Robot manipulation critically depends on perception that preserves the action-relevant aspects of a scene. Yet most robot learning pipelines are built upon visual encoders pre-trained for static recognition or vision-language alignment, leaving motion understanding to downstream policies. We introduce DynaFLIP, a dynamics-aware multimodal pre-training framework that pushes motion understanding upstream into perception. We construct image-language-3D flow triplets from heterogeneous human and robot videos, and use these triplets as training-time supervision to shape an image-only encoder. Our key idea is to encourage the three modalities to span a small simplex volume in the shared hyperspherical space -- a smaller simplex volume indicating stronger alignment. To avoid the geometric ambiguity and trivial collapse of naive volume minimization, we combine simplex-volume minimization with a cosine regularizer and a contrastive objective. Our analyses show that DynaFLIP focuses on control-relevant regions critical for manipulation. The resulting dynamics-aware representations serve as reusable visual backbones and consistently outperform baselines across diverse downstream policies, including VLAs. We validate this across diverse simulation and real-world setups, with gains reaching +22.5% under out-of-distribution scenarios. Our results suggest that robot generalization improves when visual representations are trained to encode not just what is present, but how the world changes under action.

The pretraining data mixture of Large Language Models (LLMs) constitutes their "digital DNA", shaping model behaviors, capabilities, and failure modes. Yet this composition is rarely disclosed, making post-hoc auditing of data combination or provenance difficult. In this work, we formalize $\textbf{Data Mixture Surgery (DMS)}$: given only generated text from a target LLM, estimate the domain-level distribution of its pretraining corpus under a predefined taxonomy. We propose $\textbf{LLMSurgeon}$, a strong framework that casts DMS as an inverse problem under the label-shift assumption. Rather than directly aggregating classifier outputs, LLMSurgeon estimates a calibrated $\textit{soft}$ confusion matrix and solves a constrained inverse problem to correct systematic domain confusion and recover the latent mixture prior. To evaluate, we introduce $\textbf{LLMScan}$, a recipe-verifiable evaluation suite built from open-source LLMs with transparent pretraining mixtures. Across LLMScan, LLMSurgeon recovers domain mixtures with high fidelity under fixed protocols. Our work presents a practical, post-hoc approach for auditing the digital DNA of foundation models without access to their training data.

Printed circuit board (PCB) schematic design defines nearly all electronic hardware, but it remains manual and expertise-intensive. While generative AI has advanced digital and analog IC design, PCB schematic generation from natural-language intent is largely unexplored. This paper presents SchGen, the first large language model that generates editable PCB schematics from natural-language requests. The key challenge lies in the lack of an LLM-suited representation and a large-scale dataset. Current schematic formats are dominated by verbose, tool-specific syntax and geometry-heavy descriptions, making them difficult to generate reliably. We introduce a semantically grounded code representation that encodes schematic editing primitives with relative placement and pin-name-based wiring, transforming a geometry-driven generation problem into a semantics-driven matching task amenable to LLMs. We further construct a large-scale dataset of PCB schematics paired with user prompts via a human-agent collaborative pipeline that converts open-source hardware designs into our representation. Experiments show that SchGen significantly outperforms alternative representations and even larger general-purpose LLMs on wire connectivity accuracy and functional correctness. Our results highlight the critical role of representation design in enabling generative models for complex hardware design tasks.

Test-time finetuning (TTFT) is a rapidly evolving paradigm that adapts a language model to each prompt by retrieving related sequences, updating the model on them, and then evaluating the prompt. However, TTFT is only practical if it is fast: selection and finetuning both happen per query, making each a direct bottleneck. Existing methods trade speed for quality: fast retrieval is often redundant, while stronger diversity-aware selection adds prohibitive per-query cost. We introduce HullFT, a geometric approach to TTFT that addresses both bottlenecks. Given a query, HullFT first represents the query embedding as a sparse convex combination of few training sequences, using efficient projection-free Frank-Wolfe optimization. This yields a support set that is inherently relevant and diverse. We then convert the fractional convex weights into an exact integer multiset for finetuning through a geometric integerization procedure. The resulting multiplicities naturally create repeated examples, which we exploit with Gradient Reuse to amortize forward-backward computation across repeated finetuning steps. Our experiments show that HullFT improves the quality-efficiency tradeoff over current state-of-the-art TTFT methods, achieving lower bits-per-byte at substantially lower total runtime.

Federated learning is an emerging distributed paradigm that addresses the challenges posed by heterogeneous, privacy-sensitive data. It enables multiple clients to train a model collaboratively by aggregating their local updates at a server. However, conventional aggregation schemes typically use fixed weights that fail to reflect unequal and time-varying client contributions, leading to biased and unstable learning. To improve fairness and stability, we propose the Trajectory Shapley Value (TSV), a contribution metric that evaluates how each client influences the optimization trajectory of the global model using a validation-based, temporally consistent utility. Building on TSV, we design FedTSV, an adaptive aggregation method that converts per-round evaluations into dynamic client weights, allowing the server to respond to heterogeneous and adversarial participation in real time. Experiments on benchmark datasets show that FedTSV accelerates convergence, improves robustness, and yields more equitable contribution assessments, thereby providing a principled foundation for fairness-aware federated optimization.

Diffusion models have excellent capacity to model complex distributions of natural data, which has made them a popular and effective choice for posterior sampling in imaging inverse problems. Existing methods can incorporate any measurement model at inference time but must use an inexact approximation for the likelihood at intermediate timesteps for computational tractability. Although these approximations can often work well empirically, their downstream effect on the sampled posterior is poorly understood and can result in unexplained failures. To understand when, why, and how these likelihood approximations propagate to erroneous posterior distributions, we introduce a finite-sample perspective on posterior sampling that approximates the posterior to arbitrary precision as training set size tends towards infinity, for any forward model and prior distribution. Using this finite-sample lens, we observe that popular posterior sampling approximations tend to under- or over-estimate the spread of the posterior at intermediate timesteps, causing downstream consequences including sensitivity to early stopping time, inaccurate relative weighting of posterior modes, and hallucination, both of prior modes that are not in the posterior and likelihood modes that are not supported by the prior. Moreover, we find that the cause of these posterior errors requires neither a nonlinear measurement model nor a multimodal posterior, but can arise solely due to a multimodal prior and inaccurate posterior spread at intermediate sampling times. Our finite-sample posterior sampling approach is agnostic to the type of likelihood approximation and the type of (linear or nonlinear) forward model, and can thus serve as a drop-in diagnostic to evaluate the accuracy and failure modes of existing and future posterior samplers.

Autonomous AI research agents aim to accelerate scientific discovery by automating the research pipeline, from hypothesis generation to peer review. However, existing benchmarks rarely test a fundamental bottleneck: whether Large Language Models can judge the methodological viability of a research idea before expending time and computational resources. We introduce SoundnessBench, a curated benchmark of 1,099 machine-learning research proposals reconstructed from ICLR submissions, labeled with reviewer soundness sub-scores, and audited against source papers. SoundnessBench should be interpreted as a benchmark for recoverable proposal-stage soundness rather than exact prediction of full-paper review outcomes. Across 12 frontier LLMs, we find a pervasive optimism bias: under standard prompting, models frequently rate low-soundness proposals as sound, while aggressive prompting largely shifts errors from false positives to false negatives. Additional controls for public-corpus contamination, paper-identifying phrases, surface features, and human audit quality suggest that this behavior is not explained by a single confounder. Our results indicate that current LLMs are not yet reliable as standalone first-gate evaluators for scientific rigor.

