel noise as a perturbation of the arm's reward function in MP-MAB. As there is an implicit correlation between channel state information and channel noise, we take the former as a context for MP-MAB to present the perturbation caused by the latter. We investigate two types of correlation between the context and the perturbation -- linear and nonlinear, and derive two index policies, respectively. These policies learn the correlations through a linear model and a neural network, and use estimated noise value to adjust the upper confidence bound. Numerical experiments demonstrate that the proposed policies can achieve lower regret and select sub-optimal arms in a more reasonable way.

Nucleotide sequences constitute the fundamental genetic basis of biological systems, rendering viral genomic analysis critical for biomedical advancement. Despite progress in biological foundation models, specifically nucleotide foundation models (NFMs), the field lacks a unified standard for viral genomics to facilitate community development and enforce biosecurity constraints. To address this, we introduce ViroBench, the first comprehensive and large-scale benchmark specifically designed for NFMs in viral settings. ViroBench evaluates models across two critical dimensions: biological understanding and latent biosecurity risk, covering 18 diverse scenarios within 4 task types. Extensive evaluation of 66 NFMs across diverse architectures yields three critical conclusions. Firstly, NFMs exhibit a performance degradation in biological understanding under phylogenetic and temporal shifts, indicating weak extrapolation capabilities. Secondly, generation tasks reveal a decoupling between statistical likelihood and biological functional validity, posing latent biosecurity risks. Thirdly, controlled ablation studies reveal that taxonomic diversity in pretraining data outweighs parameter scale. Specifically, a lightweight baseline trained on diverse data achieves a 67.5% performance gain over its original model. Overall, ViroBench provides interpretable, diagnostic evaluations and a reproducible measurement framework for future research on viral nucleotide foundation models. The datasets and code are publicly available at https://github.com/QIANJINYDX/ViroBench.

We consider graph diffusion processes constructed from finite i.i.d. samples drawn from an unknown manifold embedded in ambient Euclidean space, where the graph affinity is defined by an ambient Gaussian kernel matrix. We show that the manifold heat semigroup $Q_t = e^{tΔ}$ can be approximated directly by iterating the graph transition matrix $P$, under only low regularity assumptions on the test function $f$, including the case $f \in L^\infty$. We bound $\| P^n f - Q_t f \|$ in $\infty$-norm, with the operator application to $f$ properly defined, and we recover the classical graph-Laplacian pointwise rate $O(N^{-2/(d+6)})$ up to logarithmic factors, for diffusion times $t $ up to $O(1)$ and longer. The rate holds for in-sample error as well as out-of-sample generalization, where the estimator of $Q_t f$ at a new point is defined via kernel convolution. To handle non-uniform sampling densities on the manifold, we introduce a right-normalization of the graph transition matrix; under the assumption that the sampling density $p$ is $C^3$ and bounded away from zero, the same convergence rates hold. We numerically demonstrate the performance of the proposed estimator on simulated data.

Reinforcement learning with verifiable rewards (RLVR) has become a core technique for post-training of Large Language Models (LLMs). While policy optimization is driven by all sampled tokens under a globally broadcast scalar reward, the heterogeneous policy behaviors exhibited along trajectories are largely overlooked without differentiation. Existing works address this by credit allocation, including token-level advantage reweighting, and selective token optimization, however, the allocation criterion are principally stagnant throughout training, limiting resilient policy evolution. In this work, we argue that \textit{when} learning signals are scheduled can be as important as \textit{where} they are allocated across tokens, and introduce the temporal dimension that scheduling the credit allocation criteria over the course of RLVR optimization. We find that prioritizing targeted tokens emphasized with specific policy behaviors, and gradually attenuating toward general optimization leads to more stable and efficient learning dynamics. Furthermore, we show that simple trajectory percentiles provide a natural perspective for distinguishing policy behaviors, and works effectively with temporal scheduling. Our analysis reveals that standard optimization substantially sacrifices policy entropy when simultaneously accommodating heterogeneous behaviors, whereas temporal scheduling yields healthier policy evolution dynamics. Experiments across mathematical and general reasoning benchmarks demonstrate consistent improvements, suggesting that temporal scheduling constitutes a promising optimization dimension.

Deep learning models are vulnerable to adversarial perturbations, raising important concerns for safety-critical deployment. Empirical defenses can achieve strong robustness in practice, but lack formal guarantees, motivating the need for certifiably robust classifiers. While certified methods provide formal guarantees, they often yield overly conservative bounds due to their inability to exploit structure in complex data distributions. In this work, we propose a framework for designing certifiably robust classifiers that leverages latent structure in data representations. We first analyze the Gaussian mixture setting, deriving necessary and sufficient conditions for the existence of robust classifiers and constructing a classifier with a closed-form robustness certificate and generalization guarantees. Our main contribution is to show that exact structure is not required: we prove that if a pretrained encoder maps inputs to a latent distribution that is $\varepsilon$-close (in KL divergence) to a Gaussian mixture, then certified accuracy degrades gracefully, with an explicit bound relating robustness under the true and approximate distributions. This result enables the direct use of pretrained models without requiring exact distributional assumptions. Empirically, our method achieves state-of-the-art or competitive certified accuracy on CIFAR-10 and ImageNet, while maintaining strong clean performance and low computational overhead. Overall, our work establishes approximate latent structure as a practical and principled route to certifiable robustness.

Low-dose computed tomography (LDCT) reconstruction faces a critical tradeoff between reconstruction quality and resource requirements. While recent deep learning methods achieve state-of-the-art performance, they typically rely on over 500,000 parameters trained on large-scale datasets exceeding 35,000 scans. This work investigates whether graph-based regularization can provide meaningful noise reduction under strict resource constraints. We propose Deep Graph Laplacian Regularization (Deep GLR), integrating quadratic graph regularization into a Proximal Forward-Backward Splitting optimization framework with three lightweight CNN modules. Evaluated on the LoDoPaB-CT benchmark, Deep GLR achieves 30.70 dB PSNR, representing a 6.33 dB improvement over filtered backprojection, while using only 91,848 parameters trained on 1000 samples (2.8\% of standard training set). Compared to benchmark methods, this represents 5.8 times better parameter efficiency and 30 times better data efficiency per dB improvement. The learned graph bandwidth parameter ($ε$=1.25) converges to interpretable values, suggesting the method captures meaningful image priors rather than overfitting. While a 13 dB gap remains versus state-of-the-art methods, results demonstrate that graph-based regularization provides a favorable efficiency-quality tradeoff for resource-constrained medical imaging scenarios.

We introduce ERNIE-Image, an open-source text-to-image generation model built upon an 8B single-stream DiT architecture. ERNIE-Image aims to bridge the gap between current open-source models and leading closed-source systems through more effective mining of large-scale pre-training data and improved supervision quality throughout training. During pre-training, we adopt a bottom-up data construction pipeline that combines fine-grained image categorization, rich caption annotation, aesthetic assessment, and hierarchical sampling. This strategy reduces data noise while preserving long-tail concepts and detailed real-world knowledge, providing a stronger foundation for complex generation tasks. In the post-training stage, we use a top-down data construction pipeline for high-demand scenarios, diversify prompt annotations to better match real user inputs, and apply a stabilized DPO strategy to align the model with human aesthetic preferences. We further train ERNIE-Image-Turbo for efficient 8-NFE generation and propose MT-DMD to mitigate capability drift during distillation. To make the model easier to use in practical scenarios, we equip it with a lightweight Prompt Enhancer that expands concise user intents into structured visual descriptions. In addition, we develop ERNIE-Image-Aes, an industrial-grade aesthetic model, together with ERNIE-Image-Aes-1K, a human-annotated benchmark for realistic aesthetic evaluation. Extensive qualitative and quantitative experiments show that ERNIE-Image achieves leading performance among open-source models and approaches top-tier commercial models in instruction following, text rendering, and aesthetic quality. We release the trained models and aesthetic resources to facilitate further academic research and technical progress in the AIGC community.

Neural network (NN) dynamics models and control policies achieve strong performance in robotics, but providing sound guarantees under uncertainty remains difficult, especially for closed-loop NN systems. Existing reachability tools provide formal over-approximations, yet are often non-differentiable, overly conservative, or too slow for modern learning and online planning pipelines. To address this, we present a parallelizable, differentiable reachability framework in JAX for continuous- and discrete-time systems with analytical and NN-based dynamics and controllers. Our framework combines Taylor-model flowpipe construction with CROWN-style linear bound propagation through a unified representation that preserves affine dependencies while supporting GPU-batched computation and automatic differentiation. Building on this reachability primitive, we develop (i) a certified training method that encourages reachability-friendly dynamics models and controllers, and (ii) a reachability-aware sampling-based MPC scheme with gradient-based refinement. Experiments on non-prehensile manipulation and quadrotor tasks, including hardware and higher-dimensional evaluations (up to 72D), demonstrate practical online planning while maintaining certified reachable-set over-approximations under bounded uncertainty.