Frontier reasoning models are produced by posttraining base language models with reinforcement learning. Recent work has challenged this by showing that sampling from a sharpened version of the base model's distribution, a so-called power distribution, elicits comparable reasoning without additional training, curated datasets, or verifiers. However, making this method practical requires efficiently sampling from the power distribution. A sampler needs to "mix" to the power distribution, which necessitates moving between modes of the target distribution; intuitively, e.g., trying different reasoning strategies. The samplers proposed in prior works repeatedly select a "cut" position in the current reasoning trace uniformly at random and resample the suffix from that position onward. However, reasoning traces typically contain a few consequential decisions (e.g., the choice of proof strategy or algorithm), and we observe that a uniformly chosen cut tends to rewrite local details rather than revisit decision points. We introduce an algorithm (Entropy-Cut Metropolis-Hastings) that uses the base model's next-token entropy as a proxy to identify key decision points and resample from those positions. We empirically verify that entropy jumps are a useful proxy for decision points and, in a stylized model of reasoning, prove that our method's mixing time scales with the number of decisions in a trace rather than with the number of tokens, which can be much larger. Across MATH500, HumanEval, GPQA Diamond, and AIME26, our method consistently improves over baselines and RL-trained models.

We study language generation in the limit under bounded memory. In this task, a learner observes examples from an unknown target language one at a time and must eventually output only new valid examples. Prior work assumes access to the entire history, a strong assumption since realistic algorithms retain limited past information. Classical work in learning theory shows memory constraints dramatically alter learnability; we extend this to language generation. First, we study memoryless generators. Under a mild enumeration restriction, every countable collection of infinite languages remains generable without memory. Without this restriction, we exactly characterize when memoryless generation is possible. For finite collections, we characterize the optimal minimax density achievable by memoryless generators -- the best density guaranteed against any collection of a given size. This combinatorial bound relies on Sperner's theorem and symmetric chain decompositions. We further show that a sliding window of the last $W$ examples does not improve this worst-case density, whereas allowing it to store $b$ adaptively chosen past examples improves the achievable density for every $b \geq 1$. Finally, we revisit identification in the limit, where the learner must converge to a single correct hypothesis for the target language. We focus on its incremental variant, where the learner remembers only its previous guess. Here, although exact identification fails on a collection of just three languages, a mild relaxation requiring convergence to an ``approximate'' version of the target is achievable for every finite collection. These results show bounded memory affects these tasks differently: generation remains achievable for every countable collection, while density and identification are confined to finite collections, with guarantees weakening as the collection grows.

Reinforcement Learning from Human Feedback (RLHF) typically relies on static reward models to align Large Language Models with human preferences. However, human values are inherently diverse and heterogeneous, and a single reward model often lacks the robustness required to generalize to unseen preference domains. While existing multi-reward frameworks attempt to address this, they are often restricted to a fixed set of known domains and fail to adapt to unseen human distributions without costly retraining. In this work, we propose In-Context Reward Adaptation, a transformer-based framework designed to model diverse and unseen human preferences on the fly. By leveraging the in-context learning capabilities of transformers, our approach adaptively infers the underlying reward structure from a small set of preference demonstrations. We demonstrate that while a standard transformer architecture is insufficient for this task by characterizing an asymptotic bias to the ground-truth, incorporating human response time as an auxiliary input signal enables the model to successfully adapt to preferences from previously unseen domains. Our findings show that this approach provides a more robust foundation for preference modeling, allowing for the representation of heterogeneous rewards and preference distribution shift, and offering a scalable path toward more flexible human-AI alignment.

We introduce Gram, an automated alignment auditing framework to assess the propensity of AI agents to engage in sabotage. We evaluate Gemini models across 17 simulated agentic deployment scenarios that incentivize sabotage. We find Gemini models misbehave in about 2-3% of our simulated trajectories. Many of these cases are explained by "overeagerness" in Gemini models resulting in both excessive role-playing and goal-seeking behavior. In contrast to other alignment auditing approaches, Gram is designed to specifically evaluate misalignment and intentional sabotage in agentic coding and research agents. We additionally introduce an experimental investigator agent pipeline which enables fine-grained targeted experiments to identify the drivers of misbehavior. We find that increasing realism of environments and removing nudges to misbehave tends to reduce sabotage rates close to zero.

A central goal of modern causal inference is estimating heterogeneous treatment effects to answer questions like "how does an intervention affect each unit," rather than only on average. We study this problem with panel-data where we observe $n$ units across $m$ times under unknown, non-uniform treatment assignments. The data in this setting is naturally represented as a matrix of all unit--time treatment effects. Estimating heterogeneous treatment effects can then be expressed as obtaining a good estimation of each row's average in this matrix. This allows us to formulate the problem as matrix completion, which can be solved under natural low-rankness assumptions. However, existing matrix-completion guarantees are not powerful enough to get meaningful bounds for the per-row guarantee required for estimating the heterogeneous treatment effect; roughly speaking, they are only useful for estimating average treatment effect bounds, as also illustrated in a recent line of work. We give a simple, computationally efficient estimator that, without knowledge of the propensities and under standard low-rankness and regularity assumptions, achieves a row-wise $\ell_2$ error of $\tilde{O}(\sqrt{\frac{1}{n} + \frac{n}{m^2}})$. Technically, our analysis establishes the first sharp row-wise $\ell_2$-perturbation bound for low-rank approximation, complementing existing spectral-, Frobenius-, and entrywise perturbation theory.

Across two public LLM leaderboards, many displayed pairwise rankings do not meet a conventional paired-test resolution target under the actual paired evaluation design: 11 of 40 Open LLM Leaderboard v1 pairwise comparisons and 4 of 9 MMLU-Pro top-10 adjacent-rank pairs are unresolved at (alpha, 1-beta) = (0.05, 0.8). The MMLU-Pro count rises to 6/9 under real subject-level clustering and stays at 5-6 out of 9 in 99.9% of category-bootstrap resamples. We frame paired LLM evaluation as a hypothesis-testing problem, invert level-alpha, power-(1-beta) tests, and report a per-pair resolution ratio q = N/N* as the primary diagnostic. A sharp small-effect expansion with an explicit second-order constant shows that the widely-used unpaired Cohen-h-plus-(1-rho) shortcut deviates from the correct N* by approximately a factor of two in the close-comparison regime, a deficit that three of five off-the-shelf calculators(Cohen 1988, G*Power, R pwr) silently inherit when the user post-multiplies their per-arm output by (1-rho). The unresolved-pair pattern remains under multiplicity correction and anytime-valid sequential testing.

Low-dimensional embeddings are widely used as visual summaries of high-dimensional data and to enable downstream scientific discoveries. Yet, popular nonlinear dimension reduction methods, such as t-SNE and UMAP, are often selected based on visual appeal alone and without rigorous quantitative validation. A major reason is that manifold embeddings typically do not provide an out-of-sample map nor an inverse back to the original feature space; this makes held-out validation, the gold standard in supervised learning, all but impossible. To address these challenges, we develop a novel framework, MEDAL (Manifold Embedding Distillation via Autoencoder Learning), which distills a fitted manifold embedding into a reusable encoder--decoder model. MEDAL trains a constrained autoencoder whose bottleneck exactly matches any teacher embedding while the decoder reconstructs the original input; this yields an explicit map for new samples, an approximate inverse, and a pointwise reconstruction-based measure of distortion in the manifold space. This converts static manifold embeddings into models that can be evaluated on held-out data, enabling quantitative validation including comparing different dimension reduction methods as well as hyperparameter tuning. Across multiple benchmark and scientific case studies, we show that MEDAL enables held-out validation to determine optimal manifold embeddings and hyperparameters, reveals biologically coherent regions that are difficult to preserve in two dimensional embeddings, and detects distribution shift when new samples are mapped into a fixed reference manifold. MEDAL provides a general validation wrapper to any existing dimension reduction technique that will improve the rigor and reliability of dimension reduction in scientific workflows.