Large language models (LLMs) are dominated by dense linear transformations, whose storage, memory and computational overheads hinder efficient adaptation and deployment while masking the functional impacts of structural simplification. Here we present Tensor Mixture (MixT), a general tensor-structured compression scheme that replaces targeted dense linear layers with natively executable mixtures of tensor operators. Operating directly on generic linear projections instead of model-specific components, MixT is potentially applicable across Transformer-based LLMs and other dense neural mappings. We evaluate MixT on Qwen3-8B and LLaMA2-7B under a unified recovery protocol, identifying a broad compressible regime in which MMLU accuracy is largely preserved before an abrupt transition at model-specific boundaries. This transition coincides with coordinated shifts in output entropy, prediction entropy and inter-layer geometry. At the LLaMA2-7B transition boundary, MixT reduces full-model parameters by 47.5\%, inference FLOPs by 37.1\%, training FLOPs by 52.1\% and peak inference memory by 60.4\%, demonstrating its practical potential for lower-cost LLM compression.

Large language model (LLM) agents frequently fail on multi-step tasks involving reasoning, tool use, and environment interaction. While such failures are typically logged or retried heuristically, they contain structured signals about where execution broke down. We introduce CausalFlow, an interventional framework that converts failed agent traces into minimal counterfactual repairs and reusable supervision. CausalFlow models execution traces as sequential chains of dependent steps and computes Causal Responsibility Scores(CRS) via step-level counterfactual intervention to identify failure-inducing steps. For these steps, we generate minimally edited repairs that flip the final outcome to success, producing validated contrastive pairs of the form (wrong step, corrected step). CausalFlow supports two complementary uses: targeted test-time repair that recovers from failures with minimal behavioral drift, and training-time supervision suitable for offline preference optimization or reward modeling. Across four benchmarks spanning mathematical reasoning, code generation, question answering, and medical browsing, CausalFlow converts failed executions into validated minimal repairs with high minimality and causal-consensus scores, and demonstrates that causal attribution is necessary for reliable improvement across diverse agent tasks, outperforming heuristic refinement in complex retrieval settings while producing more localized repairs throughout. These results demonstrate that interventional analysis over structured execution traces provides a principled and scalable mechanism for transforming agent failures into reliability gains and learning-ready supervision.

World models for partially observed environments must imagine multiple compatible hidden futures and steer between them under counterfactual actions. Joint Embedding Predictive Architectures (JEPAs) do this in latent space, but a vector-valued latent has no internal structure for carrying the belief over hidden continuations through blind rollout. We introduce the Unitary World Model JEPA (UWM-JEPA), a JEPA world model with a density-matrix latent on a joint system-environment space and a learned unitary predictor. The construction preserves the joint-state spectrum exactly during rollout, so the predictor itself cannot dissipate the represented uncertainty. On a hidden-velocity indicator task requiring five-step forward simulation under a given action sequence with the target observation masked, UWM-JEPA reaches 0.77 accuracy and degrades monotonically as actions are perturbed; a parameter-matched LSTM-JEPA trained under the same counterfactual-target objective and action head collapses to majority-class accuracy (0.53) under every action condition. Under blind rollout, UWM-JEPA loses fewer than ten points of probe R^2 at short horizons while vector-latent baselines lose forty-one and sixty-eight; both nevertheless tie on a held-out context probe, locating the separation in the predictor rather than the encoder. Action sensitivity itself requires training against counterfactual rather than teacher-forced targets, a finding that applies beyond the unitary parameterisation. For JEPA world models to imagine under partial observability, latent geometry and predictor dynamics matter, not frozen context-encoding capacity alone.

Electricity expense management presents significant challenges, as this resource is susceptible to various influencing factors. In universities, the demand for this resource is rapidly growing with institutional expansion and has a significant environmental impact. In this study, the machine learning models long short-term memory (LSTM), random forest (RF), support vector regression (SVR), and extreme gradient boosting (XGBoost) were trained with historical consumption data from the Federal Institute of Paraná (IFPR) over the last seven years and climatic variables to forecast electricity consumption 12 months ahead. Datasets from two campuses were adopted. To improve model performance, feature selection was performed using Shapley additive explanations (SHAP), and hyperparameter optimization was carried out using genetic algorithm (GA) and particle swarm optimization (PSO). The results indicate that the proposed cooperative ensemble learning approach named Weaker Separator Booster (WSB) exhibited the best performance for datasets. Specifically, it achieved an sMAPE of 13.90% and MAE of 1990.87 kWh for the IFPR-Palmas Campus and an sMAPE of 18.72% and MAE of 465.02 kWh for the Coronel Vivida Campus. The SHAP analysis revealed distinct feature importance patterns across the two IFPR campuses. A commonality that emerged was the strong influence of lagged time-series values and a minimal influence of climatic variables.

Concept Bottleneck Models (CBMs) have emerged as a cornerstone approach for interpretable machine learning, providing human-understandable intermediate representations through explicit concept activations. However, this interpretability fundamentally introduces a critical, previously unexplored attack surface: the concept bottleneck layer itself. We present a comprehensive, systematic study of concept-level adversarial vulnerabilities in CBMs, revealing that targeted, minimal perturbations operating on input pixels can induce catastrophic misclassification by manipulating semantic representations. We develop a rigorous theoretical framework to quantify concept-space robustness, establishing novel metrics that expose the vulnerability landscape of these architectures. Our extensive analysis on the CUB-200-2011 dataset demonstrates that standard CBMs exhibit severe susceptibility to concept-level manipulation. To address this critical weakness, we introduce SPECTRA (Semantic Perturbation-based Concept Training for Robustness against Attacks), a principled stability regularization defense. SPECTRA effectively hardens the semantic representation space, increasing the minimal perturbation norm required for a successful attack from 0.46 to over 4,200, rendering targeted concept manipulation computationally prohibitive. Furthermore, SPECTRA preserves baseline classification accuracy to within 2.2%. By establishing concept-level attacks as a fundamentally distinct threat model, this work opens a new research frontier at the intersection of interpretable machine learning and adversarial robustness.

Online experiments in ads, recommendation, and member-experience systems are often planned before the dominant interference mechanism is known. A treatment may propagate through budgets, inventory, producer exposure, graph spillovers, or temporal carryover, making the randomization design itself a statistical decision. We formulate this problem as robust design selection over uncertain exposure mechanisms. Given a finite catalog of six implementable designs, the selector compares each design by worst-case planning risk over an ambiguity set. The risk combines exposure bias, assignment-unit variance, minimum detectable effect, contamination or carryover, operational cost, and estimand mismatch. For theoretical justification, the paper develops a geometry-aware guarantee, stating that design bias is bounded by Wasserstein distance to the launch exposure distribution, and this penalty is minimax tight under Lipschitz exposure response. We also prove finite-catalog approximation and a robust selector theorem with excess-risk control, exact recovery under separation, and certified shortlists when the risk surface is flat. Empirically, the same selector gives different recommendations across samples from public datasets. It selects user-randomization on Criteo ads with dimensionless robust risk 1.295, switchbacks on Open Bandit-bts/men with risk 2.105, and cluster-randomization on KuaiRand with risk 2.240. The Open Bandit case stresses known but uneven logging support, with propensities from 0.00006 to 0.594 and a 5.17% IPS effective-sample share. Overall, the paper contributes an interference-aware experiment design framework based on mechanism-robust design decisions, where the output is either a justified design choice or an uncertainty shortlist.

The Neural Tangent Kernel (NTK) framework explains optimization in over-parameterized neural networks via approximately linearized dynamics, yielding exponential convergence guarantees. However, existing results are often overly pessimistic and do not match the fast training in practice, as they depend on the smallest NTK eigenvalue, which is typically extremely small in practice. In this work, we develop sharper convergence guarantees by characterizing the interaction between data labels and the NTK eigen-spectrum. We identify two key phenomena, Label-NTK alignment and Residual-NTK alignment, showing that projections of labels and residuals onto NTK eigenvectors scale with the corresponding eigenvalues. We provide empirical evidence and theoretical justification under mild data assumptions. Exploiting these alignment properties, we derive a refined convergence bound that depends on the full spectrum and closely matches practical training dynamics, significantly improving over classical worst-case results. We further obtain improved generalization bounds. Experiments on MLPs and CNNs across multiple datasets validate our theory.