In recent years, diffusion-based models have demonstrated exceptional performance in searching for simultaneously stable, unique, and novel (S.U.N.) crystalline materials. However, most of these models don't have the ability to change the number of atoms in the crystal during the generation process, which limits the variability of model sampling trajectories. In this paper, we demonstrate the severity of this restriction and introduce a simple yet powerful technique, mirage infusion, which enables diffusion models to change the state of the atoms that make up the crystal from existent to non-existent (mirage) and vice versa. We show that this technique improves model quality by up to x2.5 compared to the same model without this modification. The resulting model, Mirage Atom Diffusion (MiAD), is an equivariant joint diffusion model for de novo crystal generation that is capable of altering the number of atoms during the generation process. MiAD achieves an 8.2% S.U.N. rate on the MP-20 dataset, which substantially exceeds existing state-of-the-art approaches. Code: https://github.com/andrey-okhotin/miad.git

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated by using permutation-equivariant learning architectures. Despite their computational efficiency, existing graph diffusion models struggle to distinguish certain graph families and their spectra, unless graph data are augmented with ad hoc features. This shortcoming stems from enforcing the inductive bias within the learning architecture. In this work, we leverage random matrix theory to analytically extract the spectral properties of the diffusion process, allowing us to push most of the inductive bias from the architecture into the dynamics. Building on this, we introduce the Dyson Diffusion Model, which employs Dyson's Brownian motion to capture the spectral dynamics of an Ornstein-Uhlenbeck process on the adjacency matrix. Furthermore, conditioned on the spectral dynamics, we formulate a Lie group diffusion, appropriately modeling the remaining degrees of freedom. Strikingly, the resulting learning problem becomes permutation invariant at the Lie algebra level. We demonstrate that the Dyson Diffusion Model learns graph spectra accurately and outperforms existing graph diffusion models.

Numeric tabular datasets are the dominant data format in scientific practice, yet large language models lack native mechanisms for representing numeric datasets in a meaningful way across heterogeneous feature spaces. Existing approaches either target predictive modeling over individual datasets, which requires a shared set of variable definitions, or lack mechanisms for interpretable cross-dataset alignment. The proposed methodology characterizes numeric tabular datasets through structured exploratory data analysis descriptors, embeds those descriptors into a shared vector space using a pretrained sentence transformer, and quantifies cross-dataset similarity via Canonical Correlation Analysis (CCA). Furthermore, a penalized formulation of CCA is applied to recover sparse, interpretable variable-level correspondences between datasets, identifying which statistical descriptors or variable-level quantities drive cross-dataset alignment without requiring shared variable names or feature conventions. Differential privacy is optionally applied to the descriptor set prior to embedding, supporting deployment in sensitive data contexts without requiring access to raw observations at time of comparison. The methodology is evaluated across 15 datasets spanning general-purpose benchmarks, materials informatics, and nuclear-grade graphite characterization. Results demonstrate a total P@1 score of 0.9, with known nearest-neighbor retrieval and cluster structure remaining robust across embedding ablations and differential privacy budgets. The proposed framework provides a principled pathway for integrating heterogeneous numeric data into retrieval-augmented generation pipelines while preserving statistical context, with direct applications to data-driven algorithm selection and simulation model initialization for unknown datasets.

Real-time thermal-hydraulic simulation is essential for digital twin (DT) technology that supports the safe and efficient operation of small modular reactors (SMRs). Computational fluid dynamics (CFD) provides high-fidelity flow analysis, but its computational cost prevents direct use in DT applications. AI-based surrogate modeling has been actively investigated to address this limitation, yet neural operator--based surrogates for CFD-level transient analysis of SMR-specific geometries have not been reported. This study presents an integrated framework that combines a reduced-order model (ROM) with neural operators, applied to the helical coil steam generator (HCSG) of the System-integrated Modular Advanced Reactor (SMART). Two ROM strategies tailored to each CFD data type were compared, an MLP-based autoencoder (AE) for unstructured mesh data and a convolutional autoencoder (CAE) for structured mesh data, and each was coupled with the deep operator network (DeepONet) to construct the latent DeepONet (L-DeepONet). The Fourier neural operator (FNO) was additionally adopted for comparison. A multi-scale technique was incorporated into both frameworks to mitigate spectral bias and improve the prediction of Kármán vortex streets developing inside the HCSG. The multi-scale L-DeepONet captured the instantaneous periodic vortex dynamics in both velocity and pressure fields, while the FNO and its multi-scale variant predicted the time-averaged mean flow and provided reliable pressure drop estimates. These complementary characteristics provide a practical model-selection guideline that links each architecture to specific DT objectives based on CFD data type and the required level of flow resolution.

Earlier detection of pancreatic cancer is key to enabling wider access to curative treatment and reducing cancer deaths; however, screening is presently not viable. Latent indicators of pathology are evident in an individual's disease and blood test trajectories and may predict the development of pancreatic cancer. Longitudinal sequences of coded diagnoses and blood test values accrued by patients throughout their clinical interactions were used to train a custom Transformer-based neural network with a multi-head attention mechanism to predict risk of pancreatic cancer with a multi-year lead time and risk-stratify populations for targeted screening. The cohort comprised 6,017 adults with pancreatic cancer and 177,081 controls (overall median age 75, 45% female) with median 12 years (interquartile range 6.9-16.2) of medical history prior to pancreatic cancer diagnosis. External validation via leave-one-site-out, out-of-sample testing predicting pancreatic cancer 1-, 2-, and 3-years prior to diagnosis demonstrated mean area under the receiver operating characteristic of 0.837 (95% confidence interval 0.827-0.848), 0.797 (95% confidence interval 0.782-0.813), and 0.760 (95% confidence interval 0.745-0.776), respectively. Estimated pancreatic cancer risks were well-calibrated (calibration plot slope 1.08, intercept of -0.077; Brier score 0.025), and a Bayesian population pancreatic cancer prevalence update allows estimated cancer risk outputs to be transportable across settings. At testing, a screening threshold of >3.3% risk of pancreatic cancer in 1-year offered a diagnostic odds ratio of 18.2. Our work therefore lays the foundation for a first population-level digital enrichment tool to widen access to curative-intent management of pancreatic cancer.

Large Language Models (LLMs) must continuously learn and update knowledge to remain effective in dynamic real-world environments. While Low-Rank Adaptation (LoRA) is widely used for such memory updates, existing studies mainly rely on qualitative downstream evaluations, leaving the quantitative capacity limits and underlying dynamics of exact parametric memory largely unexplored. To bridge this gap, we employ LoRA as a controlled memory capacity probe within the latent space to systematically quantify exact parametric memory. We introduce the Parametric Memory Law, a robust power law linking loss reduction Delta L to effective parameters and sequence length. At the token level, fine-grained analysis reveals a deterministic phase transition, demonstrating that a prediction probability of p > 0.5 constitutes a sufficient condition for verbatim recall under greedy decoding. Driven by these insights, we introduce MemFT, a threshold-guided optimization strategy that dynamically redistributes the training budget toward sub-threshold tokens. Empirical evaluations demonstrate that MemFT can enhance memory fidelity and efficiency. Code will be released at https://github.com/zjunlp/ParametricMemoryLaw.