Safe in-context reinforcement learning (ICRL) adapts online from interaction history without test-time parameter updates while controlling episode cost under a safety budget. Under out-of-distribution (OOD) deployment shifts, pretraining-only safe ICRL can give poor reward-safety tradeoffs because the remaining budget affects behavior only through frozen policy conditioning, not an explicit action-level check against predicted future cost. We propose a latent Q-Barrier shield that learns a context representation, latent dynamics, and an ensemble cost critic before deployment. Without parameter updates, the shield infers context from history and filters or softly reweights candidate actions using the remaining budget and predicted future cost. We prove a conditional, error-decomposed barrier-margin result: a Q-Barrier-satisfying action leaves the next latent-budget state with an approximately budget-safe continuation under the learned critic, up to Bellman and latent-prediction errors. Across five safe ICRL benchmarks, the shield improves deployment-time reward-safety tradeoffs over a strong safe-ICRL baseline: after a short context window, it achieves higher return in four of five benchmarks while matching or lowering average episode cost in all five.

Recommender systems generally optimises user engagement, but this approach is dangerous in mental health contexts. When vulnerable users show signs of suicidal ideation, standard algorithms often trap them in echo chambers of harmful content, worsening their psychological state. In response, we introduce RankAid, a re-ranking method that prioritises clinical safety alongside predictive relevance. It works as an add-on layer to existing models: it penalises risky items and boosts therapeutic content depending on the user's current level of vulnerability. We evaluated this approach using the MovieLens 1M dataset, where items were semantically annotated for clinical risk and therapeutic value using large language models. Our simulations show that our algorithm successfully blocks the recommendation of harmful content during crisis peaks, actively reshaping the feed to support emotional de-escalation. Furthermore, this safety intervention only causes a controlled, acceptable drop in standard accuracy metrics like NDCG. By using asymmetric hyperparameters, RankAid also gives system administrators the flexibility to tune the severity of the intervention based on specific clinical guidelines.

Human feedback often arrives as preferences rather than calibrated numeric rewards, motivating reinforcement learning from preferential feedback, also referred to as reinforcement learning from human feedback (RLHF). We present a rigorous theoretical study of preference-only learning in episodic kernel MDPs. In each episode, the learner deploys two policies from a common start state and receives a single binary label indicating which trajectory is preferred, modeled by a Bradley--Terry--Luce link on the difference of cumulative (unobserved) rewards. Under kernel-based assumptions on the reward and transition functions (one of the most general models amenable to theoretical analysis) we develop preference-based value estimation and confidence sets tailored to end-of-episode comparisons. We prove high-probability regret bounds that scale sublinearly in the number of episodes, implying that the value of the learned policy converges to that of the optimal policy.

Recently, Reinforcement Learning with Verifiable Rewards (RLVR) and Test-Time Scaling (TTS) have advanced LLM code generation through executable verification. Yet Ground-Truth Unit Tests (GT UTs) remain a bottleneck: SOTA RLVR methods require them for costly training, while existing TTS methods lose competitiveness without them. This motivates GT-free TTS, where existing methods directly use self-generated UTs to refine and select code candidates. Yet such UTs are often noisy or spuriously coupled with wrong code, and UT quality in turn cannot be validated without reliable code. The key challenge is therefore to jointly improve both. To this end, we present CoSPlay, a GT-free, training-free framework that jointly improves codes and UTs through cooperative self-play. It first explores diverse solution ideas and identifies their potential failure modes to produce discriminative UT ideas. It then uses bidirectional pass-count signals from the Code-UT execution matrix to iteratively prune or fix weak codes and refresh or replace unreliable UTs, letting the two pools co-evolve. Finally, when multiple codes remain tied at the highest pass count, it picks the final code from the largest output-consensus cluster, since correct codes agree on the same inputs while wrong codes diverge. Experiments on four challenging benchmarks show that CoSPlay on Qwen2.5-7B-Instruct improves average BoN from 22.1% to 33.2% and UT accuracy from 14.6% to 78.3%, matching or surpassing the RLVR model CURE-7B. When applied to CURE-7B, it further improves BoN by 5.7%. CoSPlay also generalizes across diverse backbones and outperforms GT-free TTS baselines under comparable token budgets, with continued gains as the budget scales up. These results suggest a scalable inference strategy for competitive code generation without any GT data.

Bayesian optimization is widely employed for optimizing complex black-box functions but struggles with the curse of dimensionality. Random embedding, as a dimension reduction strategy, simplifies tasks that possess the effective dimension by optimizing within a low-dimensional subspace. However, determining the effective dimension of a task in advance remains a significant challenge, which influences the selection of the subspace dimensionality and the optimization performance. Traditional methods use fixed subspace dimensions provided by experts or rely on trial and error to estimate subspace dimensions with resources consumed. To this end, this paper proposes an automated random embedding for high-dimensional Bayesian optimization with unknown effective dimension, called Dynamic Shared Embedding Bayesian Optimization (DSEBO). DSEBO starts with a low dimension and switches to a higher subspace if the solutions in the current subspace show preliminary convergence. DSEBO dynamically determines the dimension of the next subspace based on the quality of the solutions in different subspaces and shares the queried solutions with the new subspace for a better initialization. Theoretically, we derive a regret bound for DSEBO and demonstrate that DSEBO can better balance approximation and optimization errors. Extensive experiments on functions with dimensionality of varying magnitudes and real-world tasks with unknown effective dimensions reveal that, compared with state-of-the-art methods, alternating optimization across different subspaces results in significant improvements in high-dimensional optimization, both in terms of optimization regret and time.

Compositional energy-based models can generalize to larger combinatorial reasoning problems by reusing a learned factor energy across many local constraints. In our paper, we show that a key bottleneck in compositional reasoning is not composition itself, but the non-convex geometry of the learned energy landscape. To solve this problem, we introduce Convex Compositional Energy Minimization (CCEM), a framework that parameterizes each factor with an input-convex neural network and optimizes the composed energy over a tight convex relaxation of the feasible set. Because convexity is preserved under summation, the global relaxed objective remains convex, enabling deterministic projected first-order optimization. CCEM is trained in two stages: factor-level contrastive learning to shape local energy basins, followed by end-to-end refinement through an unrolled projected solver. Our experiments show that our models trained on small subproblems or a single problem size transfer to larger instances without retraining.

Controlling physics-based humanoids from natural-language instructions is a critical step toward general-purpose embodied agents. However, existing methods remain constrained by a tension between semantic expressiveness and physical feasibility, often failing to jointly achieve faithful instruction following, high-quality motion, and stable long-horizon control. We propose SCRIPT, a scalable diffusion policy with a multi-stage training framework for language-driven physics-based humanoid control. The core of SCRIPT is a Joint Action-State-Text Diffusion Transformer (JAST-DiT), which represents actions, physical states, and text as dedicated token streams and couples them through joint attention, enabling direct interaction between language semantics and control dynamics. To stabilize autoregressive control, we introduce a nonlinear history conditioning mechanism, which preserves the dense recent context and samples increasingly sparse cues from long-term history. Beyond supervised imitation pre-training, we propose a post-training stage, further improving the performance using Reinforcement Learning with Hybrid Rewards (RLHR). By injecting learnable noise into the flow-sampling process, RLHR effectively improves motion quality and instruction following within closed-loop simulations using hybrid physical feedback and text rewards. Quantitative evaluations demonstrate that SCRIPT outperforms prior state-of-the-art methods, with gains across text alignment, motion quality, and physical realism metrics. Furthermore, scaling studies on the 1200-hour MotionMillion dataset demonstrate consistent performance gains with model scaling, highlighting SCRIPT's robust scalability for large-scale pre-training. Our code will be publicly available for future research.

Modelling claim frequency and severity for non-life insurance pricing predominantly relies on generalised linear models, with gradient-boosted machines as the leading machine learning alternative. Tabular foundation models (TFMs) present a fundamentally different inference paradigm. By pre-training on large collections of synthetic datasets, TFMs enable inference on new data through in-context learning, without any dataset-specific fitting or hyperparameter tuning. This paper presents a first empirical evaluation of TabPFN for motor insurance pricing, benchmarking it against GLM and XGBoost on two publicly available MTPL datasets. Our results show that TabPFN does not consistently outperform established baselines, exhibits substantially longer inference times, and is sensitive to the size of the in-context training set. While tabular foundation models represent a promising direction, particularly in data-scarce settings, their current performance does not offer a viable replacement for established actuarial methods.

Channel foundation models assume access to fully observed channels, an assumption that fails in deployment. We introduce PilotWiMAE, a self-supervised framework whose encoder ingests noisy pilot observations directly and whose attention factorizes along the axis separating temporal from joint space-frequency processing, an inductive bias inspired by the physics of the problem. Pilot input shrinks the observation space by up to two orders of magnitude and also removes the unrealistic assumption of full-CSI availability while incurring lower latency. The factorized design generates robust representations by exploiting the separable channel structure and allows a pretraining mask ratio of $99\%$. We pair patch-normalized reconstruction, which captures small-scale fading structure, with an auxiliary scale loss that recovers the large-scale fading features, and use an AWGN curriculum to match pilot noise at pretraining and deployment. Pretrained solely on $3.5$\,GHz and evaluated at $28$\,GHz across in-distribution and out-of-distribution settings, PilotWiMAE's cross-frequency beam selection and channel characterization beat supervised baselines despite operating on a smaller observation space. To weaken the coupling between decoder capacity and representation quality, we further propose a decoder-centric pretraining stage following the encoder-decoder joint pretraining, which allows PilotWiMAE to demonstrate competitive channel estimation without sacrificing representation quality. To foster further work in this direction, we release the PilotWiMAE pretrained weights and training pipeline, together with CSIGen, our Sionna-based ray-tracing channel-generation tool, and the channel datasets used in this work.

We propose and analyze a conservative drifting method for one-step generative modeling. The method replaces the original displacement-based drifting velocity by a kernel density estimator (KDE)-gradient velocity, namely the difference of the kernel-smoothed data score and the kernel-smoothed model score. This velocity is a gradient field, addressing the non-conservatism issue identified for general displacement-based drifting fields. We prove continuous-time finite-particle convergence bounds for the conservative method on $\R^d$: a joint-entropy identity yields bounds for the empirical Stein drift, the smoothed Fisher discrepancy of the KDE, and the squared center velocity. The main finite-particle correction is a reciprocal-KDE self-interaction term, and we give deterministic and high-probability local-occupancy conditions under which this term is controlled. We keep the quadrature constants explicit and track their possible bandwidth dependence: the root residual-velocity rate $N^{-1/(d+4)}$ holds under an additional $h$-uniform quadrature regularity condition, while a more general growth condition yields the optimized root rate $N^{-(2-β)/(2(d+4-β))}$, where $0\le β<2$. We also analyze the non-conservative drifting method with Laplace kernel, corresponding to the original displacement-based velocity proposed in Deng et al., 2026 (arxiv:2602.04770). For this method, a sharp companion kernel decomposes the velocity into a positive scalar preconditioning of a sharp-score mismatch plus a Laplace scale-mismatch residual, producing an analogous finite-particle rate with an unavoidable residual term. Finally, we explain how the continuous-time residual-velocity bounds translate into one-step generation guarantees through the explicit drift size $η$.

Time Series Forecasting (TSF) is highly vulnerable to backdoor attacks, yet effective defenses remain underexplored due to challenges arising from data entanglement and shifts in task formulation. To fill this gap, we conduct a systematic evaluation of thirteen representative backdoor defenses across the TSF life cycle and analyze their failure modes. Our results reveal two fundamental issues: (1) data entanglement induces channel-level signal dilution, rendering sample-filtering and trigger-synthesis defenses ineffective at localizing backdoors; and (2) task-formulation shift leads to training-loss degeneration, causing poisoned and clean windows to become indistinguishable at training stages. Based on these findings, we propose a training-time backdoor defense for TSF, termed TimeGuard. Our method adopts channel-wise pool training as the core paradigm and initializes a high-confidence pool using time-aware criteria to mitigate signal dilution. Moreover, we introduce distance-regularized loss selection to progressively expand the reliable pool during training and ease loss degeneration. Extensive experiments across multiple datasets, forecasting architectures, and TSF backdoor attacks demonstrate that TimeGuard substantially improves robustness, boosting $\mathrm{MAE}_\mathrm{P}$ by $1.96\times$ over the leading baseline, while preserving clean performance within 5% $\mathrm{MAE}_\mathrm{C}$.

Partial differential equation (PDE) foundation models are pretrained networks that forecast how physical fields like velocity and pressure evolve from a single reusable solver. On unfamiliar flows their predictions drift step by step, errors concentrate in a few regions, yet retraining destabilizes the network and uniform post-hoc correction overlooks this spatial concentration. To address this, we propose a frozen-solver post-hoc correction framework, Adaptive Risk-Calibrated Spatial Triage for Auditable Refinement (ARC-STAR). ARC-STAR organizes correction into three stages: a global corrector removes broad solver bias, a blockwise local refiner cleans the post-global residual, and, at deployment, a label-free score routes refinement to high-risk blocks under a compute budget. The framework is designed to be (i) frozen-host, preserving the pretrained solver without fine-tuning; (ii) auditable, with global and local stages trained and evaluated separately for measurable contributions; and (iii) budget-aware, using a blockwise interface that either refines the full field or routes limited compute to high-risk regions. Across five flow benchmarks spanning ten regime cells, ARC-STAR is the only method that cuts velocity rollout error by at least 36x over raw Poseidon on every cell. The global stage reduces raw host error by 91-99%, and the local stage further reduces the remaining post-global residual by up to 94.4%.

Gated Linear Units (GLU) and their variants are widely adopted in modern open-source large language model architectures and consistently outperform their non-gated counterparts, yet the underlying reasons for this advantage remain unclear. In this work, we study GLU by analyzing two-layer networks in the neural tangent kernel (NTK) regime. Our analysis reveals that the GLU structure reshapes the NTK spectrum, leading to a smaller condition number and a more compact eigenvalue distribution. Building on this finding, we further analyze the resulting training dynamics and show how the reshaped spectrum leads to faster convergence of GLU models, including a characteristic loss-crossing phenomenon observed between GLU and non-GLU models. Finally, we empirically observe that GLU has limited impact in reducing the generalization gap on various models, including ViT and GPT-2, suggesting that its primary benefit lies in accelerating optimization rather than reducing the generalization gap. The code is available at: https://github.com/Zemdalk/GLU-NTK.

Scaling model performance typically requires increasing model size. Looped Transformer offers a compelling alternative by iteratively reusing the same Transformer blocks, trading additional computation for improved performance without increasing parameter count or context length. Because the number of loop iterations can be adjusted at inference, it also provides a natural mechanism for balancing performance and test-time compute. However, Looped Transformer still suffers from training instability when the number of loop iterations increases. Our analysis reveals that this instability stems from two sources: gradient oscillation and residual explosion. To address these two problems, we propose the Fully Looped Transformer, which introduces two parameter-free modifications: (1) Fully Looped Architecture, which distributes inter-loop signals across all layers to mitigate residual explosion; (2) Attention Injection, which reuses the existing attention block to suppress gradient oscillation. These modifications stabilize training dynamics, enabling the Fully Looped Transformer to be trained stably up to 12 loop iterations, whereas other baseline looped models collapse in this regime. In milder settings where Looped Transformer does not collapse, Fully Looped Transformer still improves average downstream-task performance by up to 13.2\%. Overall, our experiments demonstrate that Fully Looped Transformer improves training stability, enhances downstream performance, and provides preliminary adaptability under different test-time compute budgets by varying loop iterations at inference.

Spatial intelligence unfolds through a perception-action loop: agents act to acquire observations, and reason about how observations vary as a function of action. Rather than passively processing what is seen, they actively uncover what is unseen - occluded structure, dynamics, containment, and functionality that cannot be resolved from passive sensing alone. We move beyond prior formulations of spatial intelligence that assume oracle observations by recasting the observer as an actor. We introduce ESI-BENCH, a comprehensive benchmark for embodied spatial intelligence spanning 10 task categories and 29 subcategories built on OmniGibson, grounded in Spelke's core knowledge systems. Agents must decide what abilities to deploy - perception, locomotion, and manipulation - and how to sequence them to actively accumulate task-relevant evidence. We conduct extensive experiments on state-of-the-art MLLMs and find that active exploration substantially outperforms passive counterparts, with agents spontaneously discovering emergent spatial strategies without explicit instructions, while random multi-view often adds noise rather than signal despite consuming far more images. Most failures stem not from weak perception but from action blindness: poor action choices lead to poor observations, which in turn drive cascading errors. While explicit 3D grounding stabilizes reasoning on depth-sensitive tasks, imperfect 3D representation proves more harmful than 2D baselines by distorting spatial relations. Human studies further reveal that unlike humans who seek falsifying viewpoints and revise beliefs under contradiction, models commit prematurely with high confidence regardless of evidence quality, exposing a metacognitive gap that neither better perception nor more embodied interaction alone can close.

Data assimilation (DA) addresses the problem of sequentially estimating the state of a dynamical system from noisy and incomplete observations. In this work, we employ a diffusion model as a world model to simulate and predict the system's dynamics. Recently, score-based diffusion models have learned global diffusion priors that effectively model (stochastic) dynamics, revealing strong potential for data assimilation. In this paper, we investigate how information from noisy observations can be incorporated to enable continuous correction and refinement of the predicted system state when using a diffusion prior. Motivated by particle filtering methods, we represent the posterior distribution using a set of particles. After receiving noisy observations, the diffusion model is guided using the observation likelihood to steer the generation process toward observation-consistent states. Nevertheless, such guidance does not guarantee sampling from the true posterior. We therefore employ a Sequential Monte Carlo approach over the diffusion trajectory, viewed as a path measure, to reweight and resample particles, thereby correcting the generation process and ensuring convergence toward the desired posterior distribution. This leads to an unbiased particle filtering method that rigorously fuses observational data with diffusion model simulations.