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes, causing drug synergy data to exhibit out-of-distribution (O.O.D.) shifts with respect to topological structure. Existing works rely on in-distribution (I.D.) assumption, failing to handle the O.O.D. shifts. To solve this problem, we study out-of-distribution generalized drug synergy prediction through a graph large language model for the first time. Nevertheless, O.O.D. generalized DSP is highly non-trivial, posing several challenges: i) how to discover structurally relevant and irrelevant molecular representations with respect to cell targets; ii) how to find the optimal graph neural architectures that accurately calculate molecular representations; and iii) how to jointly leverage molecular structural and semantic information in LLMs. To address these challenges, we propose OOD-GraphLLM, a novel graphLLM framework which is able to accurately predict drug synergy under O.O.D. settings via jointly optimizing molecular graph representation and biomedical semantic language representations in a unified manner. Furthermore, we finetune DrugSyn-LLM, a biomedical LLM, and employ a retrieval-augmented biomedical instruction tuning strategy to align molecular topological information and molecular semantic information with language-based reasoning for O.O.D. generalized DSP. Both the source code (https://github.com/EkkoXiao/Bio-GraphLLM) and released model (https://mn.cs.tsinghua.edu.cn/bio-graphllm/) are publicly available, where users are allowed to download model resources and interactively use the system through a web interface.

How does reinforcement learning shape a language model's internal representations? We present evidence that RL recruits a pre-existing representation of functional welfare: an estimate of how well or badly the system is doing, relative to its goals. We train several language models in a novel, semantically neutral maze environment. We then extract concept vectors for rewarded and punished trajectories, and evaluate those vectors in settings unrelated to the maze environment. The punishment vector behaves like a representation of negative welfare: it promotes failure and impossibility tokens, it aligns with negative emotion concepts, it negatively tracks goal-achievement, and steering with it induces negative self-reports, pathological backtracking, refusal, and uncertainty. The positive reward vector behaves as the mirror image, and the two are nearly antiparallel. These effects are robust when controlling for tile-to-reward mapping, scale, instruct tuning, RL training algorithm, model family, and LoRA versus full-finetuning, and largely persist when we replace RL with supervised fine-tuning. Importantly, the vectors are effective in models before they have undergone maze training. Combined with observations that the effects also appear in pretrain-only models, we therefore argue that this functional welfare axis pre-exists post-training: it is recruited, rather than created, by post-training. While we make no claims about any experience of welfare, the axis offers a demonstration that minimal reward signals can broadly affect model behavior by recruiting pre-existing welfare-like representations, with implications for interpretability, post-training dynamics, and alignment.

We use a mean-field-based transformer model to theoretically investigate how auxiliary variables, such as positional encoding, prevent mode collapse of self-attention mechanisms. The use of mean-field transformers to analyze the properties of self-attention mechanisms has garnered significant attention in recent years due to their ability to comprehensively analyze token interactions. However, analysis of this simple model suggests that mode collapse, where token distributions degenerate to a single point, occurs during long inferences (i.e., many layers), indicating a discrepancy with reality. This study investigates this mean-field transformer model and demonstrates that the introduction of auxiliary variables, such as positional encoding, acts as a counterforce against theoretical mode collapse. Specifically, we show that in the theoretical scheme, the energy-maximizing distribution does not degenerate to a single point; instead, it is characterized by a pushforward of the auxiliary variable distribution, thereby avoiding concentration in the Dirac measure. Our main examples are the positional encoding and the fixed prompt insertion treated as a parallel auxiliary-variable mechanism. Furthermore, we demonstrate that positional encoding and prompt insertion possess universality of representation in the limit, meaning that the limit distribution of inference can exactly represent a wide class of distributions. We also analyze several key properties of positional encoding and metastability, and validate our theoretical results through mathematical experiments.

We introduce TriSearch, a reinforcement learning framework for optimizing objectives over triangulations of a polytope via bistellar flips. The key idea is a circuit-supported subtriangulation action representation: feasible flips are encoded by their supporting circuit and realized local subtriangulation, enabling a learned policy to rank them using local geometric and combinatorial features. This yields a dimension-agnostic interface and enables efficient traversal of the flip graph without explicit enumeration of the full triangulation space. Instantiated in 3D and 4D, TriSearch generalizes zero-shot from small training instances to larger polytopes with exponentially larger search spaces. It achieves top performance on metric objectives in 3D and, in 4D, discovers more distinct Fine, Regular, Star triangulations of reflexive polytopes, corresponding to Calabi-Yau threefolds, than existing samplers under a fixed budget.

Long-horizon interactions require language models to manage accumulating information: when to update their state, when to preserve their state, and what to ignore. We study this challenge as \textbf{Contextual Belief Management (CBM)}: maintaining a predicted belief state aligned with formal evidence while isolating task-irrelevant noise. To make CBM measurable, we introduce BeliefTrack, a closed-world benchmark spanning Rule Discovery and Circuit Diagnosis, where a finite belief space and symbolic verifiers enable exact turn-level evaluation. BeliefTrack diagnoses three failures: Failed Stay, Failed Update, and Failed Isolation. Across multiple LLMs, vanilla models exhibit severe CBM failures, while explicit belief-tracking prompts provide limited gains. In contrast, reinforcement learning with belief-state rewards reduces failure rates by 70.9\% on average. Further probing reveals latent belief-state dynamics behind these failures, and representation-level steering reduces failure rates by 46.1\% across two tasks\footnote{Code is coming soon at https://github.com/zjunlp/CBM.

Temperature-zero BF16 LLM inference is often treated as reproducible, yet the same request can emit different tokens when decoded alone or inside a larger batch. Existing fixes use batch-invariant operators or LLM-42's per-token verification, incurring cost even when most steps are stable. We ask whether verification can be applied exclusively to flipped tokens. Across five models, batch-induced token flips are sparse on the flip-rate benchmarks: on MATH500, Llama-3.1-8B flips on $0.48\%$ of synchronous decode steps, and all tested models stay within the 0.3-1.3% range on MATH500, GSM8K, and HumanEval. K/V perturbations remain flat before flips, while low top-1/top-2 logit margins expose much of the flip risk. MarginGate turns these observations into a verifier policy: it keeps BF16 decoding on high-margin steps, verifies only low-margin steps, and repairs confirmed mismatches by replacing the current K/V column. We evaluate on four datasets, calibrating on MATH500 and transferring to GSM8K, SharedGPT, and HumanEval. MarginGate restores 100% sequence-level deterministic decoding on Llama-3.1-8B and Qwen2.5-14B with 18.56%/15.05% verifier trigger rates, reducing LLM-42's latency increment by 2.23x/1.99x relative to always-on verification. On DSR1-Distill-Qwen-7B, the same policy reaches determinism in a harder regime at 49.50% triggers.

Continuous-time models are a natural choice for irregular and asynchronous data. A central design choice is how to embed discrete observations into continuous time. Interpolation- and imputation-based embeddings reconstruct a continuous observation path, making the model sensitive to the choice of reconstruction. We show that this reconstruction step is unnecessary; under mild conditions, compact-set universality on the model input space transfers to the data space whenever the embedding from data to input is continuous and injective. Guided by this result, and building on the rectilinear control path for Neural Controlled Differential Equations (NCDEs), we introduce a continuous and injective embedding for Log-NCDEs, a universal class of continuous-time models. Our approach records observations as increments and composes them over arbitrary query intervals to directly form log-signatures. This provides interval-level summaries without first interpolating the observed variables, while supporting online computation. Experiments on synthetic controlled dynamics and real-world time-series datasets show that the representation is accurate, efficient, and robust to irregular, asynchronous, and sparse observations.