A fundamental challenge in recommender systems is balancing reliability for Low-Active Users (LAUs) with diversity for High-Active Users (HAUs). The key to this balance lies in quantifying model uncertainty, which approximates the risk of prediction errors and reveals the limits of the model's current knowledge. On large-scale short-video and livestream platforms, model uncertainty can warn of low-quality recommendations that may lead to disengagement of LAUs and at the same time identify opportunities to diversify content recommendation for HAUs. To leverage this dichotomy, we introduce a unified, production-ready framework that calibrates uncertainty to drive differentiated strategies. Specifically, we implement a model-uncertainty-based risk-averse deboosting policy for LAUs to suppress unreliable recommendations, while employing a risk-seeking Upper Confidence Bound (UCB) strategy for HAUs to encourage exploration. Validated on a major livestream platform, our framework demonstrates significant improvements in retention (active hours) and satisfaction (quality watch time ratio) for LAUs as well as remarkable increases in interest diversity and category coverage for HAUs, proving the value of uncertainty-aware recommendation in industrial settings.

Mainstream methods for multivariate time-series forecasting largely follow the Direct-Mapping paradigm. They learn a unified mapping from history to the future in the observation space to fit value-level dependencies. However, real-world systems often undergo distribution shifts and regime changes. In such cases, a unified mapping can exhibit response lag around turning points, causing error accumulation within the switching window and reducing forecasting reliability. To address this issue, we propose L-Drive, a change-aware forecasting framework. L-Drive introduces a Latent-Context, to explicitly characterize high-level dynamics evolving over time, and uses gating to modulate increment representations. This provides more timely change cues and improves adaptation to changing segments. In addition, it incorporates patch-shared relative positional basis functions to strengthen intra-segment structural modeling and reduce overfitting caused by absolute-position memorization. Extensive experiments validate the effectiveness of L-Drive and show a better overall trade-off between forecasting accuracy and computational efficiency.

Predicting model performance at larger scales enables the design of training strategies and architectures tailored to specific performance targets. Empirical scaling law research identifies functional forms to aid this prediction task. These describe the relationship between loss and compute using a loss-compute frontier defined by learning curves. Due to the empirical nature of this approach, the computational burden is substantial, making strategic resource allocation essential - yet it remains surprisingly underexplored. In this work, we address this shortcoming by exploring the suitability of Successive Halving (SH) and SH combined with parametric and non-parametric surrogate models. In addition to enabling a more systematic allocation of a given compute budget, our findings show that SH paired with surrogate models yields a set of learning curves that includes one with a lower loss-compute value than what naive uniform allocation or an SH-only approach can obtain. Our experiments demonstrate mean relative improvements of up to 2.84% and 5.47% on real-world and synthetic learning curve datasets. This strategic resource allocation enables us to obtain accurate scaling laws at significantly reduced computational costs, saving up to 98.7% over the traditional exhaustive approach.

Graph neural networks (GNNs) have achieved remarkable success in relational learning. However, their vulnerability to graph backdoor attacks (GBAs) poses a significant barrier to broader adoption in high-stakes applications. Despite recent advances in graph backdoor defense (GBD), existing methods primarily focus on subgraph-based GBAs, relying on the assumption that poisoned target nodes are explicitly connected to subgraph triggers. Our empirical results reveal that such structure-centric approaches fail to defend against emerging feature-based GBAs that preserve graph topology. Therefore, in this paper, we study a novel problem of universal graph backdoor defense. First, we investigate the shared effects of both attack types from a feature-based homophily perspective, which characterizes local feature consistency between nodes and their neighborhoods. Thorough theoretical and empirical analyses demonstrate that, regardless of trigger mechanisms, backdoors induced by GBAs exhibit lower feature-based homophily than clean nodes, indicating a discrepancy in local feature similarity. Motivated by this insight, we propose to leverage node-level local feature consistency, modeled by a neighbor-aware reconstruction loss, to distinguish backdoors from clean nodes. Then, a robust training strategy is developed to eliminate trigger effects while reducing noise induced by detection uncertainty. Extensive experiments demonstrate that our framework significantly degrades the attack success rate and maintains competitive clean accuracy under both subgraph-based and feature-based attacks.

LLM-as-a-judge has become the dominant paradigm for grading model outputs at scale, yet the same model assigns systematically different scores when its output format changes (e.g., a 1-5 rating vs. a True/False label). Existing diagnoses of these format-induced inconsistencies stop at the input-output level. Using Position-aware Edge Attribution Patching (PEAP), we causally investigate the internal mechanism in Gemma-3, Qwen2.5, and Llama-3. We find that judgments across structured understanding and open-ended preference tasks share a sparse, generalized Latent Evaluator sub-graph in the mid-to-late multi-layer perceptrons (MLPs); zero-ablating it collapses judgment while preserving world knowledge in architecturally modular models. By structurally decoupling abstract judging from output formatting, we provide a mechanistic account of format-induced inconsistency on the open-weight models we study: a continuous judgment signal computed in the shared trunk is mapped through fragile, format-specific terminal branches, enabling format-independent preference to be isolated downstream of the requested output format. Our findings imply that benchmark-level reliability comparisons across formats are partially measuring formatter geometry rather than evaluation quality.

De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control over how generated structures move beyond the observed distribution. In this paper, we introduce a concept-based compositional framework for crystal generation. We train a vector-quantized variational autoencoder to automatically discover a shared set of reusable crystal concepts, which serve as building blocks for guided generation. These learned concepts naturally exhibit interpretability from both local atomic environments and global symmetry patterns, and generalize to crystals from different distributions. By recombining such concepts, our framework enables controllable exploration of novel crystals beyond the training distribution, rather than relying solely on unconstrained random sampling. To further improve composition efficiency, we introduce a composition generator and iteratively refine it using high-quality samples generated by the model itself. The resulting concept compositions are then used to condition downstream crystal generation. Numerical experiments on MP-20 and Alex-MP-20 show that compositing concepts separately increase base model up to 53.2% and 51.7% on V.S.U.N metric, with particular gains in novelty.

De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery. Our empirical analysis shows that current crystal generative models exhibit a clear conflict between stability and novelty: samples near the observed distribution tend to retain stability but offer limited novelty, whereas samples farther from it often lose stability rapidly. This suggests that the useful region for discovering crystals that are both stable and novel is extremely narrow. To move beyond this limitation, we introduce Crys-JEPA, a joint embedding predictive architecture for crystals that learns an energy-aware latent space preserving formation-energy differences. In this space, stability assessment can be reformulated as an embedding-based comparison against accessible training crystals, reducing the reliance on expensive energy evaluation and task-specific external references. Building on Crys-JEPA, we further develop a screening-and-refinement pipeline that identifies promising generated crystals and reintroduces them to refine the generative model. On MP-20 and Alex-MP-20 datasets, we achieve improvements over baselines up to 53.8% and 72.7% on V.S.U.N. metric, respectively.

Data selection during supervised fine-tuning (SFT) can critically change the behavior of large language models (LLMs). Although existing work has studied the effect of selecting data based on heuristics such as perplexity, difficulty, or length, the reported findings are often inconsistent or context-dependent. In this work, we systematically study the role of data difficulty in fine-tuning from both empirical and theoretical perspectives, and find that there is no universally optimal difficulty level; rather, its effectiveness depends on the dataset size. We show that for a fixed data budget, there exists an optimal data difficulty for SFT, and that this optimal difficulty shifts toward harder data as the data budget increases. To explain this phenomenon, we conduct controlled synthetic experiments that reveal a simple underlying mechanism: the interplay between the (in-distribution) generalization gap and the extrapolation gap. We further support this mechanism through a theoretical analysis using PAC-Bayesian generalization bounds. Overall, our results clarify how data size and difficulty jointly affect the trade-off between generalization and extrapolation in SFT, providing guidance for difficulty-based data selection under certain model and data conditions.

Visual latent reasoning lets a multimodal large language model (MLLM) create intermediate visual evidence as continuous tokens, avoiding external tools or image generators. However, existing methods usually follow an output-as-input latent paradigm and yield unstable gains. We identify evidence for a feature-space mismatch that can contribute to this instability: dominant visual-latent models build on pre-norm MLLMs and reuse decoder hidden states as predicted latent inputs, even though these states occupy a substantially different norm regime from the input embeddings the model was trained to consume (Xie et al., 2025; Li et al., 2026; Team et al., 2026). This mismatch can make direct latent feedback unreliable. Motivated by this diagnosis, we propose GAP, a Granular Alignment Paradigm for visual latent modeling. GAP aligns visual latent reasoning at three levels: feature-level alignment maps decoder outputs into input-compatible visual latents through a lightweight PCA-aligned latent head; context-level alignment grounds latent targets with inspectable auxiliary visual supervision; and capacity-guided alignment assigns latent supervision selectively to examples where the base MLLM struggles. On Qwen2.5-VL 7B, the resulting model achieves the best mean aggregate perception and reasoning performance among our supervised variants. Inference-time intervention probing further suggests that generated latents provide task-relevant visual signal beyond merely adding token slots.

Supervised Fine-Tuning (SFT) is widely used for task-specific adaptation, yet recent work shows it systematically undermines reasoning generalization. We argue the root cause is not memorization itself, but its target: vanilla SFT drives models to exploit and memorize spurious surface correlations in problem-solution pairs, leaving them brittle to superficial input variations. To address this, we propose Theorem-SFT, which reorients supervision toward explicit theorem application by teaching models how rules are invoked rather than what answers look like. Theorem-SFT yields consistent gains across benchmarks and model families: +8.8% on MATH (LLaMA3.2-3B-Instruct) and +20.27% on GeoQA (Qwen2.5-VL-7B-Instruct) without modality-specific re-training. Fine-tuning MLP layers alone matches full-layers performance, implicating feed-forward components as the primary locus of reasoning rules. Our findings reframe the debate: Generalization failures stem not from memorization as a mechanism, but from memorizing the wrong inductive targets.

Body composition assessment (BCA) provides detailed information about the distribution of different tissue types in the body, enabling more precise characterization of individuals than BMI or weight alone. Consistent and frequent BCA would be valuable for personalized medicine, but the gold standard methods for BCA, such as CT and MRI, are only practical for opportunistic monitoring of patients with clinical indications for imaging and are not suitable for routine use in the general population. Here, we consider an imaging modality which is not currently used in medical applications: millimeter wave (mmWave) radar. Commonly used in security settings, mmWave scans enable fast, non-intrusive, and privacy-preserving reconstruction of full body shape without the need to remove clothing. To demonstrate the feasibility of fast and convenient BCA from mmWave scans, we present a method for BCA value regression using a multi-task learning strategy that leverages synthetic mmWave-like point clouds derived from clinical imaging and parametric human models. We evaluate the model on a pilot cohort of real mmWave scans with bioimpedance-derived body fat measurements, supporting the feasibility of estimating VAT and body fat percentage (BFP) from mmWave data acquired through clothing in a standing posture. We find that the model can predict VAT and BFP with a mean absolute error of 1.0 L and 3.2%, respectively, demonstrating the potential of mmWave scanning for routine BCA in a wide range of settings.

This work focuses on the question of learning from a large number of devices with each device holding only a single sample of data. Several real-world applications exist to this one sample per client setup up including learning from fitness trackers, data/app usage aggregators, body-worn sensing devices, and daily event monitors to name a few. When a client has only one sample, the standard federated learning paradigm breaks down as a local update based on that single point is far from being useful, especially in the earlier rounds for estimation of the model coefficients. This utility is further weakened by the privacy-inducing noise applied at every round. This work caters to this problem to enable such clients to collaboratively contribute to effectively learn a global model without leaking the privacy of their data. The proposed approach injects a single, carefully calibrated noisy perturbation to transform the sample at each client, followed by a post-processed representation which is shared with the server. These representations aggregated at the server are processed to obtain an unbiased gradient update that in expectation matches the non-private centralized gradient while preserving data privacy. This approach is different than traditional private federated learning, where the communication payloads involve model coefficients as opposed to privately transformed data samples. This method enables devices with extremely limited data to collaborate and learn accurate, privacy-preserving models without requiring large local datasets or sacrificing individual privacy.

Jailbreak attacks on audio language models (ALMs) optimize audio perturbations to elicit unsafe generations, and they typically update the entire waveform densely throughout optimization. In this work, we investigate the necessity of such dense optimization by analyzing the structure of token-aligned gradients in ALMs. We find that gradient energy is highly non-uniform across audio tokens, indicating that only a small subset of token-aligned audio regions dominates the optimization signal. Motivated by this observation, we propose Token-Aware Gradient Optimization (TAGO), which enables sparse jailbreak optimization by retaining only waveform gradients aligned with audio tokens that have high gradient energy, while masking the remaining gradients at each iteration. Across three ALMs, TAGO outperforms baselines, and substantial sparsification preserves strong attack success rates (e.g. on Qwen3-Omni, $\mathrm{ASR}_{l}$ remains at 86% with a token retention ratio of 0.25, compared to 87% with full token retention). These results demonstrate that dense waveform updates are largely redundant, and we advocate that future audio jailbreak and safety alignment research should further leverage this heterogeneous token-level gradient structure.

Offline Reinforcement Learning from Human Feedback (RLHF) pipelines such as Direct Preference Optimization (DPO) train on a pre-collected preference dataset, which makes them vulnerable to preference poisoning attack. We study label flip attacks against log-linear DPO. We first illustrate that flipping one preference label induces a parameter-independent shift in the DPO gradient. Using this key property, we can then convert the targeted poisoning problem into a structured binary sparse approximation problem. To solve this problem, we develop two attack methods: Binary-Aware Lattice Attack (BAL-A) and Binary Matching Pursuit Attack (BMP-A). BAL-A embeds the binary flip selection problem into a binary-aware lattice and applies Lenstra-Lenstra-Lovász reduction and Babai's nearest plane algorithm; we provide sufficient conditions that enforce binary coefficients and recover the minimum-flip objective. BMP-A adapts binary matching pursuit to our non-normalized gradient dictionary and yields coherence-based recovery guarantees and robustness (impossibility) certificates for $K$-flip budgets. Experiments on synthetic dictionaries and the Stanford Human Preferences dataset validate the theory and highlight how dictionary geometry governs attack success.

Model ensembling is a well-established technique for improving the performance of machine learning models. Conventionally, this involves averaging the output distributions of multiple models and selecting the most probable label. This idea has been naturally extended to large language models (LLMs), yielding improved performance but incurring substantial computational cost. This inefficiency stems from directly applying conventional ensemble implementation to LLMs, which require a separate forward pass for each model to explicitly compute the ensemble distribution. In this paper, we propose the Mixture-model-like Ensemble (ME). By reinterpreting the ensemble as a mixture model, ME stochastically selects a single model at each step to generate the next token, thereby avoiding the need to explicitly compute the full ensemble distribution. ME is mathematically equivalent to sampling from the ensemble distribution, but requires invoking only one model, making it 1.78x-2.68x faster than conventional ensembling. Furthermore, this perspective connects LLM ensembling and token-level routing methods, suggesting that LLM ensembling is a special case of routing methods. Our findings open new avenues for efficient LLM ensembling and motivate further exploration of token-level routing strategies for LLMs. Our code is available at https://github.com/Kamichanw/Mixture-model-like-Ensemble.

Stochastic Gradient Descent (SGD) is a known stochastic iterative method popular for large-scale convex optimization problems due to its simple implementation and scalability. Some objectives, such as those found in complex-valued neural networks, benefit from updates like in SGD and Gradient Descent (GD) with a newly defined ``gradient'' that allows for complex parameters. This complex variant of the SGD/GD methods has already been proposed, but convergence guarantees without analyticity constraints have not yet been provided. We propose a variant of SGD (complex SGD) that allows for complex parameters, and we provide convergence guarantees under assumptions that parallel those from the real setting. Notably, these results extend to GD as well, and with the same set of assumptions, we confirm that some directional bias results extend from the real to the complex setting for kernel regression problems. We provide empirical results demonstrating the efficacy of the complex SGD in kernel regression problems utilizing complex reproducing kernel Hilbert spaces. In particular, we demonstrate we may recover superoscillation functions and Blaschke products from the Fock Space and Hardy Space, respectively, as the optimal functions for a particular choice of a loss function.

We can often verify the correctness of neural network outputs using ground truth labels, but we cannot reliably determine whether the output was produced by normal or anomalous internal mechanisms. Mechanistic anomaly detection (MAD) aims to flag these cases, but existing methods either depend on latent space analysis, which is vulnerable to obfuscation, or are specific to particular architectures and modalities. We reframe MAD as a functional attribution problem: asking to what extent samples from a trusted set can explain the model's output, where attribution failure signals anomalous behavior. We operationalize this using influence functions, measuring functional coupling between test samples and a small reference set via parameter-space sampling. We evaluate across multiple anomaly types and modalities. For backdoors in vision models, our method achieves state-of-the-art detection on BackdoorBench, with an average Defense Effectiveness Rating (DER) of 0.93 across seven attacks and four datasets (next best 0.83). For LLMs, we similarly achieve a significant improvement over baselines for several backdoor types, including on explicitly obfuscated models. Beyond backdoors, our method can detect adversarial and out-of-distribution samples, and distinguishes multiple anomalous mechanisms within a single model. Our results establish functional attribution as an effective, modality-agnostic tool for detecting anomalous behavior in deployed models.