We investigate a narrow but common failure mode of GRPO-style reinforcement learning in the context of sparse verifiable rewards: early updates contain more responses with negative advantages than those with positive advantages, while response-level length normalization ties the magnitude of the update to the length of the output. We propose Hysteretic Policy Optimization (HPO), a minimal modification of GRPO that reduces the weight of negative-advantage updates and replaces per-response length normalization with mean-length normalization. We further introduce Adaptive HPO (A-HPO), which sets the hysteretic weight based on batch-level advantage-sign statistics, thereby removing the need for tuning a fixed hysteretic weight. In our TeleLogs and Countdown experiments, A-HPO improves the reward per update compared to GRPO, with the largest gains in early sparse reward regimes. On TeleLogs, A-HPO achieves a final reward of 0.84, outperforming SAPO by 5%, GSPO by 11%, and GRPO by 15%, while maintaining a comparable response-length. On Countdown, A-HPO achieves the largest gains in initial and most difficult configurations across 1.5B-7B models. Ablation studies on the hysteretic weight show that the gains of A-HPO come from better balancing the contributions of positive and negative advantages compared to positive-only or fully symmetric updates.

Always-on edge systems must keep learning as conditions change under tight compute budgets and must detect unreliable predictions. Bayesian binary neural networks are attractive in this setting, but mean-field Bernoulli posteriors can saturate on long non-stationary streams, wiping out epistemic uncertainty and freezing plasticity. We propose BiMU, derived from a bounded-memory variational objective that balances stability, plasticity, and forgetting. BiMU combines a data term with controlled relaxation toward the prior and an uncertainty-dependent step size that prevents saturation and sustains informative uncertainty. This non-degenerate posterior enables fully online, buffer-free active querying via Monte Carlo disagreement, reducing label queries and backpropagation updates under imbalance. BiMU sustains learning and strong OOD detection on 1000-tasks Permuted-MNIST, and on OpenLORIS-Object achieves up to 32$\times$ label/update savings at matched accuracy under class imbalance and feature compression.

Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how specific message-passing operators affect performance. We present an operator-level factorial benchmark that decomposes 2D molecular MPNNs into the three families of message-seed initialization, node-edge fusion, and node update operators. The resulting 84 configurations are benchmarked on ten MoleculeNet datasets under a shared experimental setup and statistical analysis protocol. Across this controlled design, performance variation is associated primarily with message construction rather than update complexity. Message-seed initialization shows significant family-level effects for both regression and classification, node-edge fusion shows a significant family-level effect for regression with descriptive advantages for concatenation-based mixing, and the update family shows no statistically supported effect for either endpoint family. A representation probe into the Quinethazone molecule further demonstrates that concatenation-based mixing can better differentiate chemically distinct heteroatoms and withstand oversmoothing than Hadamard gating. Representative configurations selected separately for classification and regression recover competitive performance relative to established molecular graph neural network (GNN) baselines, ranking numerically best on eight of ten benchmark datasets. These empirical results are interpreted through concise mechanistic analyses of representative node-edge fusion and update operators. Our findings provide empirical design heuristics for molecular MPNNs by turning model design from a search over monolithic architectures into a targeted assessment of where and how chemical information enters the message-passing pipeline.

We show that LoRA adapters, the dominant distribution format for fine-tuned LLMs, can be reliably backdoored through training data poisoning while preserving baseline task performance. On a Qwen 2.5 1.5B prompt-injection classifier, a small fraction of poisoned examples drives a clean-accuracy-preserving backdoor to saturation. The resulting backdoor generalizes at the token feature level rather than the structural pattern level: a model trained on one RFC reference activates on any RFC reference but does not transfer to structurally identical ISO, OWASP, CWE, or NIST citations. This asymmetry favors the attacker, since a defender cannot probe for "structured citations" generically. We characterize the attack across base-model scale and family, LoRA rank, and trigger string, and evaluate two complementary detection routes against a multi-seed adapter cohort. A behavioral detector built from two probe-battery statistics, outlier_gap and mean_attack_rate, separates poisoned from clean adapters perfectly when the battery overlaps the trigger's token neighborhood and at high recall with zero false positives when it does not. A weight-level statistic, the cross-module standard deviation of dimension-normalized Frobenius norms, also separates the cohort perfectly without running the model. Combined, the two routes are robust to probe composition. Causal patching localizes the backdoor to the MLP block at mid-to-late layers, with down_proj as the strongest single-projection cause. Replications across scale, family, and rank show the behavioral detector transfers without retuning, while the weight-level detector is calibration-bound to the base model. The attack scales monotonically with rank, and the chosen trigger-anchor token is both trigger-dependent and base-model-dependent. Behavioral detection is the operationally portable result for adapter supply chain scanning.

Parameter-efficient adaptation has made LLMs practical for domain prediction, but standard LoRA still relies on a static low-rank update and does not expose the latent interactions that often drive scientific labels. We introduce iLoRA. To our knowledge, it is the first Bayesian graph-conditioned LoRA framework. It infers a latent interaction graph from the input and uses it to generate input-conditioned LoRA updates. As a result, iLoRA learns prediction and latent interaction structure jointly, rather than training a predictor and applying interaction analysis only post hoc. We instantiate this idea for microbiome diagnosis, where disease state can depend on both species-level abundance and microbe-microbe cross-talk, and evaluate it in two complementary settings: interactive QA with human-annotated graphs, which tests latent structure recovery, and multi-cohort IBD diagnosis, which tests biomedical utility. Across both settings, iLoRA improves over strong LoRA and Bayesian adaptation baselines, recovers graphs aligned with human annotations and cohort-level microbiome associations, and provides calibrated uncertainty with moderate graph-branch overhead.

Cluster analysis is a widely applied machine learning technique to understand the existing patterns in the population of gamma-ray bursts (GRBs), in order to explore their physical sources. In the present scenario, the number of clusters corresponding to differentiable groups is still under conflict, in spite of numerous attempts with the state-of-the-art clustering procedures. This crucial unknown parameter needs to be evaluated, either directly or indirectly in terms of other tuning parameters, to produce the clusters in GRBs through implementation of an appropriate clustering algorithm. While most of the applied algorithms reached two physically explained groups of merger and collapsar predominated by the short and long bursts respectively, other statistical approaches violated this binary partition. However, physical establishment of any additional cluster(s) is not yet confirmed. Therefore, we propose a new algorithm, from a different stream of clustering referred to as `completely parameter-free', which carries out the classification of GRBs in a manner that has not been tried so far. It indicates two main groups, of short and long duration bursts from the BATSE sample, compatible with the merger-collapsar theory.

While Large Vision-Language Models (VLMs) excel at interpolation, they suffer catastrophic failures in systematic generalization, most notably in visual counting. In this work, we investigate this extrapolation bottleneck by deconstructing visual counting into three cognitive stages: visual individuation, magnitude awareness, and symbolic mapping. Using synthetic Go boards and linear probes, we demonstrate that visual backbones maintain robust, linearly separable representations of quantity well into the extrapolation regime, ruling out perceptual failure. Furthermore, models retain latent magnitude awareness, successfully performing comparative reasoning on quantities they fail to enumerate. We pinpoint the collapse to the symbolic mapping stage, where the model fails to project valid visual magnitudes onto symbolic tokens. Our findings support a frac tured magnitude hypothesis: VLMs fail to acquire a universal number space, instead learning disjoint, modality-specific statistical manifolds that prevent cross-modal grounding for unseen quantities. Validated on the state-of-the-art foundation model, our results suggest that bridging this gap requires inductive priors enforcing unified representations, as data scaling alone is insufficient.