Deep search agents have emerged as a promising paradigm for addressing complex information-seeking tasks, but their training remains challenging due to sparse rewards, weak credit assignment, and limited labeled data. Self-play offers a scalable route to reduce data dependence, but conventional self-play optimizes students only through sparse outcome rewards, leading to low learning efficiency. In this work, we observe that self-play naturally produces a question construction path (QCP) during task generation, an intermediate artifact that captures the reverse solution process. This reveals a new source of privileged information: self-play can provide high-quality privileged information for the self-distillation at low cost and at scale, without relying on human feedback or curated privileged information. Leveraging this insight, we propose Privileged Information Self-Play ($π$-Play), a novel multi-agent self-evolution framework combining self-play and self-distillation. In $π$-Play, an examiner generates tasks together with QCPs, and a teacher employs QCP as privileged context to densely supervise a student via self-distillation. This design transforms sparse-reward self-play into a dense-feedback co-evolution. Extensive experiments show that data-free $π$-Play surpasses fully supervised search agents and improves evolutionary efficiency by 2-3$\times$ over conventional self-play. Code is available at https://github.com/zhyaoch/pi-play.

Designing reward functions for reinforcement learning (RL) in healthcare remains challenging because clinically meaningful outcomes are sparse, delayed, and difficult to explicitly specify. Although structured clinical data capture physiologic states, they often fail to reflect broader aspects of patient trajectories such as treatment response, recovery dynamics, and intervention burden. Clinical narratives, by contrast, encode longitudinal clinician assessments of disease progression, treatment effectiveness, and recovery, providing a potential source of trajectory-level supervision beyond predefined outcome metrics. We propose Clinical Narrative-informed Preference Rewards (CN-PR), a framework that learns reward functions directly from discharge summaries by treating clinical narratives as scalable supervision for trajectory-level preferences. Using a large language model, we derive trajectory quality scores and construct pairwise preferences between patient trajectories to learn rewards through preference-based optimization. To account for variability in narrative informativeness, we incorporate a task relevance signal that weights supervision according to its relevance to the downstream decision-making task. We evaluate CN-PR in dynamic sepsis treatment using offline RL. The learned reward demonstrated strong monotonic alignment with trajectory quality scores and produced policies associated with improved recovery-related outcomes, including increased organ support-free days and faster shock resolution, while maintaining mortality performance comparable to outcome-based reward baselines. These findings were preserved under external validation. Our results suggest that clinical narratives provide a scalable and expressive source of supervision for reward learning in dynamic treatment regimes.

Student dropout is a persistent concern in Learning Analytics, yet comparative studies frequently evaluate predictive models under heterogeneous protocols, prioritizing discrimination over temporal interpretability and calibration. This study introduces a survival-oriented benchmark for temporal dropout risk modelling using the Open University Learning Analytics Dataset (OULAD). Two harmonized arms are compared: a dynamic weekly arm, with models in person-period representation, and a comparable continuous-time arm, with an expanded roster of families -- tree-based survival, parametric, and neural models. The evaluation protocol integrates four analytical layers: predictive performance, ablation, explainability, and calibration. Results are reported within each arm separately, as a single cross-arm ranking is not methodologically warranted. Within the comparable arm, Random Survival Forest leads in discrimination and horizon-specific Brier scores; within the dynamic arm, Poisson Piecewise-Exponential leads narrowly on integrated Brier score within a tight five-family cluster. No-refit bootstrap sampling variability qualifies these positions as directional signals rather than absolute superiority. Ablation and explainability analyses converged, across all families, on a shared finding: the dominant predictive signal was not primarily demographic or structural, but temporal and behavioral. Calibration corroborated this pattern in the better-discriminating models, with the exception of XGBoost AFT, which exhibited systematic bias. These results support the value of a harmonized, multi-dimensional benchmark in Learning Analytics and situate dropout risk as a temporal-behavioral process rather than a function of static background attributes.

To schedule LLM inference, the \textit{shortest job first} (SJF) principle is favorable by prioritizing requests with short output lengths to avoid head-of-line (HOL) blocking. Existing methods usually predict a single output length for each request to facilitate scheduling. We argue that such a \textit{point estimate} does not match the \textit{stochastic} decoding process of LLM inference, where output length is \textit{uncertain} by nature and determined by when the end-of-sequence (EOS) token is sampled. Hence, the output length of each request should be fitted with a distribution rather than a single value. With an in-depth analysis of empirical data and the stochastic decoding process, we observe that output length follows a heavy-tailed distribution and can be fitted with the log-t distribution. On this basis, we propose a simple metric called Tail Inflated Expectation (TIE) to replace the output length in SJF scheduling, which adjusts the expectation of a log-t distribution with its tail probabilities to account for the risk that a request generates long outputs. To evaluate our TIE scheduler, we compare it with three strong baselines, and the results show that TIE reduces the per-token latency by $2.31\times$ for online inference and improves throughput by $1.42\times$ for offline data generation.

Adam is a widely used optimization algorithm in deep learning, yet the specific class of objective functions where it exhibits inherent advantages remains underexplored. Unlike prior studies requiring external schedulers and $β_2$ near 1 for convergence, this work investigates the ``natural'' auto-convergence properties of Adam. We identify a class of highly degenerate polynomials where Adam converges automatically without additional schedulers. Specifically, we derive theoretical conditions for local asymptotic stability on degenerate polynomials and demonstrate strong alignment between theoretical bounds and experimental results. We prove that Adam achieves local linear convergence on these degenerate functions, significantly outperforming the sub-linear convergence of Gradient Descent and Momentum. This acceleration stems from a decoupling mechanism between the second moment $v_t$ and squared gradient $g_t^2$, which exponentially amplifies the effective learning rate. Finally, we characterize Adam's hyperparameter phase diagram, identifying three distinct behavioral regimes: stable convergence, spikes, and SignGD-like oscillation.

Forecasting physiological signals can support proactive monitoring and timely clinical intervention by anticipating critical changes in patient status. In this work, we address multivariate multi-horizon forecasting of physiological time series by jointly predicting heart rate, oxygen saturation, pulse rate, and respiratory rate at forecasting horizons of 15, 30, and 60 seconds. We propose a hybrid quantum-classical architecture that integrates a Variational Quantum Circuit (VQC) within a recurrent neural backbone. A GRU encoder summarizes the historical observation window into a latent representation, which is then projected into quantum angles used to parameterize the VQC. The quantum layer acts as a learnable non-linear feature mixer, modeling cross-variable interactions before the final prediction stage. We evaluate the proposed approach on the BIDMC PPG and Respiration dataset under a Leave-One-Patient-Out protocol. The results show competitive accuracy compared with classical and deep learning baselines, together with greater robustness to noise and missing inputs. These findings suggest that hybrid quantum layers can provide useful inductive biases for physiological time series forecasting in small-cohort clinical settings. The code is available at https://github.com/arco-group/quantum-ml.

The growing scale of deep learning demands distributed training frameworks that jointly reason about parallelism, memory, and network topology. Prior works often rely on heuristic or topology-agnostic search, handling communication and memory separately. Without per-device memory awareness, these methods typically ensure feasibility post hoc by sharding parameters and activations across many devices, increasing synchronization, inflating communication, and underutilizing compute-limiting scalability and efficiency on real datacenter networks. We present NEST, a network-, compute-, and memory-aware device placement framework that unifies model parallelism, topology modeling, and memory feasibility via structured dynamic programming. NEST's DP operates on operator graphs with tensor and expert parallel configurations, explicit allreduce latencies across hierarchical or arbitrary networks, and memory/compute profiles. By factoring parallelism across tensor, pipeline, data, and expert dimensions, NEST defines a principled search space for hybrid strategies while jointly optimizing co-location, network latency, and memory feasibility. Evaluations across diverse hardware and networks show NEST achieves up to 2.43 times higher throughput, better memory efficiency, and improved scalability over state-of-the-art baselines, providing a foundation for co-designing parallelization strategies and datacenter interconnects for next-generation AI infrastructure. The source code of NEST is available at: https://github.com/scai-tech/Nest

Understanding reasoning in large language models is complicated by evaluations that conflate multiple reasoning types. We isolate analogical reasoning, where a model transfers an attribute between entities that share known properties, and study when such transfer can emerge from training. To make the problem analytically tractable, we study a minimal transformer-style abstraction that isolates how learned representations support analogical reasoning. Within this setting, we prove three key results. First, joint training on similarity and attribution premises enables analogical reasoning through aligned representations. Second, sequential training succeeds only when similarity structure is learned before specific attributes, revealing a curriculum asymmetry. Third, in our stylized setting, two-hop reasoning $(a \to b, b \to c \Rightarrow a \to c)$ can be viewed as analogical reasoning with identity bridges $(b=b)$, which appear explicitly in training data. Together, these results reveal a unified mechanism: entities with shared properties become aligned in representation space, enabling property transfer through feature resemblance. Experiments with architectures up to 8B parameters show qualitative agreement with the theory and suggest that representational geometry plays an important role in analogical reasoning beyond the stylized model.