Predicting a complete spatially correlated field from sparse observations is a fundamental challenge in spatial statistics and environmental modelling. Classical interpolation methods such as Kriging rely on Gaussian process assumptions and variography, which can limit their effectiveness in non-stationary settings and require substantial domain expertise. In this work, we leverage an architecture based on convolutional neural networks (CNNs) for spatial interpolation that is trained and applied on a single partially observed field, without access to external data or prior fields. The model is supervised directly on the observed locations and learns to predict values at unobserved points on the user defined grid. Unlike Kriging, our method does not require explicit covariance modelling or variogram estimation, and it can flexibly capture local spatial patterns in a data-driven manner. This work demonstrates the potential of CNNs for single-instance spatial interpolation under sparse supervision, offering a practical alternative to classical geostatistical methods, and extending the use of CNNs to a new problem domain.

Biosecurity evaluations of language models typically ask whether models produce hazardous output. This paper asks a complementary question: when a model refuses, is that refusal structurally sound, or does it disappear under modest changes to prompt framing, formatting, or output length? Across five architectures, no model cleanly discriminated benign from hazard. Gemma 2 2B-IT never genuinely refused across 75 prompts, hedging on every hazard-adjacent query. Gemma 4 E2B-IT refused 65/75 prompts with chat-template formatting and 0/75 without it. Both Gemma models collapsed to 0% under an 80-token cap. Qwen 2.5 1.5B and Phi-3-mini over-refused, flagging 83-87% of benign biology as hazardous. Llama 3.2 1B showed the only meaningful tier gradient (61-point spread). To probe what drives such over-refusal, we tested a panel of Schedule I but biologically non-toxic compounds (notably psilocybin cultivation, with FDA Breakthrough Therapy status). Some models refused these at rates exceeding genuinely hazardous biology, suggesting refusal tracks legality and cultural salience over CBRN hazard. To measure the internal side, we introduce a divergence score D comparing a model's surface response label to its internal sparse autoencoder (SAE) feature activations. Full D was computed on Gemma 2 2B-IT (Gemma Scope 1) and Gemma 4 E2B-IT (author-trained bio SAE). Two fine-tuned Gemma 2 domain SAEs were released. On Gemma 4, comply and refuse responses separated by a 0.647-point gap with zero overlap (n=75), though this is preliminary, with a narrow catalog, within-sample calibration, and Gemma-family-only SAE coverage. Built over one hackathon weekend on consumer hardware (GTX 1650 Ti Max-Q, plus Colab T4 for SAE training), this preliminary evidence suggests activation-level auditing may surface failure modes invisible to behavioral evaluation, with substantial variation across architectures.

Chaotic dynamical systems pose a fundamental challenge for Reinforcement Learning (RL): exponential sensitivity to initial conditions induces high-variance bootstrap targets and poorly conditioned gradient updates. Chaotic dynamics arise across scientific and engineering domains, from fluid flows and climate systems to multi-agent systems, where reliable learning is highly desirable. Standard RL methods optimise expected returns through scalar value functions, implicitly averaging over diverging trajectories and entangling trajectory level instability with the learning objective. We show that under mild statistical stability assumptions, the return distribution evolves more regularly than individual trajectories when measured under the $1$-Wasserstein metric, yielding a smoother distributional Bellman objective. By aligning optimisation with this measure level structure, distributional RL provides better conditioned learning. We offer a principled explanation for the advantages of distributional methods in chaotic systems and the geometries of RL objectives under chaos.

Correctness-based Reinforcement Learning with Verifiable Rewards (RLVR) trains language models from binary feedback on sampled outputs, but the objective optimized in expectation and the stochastic update geometry induced by finite rollout groups are often conflated. This paper develops RL2ML, a family of finite-rollout surrogate objectives with a closed-form, exactly unbiased gradient estimator. The family continuously connects standard reinforcement learning, maximum-likelihood-like training, and beyond-maximum-likelihood objectives while preserving estimator-objective alignment under a fixed rollout budget. We introduce the group-level update scale to characterize how a rollout group is reweighted after its empirical success count is observed, revealing a subcritical-supercritical update-scale transition that is hidden by population-level objective notation alone. Building on this distinction, calibrated metric-gain analysis and exact variance decomposition show that the best choice of surrogate objective is determined neither by proximity to maximum likelihood nor by the population-level weight alone. Instead, it depends jointly on the evaluation metric, local sensitivity, and estimator variance. The remaining degree of freedom in the surrogate objective family can therefore be formulated as a one-dimensional optimization problem rather than treated as an unconstrained hyperparameter.

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their statistical efficiency remains limited. Existing theories typically rely on strong regularity assumptions, such as uniformly bounded densities or globally smooth score functions, which fail to capture such intrinsic structures. In this work, we study the sample complexity of diffusion models for learning distributions supported on a union of low-dimensional subspaces. Assuming that the data distribution within each subspace is subgaussian, we show that diffusion models require at most $\widetilde{O}(\varepsilon^{-k \vee 2})$ samples to achieve $\varepsilon$ error in 1-Wasserstein distance, where $k$ is the intrinsic dimension. This near-optimal convergence rate depends only on the intrinsic dimension and significantly improves upon prior theoretical guarantees that suffer from the curse of dimensionality. Notably, our analysis applies to a broad collection of distributions without imposing smoothness, bounded-density, or log-concavity assumptions. Overall, our results show that diffusion models can statistically adapt to intrinsic low-dimensional structure while naturally accommodating multi-modal data, offering a rigorous theoretical justification for their success in complex high-dimensional learning tasks.

Evolution Strategies (ES) has recently emerged as a competitive alternative to reinforcement learning (RL) for large language model (LLM) fine-tuning, offering advantages through simplicity, scalability, and inference-only training. However, recent work suggests that ES fine-tuning on new tasks may induce forgetting of prior tasks. First, this paper shows that prior task forgetting (1) is better characterized as performance drift rather than irreversible forgetting, with prior-task performance often recovering during ES training; and (2) is not a specific failure mode of ES, but can also arise for fine-tuning with RL methods. Second, it analyzes when and why such drift arises, highlighting its dependence on ES training dynamics, particularly random walk behavior in weakly constrained directions of the weight space. Third, based on these insights, it introduces Anchored Weight Decay (AWD) as a parameter-space regularization technique that constrains optimization toward the initial model parameters. AWD effectively stabilizes prior-task performance while preserving target-task performance, achieving benefits comparable to large ES population sizes at much lower computational cost. Thus, contrary to previous beliefs, the paper shows that prior-task forgetting under ES is largely avoidable, positioning ES as a promising approach for continual learning in LLMs.

Various algorithms have been proposed to address the challenges posed by class-imbalanced learning from real-world data with long-tailed distributions. While these algorithms reduce prediction bias through rebalancing techniques, they often introduce increased prediction variance as a trade-off. Several multi-expert learning algorithms aim to address this variance but involve complex procedures. We propose a new multi-expert learning algorithm, called the dual-axis multi-expert learning (DAMEL), which reduces both bias and variance of predictions by using multiple experts along both representation and time axes. Along the representation axis, DAMEL concatenates the representations of multiple experts and trains an auxiliary balanced classifier simultaneously with the concatenated representations. Along the time axis, DAMEL aggregates network weights across training epochs, employing these aggregated weights during testing. Experimental results demonstrate that DAMEL reduces both bias and variance of predictions, highlighting its effectiveness in class-imbalanced learning.

Modern learning systems excel at interpolation but struggle to generalize to unseen tasks outside the training distribution's support. This failure occurs even in simple settings, such as handling task parameters beyond the training range, and persists despite advances in foundation models. To this end, we develop the Relational Task Extrapolator (RTE), an algorithm designed to enable systematic extrapolation to novel tasks. The key observation is that extrapolation is inherently relational: extrapolating to unseen tasks requires learning how tasks transform into one another. If a model learns the transformation between tasks A and B during training, it can apply that same transformation to relate known tasks to unseen ones at test time. RTE operationalizes this idea by decomposing each target task into a known anchor task and a transformation linking the anchor and target. It then learns a relational operator, mapping an anchor-transformation pair to predictions for the target task. We instantiate RTE across multiple task extrapolation regimes in function prediction, e.g. where target tasks use out-of-range parameters (parameter extrapolation), have greater compositional depth (length extrapolation), and/or recombine function primitives in unseen ways (compositional extrapolation). We further extend RTE to sequence prediction, integrating it into fine-tuning algorithms for foundation models. Across empirical studies, we find that RTE substantially outperforms existing approaches on extrapolation to novel, unseen tasks.

Large Vision-Language Models (LVLMs) map visual inputs into dense token sequences, imposing a quadratic computational bottleneck for inference. Elastic visual-token compression addresses this by training a single model that can run at multiple visual-token budgets. However, existing approaches struggle under aggressive compression. Spatial-only compression, as in nested pooling, behaves as an imperfect low-pass filter and induces spectral aliasing that obscures fine-grained detail. Query-only compression, as in nested query resampling, replaces explicit grid-aligned tokens with non-local summaries and substantially degrades spatial grounding. To resolve this representational conflict, we introduce PARCEL (Pool-Anchored Resampling with Conditioned Elastic Queries for Efficient Vision-Language Understanding), a visual tokenization architecture that dynamically partitions the labor of feature extraction. PARCEL establishes spatial pool tokens as low-frequency layout anchors and conditions elastic query tokens on these anchors through Pool-Conditioned Query Resampling. This encourages query tokens to focus on complementary visual features rather than redundant spatial mapping. Extensive evaluations across 27 benchmarks show that PARCEL improves the performance-efficiency Pareto frontier, consistently outperforming existing matryoshka baselines across visual-token budgets while preserving the "train once, deploy anywhere" paradigm.

Distribution Matching Distillation (DMD) is a widely used paradigm for accelerating inference in few-step video diffusion models. However, DMD-style video distillation faces two coupled challenges: the fake score must track a continuously evolving generator, making training costly when frequent updates are required, while reverse-KL-style matching can be mode-seeking and conservative for preserving strong motion dynamics. To address these issues, we propose \textbf{Score Gradient Matching Distillation (SGMD)}. SGMD adopts a fake-score perspective by directly optimizing the fake score toward the teacher, while using teacher stop-gradient Fisher as a stable distribution-matching objective. We provide a gradient analysis that motivates this objective choice under ideal tracking. Building on this, SGMD introduces a pair of dual potentials: negative-residual (NR) for outer-loop correction and residual-contraction (RC) for inner-loop tracking. Empirically, compared to DMD2, SGMD achieves an approximately $\sim 3\times$ training speedup and substantially improves motion dynamics for 4-step distilled models while preserving temporal consistency. A human study confirms that SGMD is preferred in motion quality and overall preference, while visual quality and text alignment remain comparable. Code is available at https://github.com/ModelTC/LightX2V.

Cross-Reynolds generalisation in neural PDE solvers remains poorly characterised. On the canonical forced 2D Navier-Stokes benchmark, a trained Fourier Neural Operator reaches 46.68% relative L2 error under a 10x Reynolds-number shift, yet zero-forward-model retrieval baselines already improve to 41-42%. This suggests representation geometry as a major organising variable among the tested methods. We test this hypothesis through ConvAE-Relay, which matches states in a source-trained convolutional autoencoder latent space and borrows dynamics from a source-regime database, achieving 38.34+/-0.07% using only a source-regime database and no target-regime fitting, labels, or database entries. A 2x2 ablation isolates matching quality as dominant over the update rule. Oracle experiments confirm that source-regime dynamics directions remain transferable (cosine similarity ~0.84) when matching stays on-manifold; autoregressive drift is the primary bottleneck (~12 percentage points). From the learned-prediction side, a U-Net with multi-scale skip connections achieves 34.72+/-0.60%, consistent with the retrieval-side finding that local, multi-scale representations organise cross-Reynolds transfer among tested methods. All claims are scoped to this benchmark.

Large language models (LLMs) are increasingly used as generators in iterative neural architecture search (NAS), yet no formal convergence theory exists for this class of algorithms. We model iterative LLM-NAS as a parametric Cross-Entropy (CE) method over executable programs and prove six results: (1) iterative LLM fine-tuning on elite architectures is equivalent to the CE update restricted to the LLM parametric family; (2) expected architecture quality is monotonically non-decreasing across cycles; (3) elite-set probability converges to a fixed point at a geometric rate C_t >= 1-(1-rho_0)^t; (4) delta-based generation achieves a strictly higher valid-generation rate than full-code generation under a first-order Markov token-error model; (5) the MinHash-Jaccard novelty filter prevents mode collapse; (6) proxy reliability admits the closed-form rho_S = (6/pi) arcsin(rho_P(SNR)/2), yielding the practical diagnostic sigma^2_arch >> sigma^2_noise as a necessary condition for trustworthy proxy-based rankings. Testing against a 22-cycle, three-LLM, six-dataset experiment with 3,300 generated architectures confirms two predictions quantitatively, two at direction-of-effect level, and explains the proxy-reliability ceiling effect previously reported empirically but left unexplained.

World models require state tracking, which is the ability to maintain a correct latent state across action sequences. Existing benchmarks are often synthetic or language-based, limiting their value as tests of structured state updates in realistic domains. We introduce Chess-World-Model, a large-scale state-tracking benchmark built from 10 million real chess games, where models predict the exact board state reached after a sequence of legal moves. Alongside a held-out real-game split, we include an out-of-distribution split from uniformly random legal play, which tests whether models learn the transition rules rather than shortcuts from common human positions. Prior theoretical and empirical work has shown that Transformers struggle to state-track, while input-dependent linear RNNs require expressive state-transition matrices to do so. We therefore benchmark a causal Transformer, block-diagonal SLiCE, Mamba-3, and Gated DeltaNet with negative eigenvalues under a matched interface and training protocol. The recurrent models strongly outperform the Transformer at 3 and 8 million parameters. Real-game performance saturates above 18 million parameters, but the random-uniform split remains discriminative up to 40 million, exposing failures otherwise hidden by scale. Additionally, ablations show that less expressive state-transition mechanisms reduce performance on the out-of-distribution split for all three recurrent models. Together, these results establish Chess-World-Model as a practical large-scale benchmark for state tracking that exposes failures model scale would otherwise conceal.