MultiPUFFIN is a domain-informed multimodal foundation model for predicting thermophysical properties of small molecules, addressing a critical gap in chemical engineering, drug discovery, and materials science. Existing molecular foundation models pretrain on millions of molecules to learn general-purpose representations, but their standard MLP output layers impose no physical constraints, vapor pressure predictions may violate monotonic temperature dependence, and viscosity curves may lack the functional form required by process simulators. Domain-informed approaches that guarantee thermodynamic consistency have remained limited to single properties and small datasets, whereas multimodal foundation models have focused on biological activity rather than thermophysical properties. MultiPUFFIN fills this gap by fusing SMILES sequences, 2D molecular graphs, and 3D conformer geometries through bidirectional cross-modal attention and gated fusion, supplemented by auxiliary encoders for experimental conditions and molecular descriptors. The backbone is pretrained on 500,000 unlabelled PubChem molecules using three complementary self-supervised objectives. A condition-aware refinement stack of five conditioners (temperature, pH, pressure, polymorph, and measurement method) routes each property to a four-head tournament that selects the best-performing thermodynamically informed head for that property. MultiPUFFIN achieves a mean test R2 of 0.784 and outperforms fine-tuned ChemBERTa-2 on all nine properties despite training on roughly 2,000x fewer labeled molecules.

Embodied LLMs endow robots with high-level task reasoning, but they cannot reflect on what went wrong or why, turning deployment into a sequence of independent trials where mistakes repeat rather than accumulate into experience. Drawing upon human reflective practitioners, we introduce Reflective Test-Time Planning, which integrates two modes of reflection: \textit{reflection-in-action}, where the agent uses test-time scaling to generate and score multiple candidate actions using internal reflections before execution; and \textit{reflection-on-action}, which uses test-time training to update both its internal reflection model and its action policy based on external reflections after execution. We also include retrospective reflection, allowing the agent to re-evaluate earlier decisions and perform model updates with hindsight for proper long-horizon credit assignment. Experiments on our newly-designed Long-Horizon Household benchmark and MuJoCo Cupboard Fitting benchmark show significant gains over baseline models, with zero-shot generalization to photorealistic HM3D environments and real-robot experiments on a Franka Panda arm. Ablations confirm that reflection-in-action and reflection-on-action are mutually dependent, and that retrospective reflection achieves better credit assignment than step-wise external feedback at lower computational overhead. Qualitative analyses further highlight behavioral correction through reflection.

Crystal modeling spans a family of conditional and unconditional generation tasks, including crystal structure prediction (CSP) and de novo generation (DNG). While recent deep generative models have shown promising performance, they remain largely task-specific, lacking a unified framework that shares crystal representations across tasks. To address this limitation, we propose Multimodal Crystal Flow (MCFlow), a unified multimodal flow model that realizes multiple crystal generation tasks as distinct inference trajectories via independent time variables for atom types and crystal structures. To enable multimodal flow in a standard transformer model, we introduce a composition- and symmetry-aware atom ordering with hierarchical permutation augmentation, injecting compositional and crystallographic priors without explicit structural templates. Experiments on the MP-20 and MPTS-52 benchmarks show that a single MCFlow model is competitive with task-specific baselines across CSP, DNG, and structure-conditioned atom type generation.

Reward modeling is central to alignment pipelines such as RLHF, RLAIF, and PPO-based policy optimization, yet its reliability is constrained by limited and heterogeneous human preference data that are expensive to collect at scale. While synthetic augmentation can expand preference supervision, existing methods often augment uniformly or at the representation level, without targeting examples where the reward model is uncertain or prone to mis-ranking. In this paper, we introduce MARS (Margin and Semantic-Aware Data Augmentation for Reward Modeling), an adaptive augmentation framework that prioritizes low-margin preference pairs and uses semantic distance as a second layer for refinement to enhance the contrast between the chosen and rejected responses. Across multiple preference datasets, reward-model backbones, downstream alignment settings, and benchmarks including RewardBench and AlpacaEval, MARS improves both reward-model quality and alignment performance over existing baselines. Our results show that reward-model augmentation is most effective when guided by both model margins and semantic structure.

Backtesting LLMs on resolved events assumes models reason only from pre-cutoff knowledge, yet pretrained models inevitably leak post-cutoff knowledge. We introduce a claim-level evaluation framework that decomposes prediction rationales into atomic claims and applies Shapley values to quantify each claim's decision impact, yielding \textbf{Shapley-DCLR} (\textbf{Shapley}-weighted \textbf{D}ecision-\textbf{C}ritical \textbf{L}eakage \textbf{R}ate) -- an interpretable metric measuring what fraction of decision-driving reasoning is contaminated. We further propose \textbf{TimeSPEC} (\textbf{Time}-\textbf{S}upervised \textbf{P}rediction with \textbf{E}xtracted \textbf{C}laims), an inference-time architecture that interleaves temporally-filtered retrieval with claim-level supervision, producing predictions grounded entirely in pre-cutoff evidence. Across three LLMs, the ablation experiments confirm retrieval and supervision are jointly necessary; and a three-task probe further illstrates that the performance cost of temporal enforcement scales with each task's reliance on post-cutoff information.

Learning latent actions from action-free video has emerged as a powerful paradigm for scaling up controllable world model learning. Latent actions provide a natural interface for users to iteratively generate and manipulate videos. However, most existing approaches rely on monolithic inverse and forward dynamics models that learn a single latent action to control the entire scene, and therefore struggle in complex environments where multiple entities act simultaneously. This paper introduces Factored Latent Action Model (FLAM), a factored dynamics framework that decomposes the scene into independent factors, each inferring its own latent action and predicting its own next-step factor value. This factorized structure enables more accurate modeling of complex multi-entity dynamics and improves video generation quality in action-free video settings compared to monolithic models. Based on experiments on both simulation and real-world multi-entity datasets, we find that FLAM outperforms prior work in prediction accuracy and representation quality, and facilitates downstream policy learning, demonstrating the benefits of factorized latent action models.

Self-attention in Transformers relies on globally normalized softmax weights, causing all tokens to compete for influence at every layer. When composed across depth, this interaction pattern induces strong synchronization dynamics that favor convergence toward a dominant mode, a behavior associated with representation collapse and attention sink phenomena. We introduce Krause Attention, a principled attention mechanism inspired by bounded-confidence consensus dynamics. Krause Attention replaces similarity-based global aggregation with distance-based, localized, and selectively sparse interactions, promoting structured local synchronization instead of global mixing. We relate this behavior to recent theory modeling Transformer dynamics as interacting particle systems, and show how bounded-confidence interactions naturally moderate attention concentration and alleviate attention sinks. Restricting interactions to local neighborhoods also reduces runtime complexity from quadratic to linear in sequence length. Empirically, we validate Krause Attention across diverse settings, including vision (ViT on CIFAR/ImageNet), autoregressive image generation (MNIST/CIFAR-10), large language models (Llama/Qwen), and language models trained from scratch at multiple scales (100M/200M). Across these domains, Krause Attention achieves consistent performance gains while improving computational efficiency, highlighting bounded-confidence dynamics as a scalable and effective inductive bias for attention.

Strategic classification studies the problem where self-interested individuals or agents manipulate their response to obtain favorable decision outcomes made by classifiers, typically turning to dishonest actions when they are less costly than genuine efforts. While existing studies on sequential strategic classification primarily focus on optimizing dynamic classifier weights, we depart from these weight-centric approaches by analyzing the design of classifier thresholds and difficulty progression within a multi-level promotion-relegation framework. Our model captures the critical inter-temporal incentives driven by an agent's farsightedness, skill retention, and a leg-up effect where qualification and attainment can be self-reinforcing. We characterize the agent's optimal long-term strategy and demonstrate that a principal can design a sequence of thresholds to effectively incentivize honest effort. Crucially, we prove that under mild conditions, this mechanism enables agents to reach arbitrarily high levels solely through genuine improvement efforts.