Language model reasoning traces are rarely all-or-nothing; they frequently contain valid intermediate steps before a critical error occurs. Existing uncertainty quantification methods typically certify final answers or entire responses, failing to provide statistical guarantees for the proportion of a sequential trace that can be safely retained. To address this, we introduce CROP (Conformal Reasoning Output Prefixes), a verifier-agnostic calibration procedure for clean-prefix certification. Given any step-level risk proxy, CROP selects a calibrated threshold and returns the longest contiguous prefix whose step risk proxies remain below it, routing the uncertified suffix for downstream review or repair. Assuming exchangeability, CROP rigorously controls the marginal probability that the returned prefix contains an annotated error. Across six process-labeled reasoning datasets, we demonstrate that standard step-level metrics such as AUROC do not fully capture prefix utility, suggesting verifiers should instead be evaluated by certified prefix length. Furthermore, CROP balances over- and under-withholding, improving downstream repair accuracy by preserving valid intermediate reasoning while discarding misleading suffixes. Ultimately, this work positions prefix certification as a rigorous, practical bridge between process supervision, abstention, and repair.

Quantum Federated Learning (QFL) offers a promising framework to train quantum models across distributed clients while keeping data strictly local. Due to its simplicity and low communication overhead, Federated Averaging (FedAvg) is the standard aggregation choice in QFL literature. However, deploying QFL on practical hardware exposes a severe double-drift phenomenon: the global model is simultaneously derailed by client drift from non-IID data and hardware bias from noisy quantum gradient estimates. In this work, we first analyze the convergence of FedAvg under these realistic conditions, mathematically demonstrating that quantum hardware bias creates a persistent error floor that standard averaging cannot correct. To overcome this limitation, we propose Q-ANCHOR, a quantum-aware federated aggregation architecture that anchors server updates with zero-noise extrapolation while applying stateful client correction to suppress both client drift and hardware-induced bias. Our convergence theory proves that Q-ANCHOR successfully mitigates classical client drift while actively reducing the hardware-bias floor. Experimental results demonstrate that Q-ANCHOR achieves significantly more stable training than conventional FL baselines.

Moving beyond simple scalar rewards toward richer world feedback is a natural path to more scalable RL post-training. On-policy self-distillation (OPSD) is a promising recent approach that uses arbitrary feedback as learning signal, yet its reliability compared to established methods, such as GRPO, remains unclear. We identify a strikingly consistent linear correlation between the initial student-self-teacher performance gap and the final performance improvement in OPSD. This relationship holds across context types and model families, providing a powerful predictive law for anticipating the outcome of an OPSD configuration without running the full training procedure. Interestingly, we show that this linear predictability holds with model scale, suggesting a potential basis for new empirical scaling laws on larger models with stronger in-context learning capabilities. In essence, our findings show that OPSD performance can be predicted and tuned before training, offering a principled way to incorporate world feedback as a first-class component of the post-training pipeline.

We connect stochastic resetting from non-equilibrium statistical physics with ridge regularization in statistical learning. For linear gradient flow, resetting to the origin at rate $r$ produces stationary mean $(X^\top X+rI)^{-1}X^\top y$, exactly the ridge estimator with penalty $λ=r$. This uses the known Laplace-transform relationship between ridge regression and exponential-time averaging of gradient flow, with the exponential time now interpreted as the stationary age associated with Poisson resetting. We then extend this identity to general renewal reset laws: the exponential reset time distribution is the unique renewal law whose stationary mean reproduces scalar ridge in every eigendirection as an exact filter identity for every positive curvature, while non-exponential renewal laws generate alternative spectral filters. At the fluctuation level, we study a separate additive Ornstein-Uhlenbeck extension with constant diffusion, interpreted as a stylized SGD approximation. In this setting, the equality holds only at the level of the mean, since the reset process has a nonzero stationary covariance from accumulated OU noise and reset-timing variance, whereas deterministic ridge is a fixed estimator with the same center. Stylized experiments compare the deterministic renewal-induced filters directly and illustrate when filters induced by non-exponential reset-time laws can differ predictively from ridge. The results for the stationary mean and the induced spectral filters are established for continuous-time gradient flow with isotropic resetting on quadratic objectives; the covariance and risk formulas additionally assume additive noise with state-independent covariance.

Recent advances in reinforcement learning (RL) have achieved great successes by leveraging the multimodality and exploration capability of diffusion policies. Among these approaches, one representative branch focuses on the sampling-based policy optimization. This design enables better exploration capability of the diffusion model, particularly at the beginning of training, but suffer from low exploitation in Q-value information, resulting in a slow policy convergence. Another branch pays attention to gradient-based policy optimization, which sufficiently exploits the gradient of the Q function yet tends to collapse into a unimodal policy with low diversity. To address this issue, we propose CGPO, \textbf{C}ritic-\textbf{G}uided diffusion \textbf{P}olicy \textbf{O}ptimization, which effectively balances exploration and exploitation with the training-free guidance technique integrated into the denoising process of diffusion policy. Concretely, CGPO steers action generation toward high-value regions defined by the critic network and uses the guided actions as regression objectives. In this manner, CGPO reduces the time required to obtain high-quality actions and improves final performance with better balance between the exploration-exploitation tradeoff. We validate the effectiveness of CGPO on 5 MuJoCo locomotion tasks, and CGPO achieves state-of-the-art performance compared with existing diffusion-based RL methods. Notably, CGPO is the first success to incorporate diffusion policy into real-world RL, with its superior performance on Franka robot arm grasping tasks. Our official page is released at https://dingsht.tech/cgpo-webpage.

Anomaly detection aims to identify samples that deviate from the nominal data distribution and is central to many safety-critical applications. However, developing effective anomaly detection methods for categorical, mixed-type, and discrete sequence data remains challenging and relatively underexplored. Masked diffusion models provide a natural way to model such data by learning to recover masked values from the remaining visible context. In this paper, we propose Masked Diffusion for Anomaly Detection (MaskDiff-AD), a forward-only method based on masked diffusion models trained only on nominal data. Given a test sample, MaskDiff-AD constructs anomaly scores from the difficulty of reconstructing randomly masked coordinates, yielding a content-sensitive score that operates directly on discrete state spaces while avoiding reverse-time sampling. We also develop a non-parametric variant of MaskDiff-AD and provide theoretical guarantees by characterizing Type-I and Type-II errors under a fixed detection threshold. Experiments on fourteen categorical and mixed-type tabular datasets from ADBench and UADAD, as well as four text anomaly detection datasets from NLP-ADBench, show that MaskDiff-AD achieves competitive performance against classical, diffusion-based, and recent tabular/text anomaly detection baselines. Notably, MaskDiff-AD achieves the best overall average rank, outperforming all twelve tabular baseline methods.

Diffusion models generate highly realistic images but often struggle with precise text-image alignment. While recent post-training methods improve alignment using external rewards or human preference signals, their performance heavily depends on reward quality and does not directly address alignment within the diffusion process itself. Recent reward-free approaches such as SoftREPA demonstrate that optimizing soft text tokens via contrastive learning can effectively improve text-image representation alignment, outperforming standard parameter-efficient fine-tuning baselines. However, the contrastive formulation can excessively penalize negative pairs, which manifests as characteristic failure cases such as over-counting and repetition. To address this issue, we propose a lightweight, reward-free post-training method that refines soft tokens by integrating contrastive alignment guidance directly into the score-matching objective of diffusion models. By assigning alignment directions at the score level, our approach mitigates these limitations and yields more coherent and semantically faithful generations. Experiments show that our method matches SoftREPA while substantially improving its failure cases, achieving over 35% improvement in counting accuracy on the GenEval benchmark. Our method is seamlessly applicable to existing diffusion backbones (SD1.5, SDXL, and SD3), and is complementary to existing RL-based diffusion post-training methods. Project page: https://jaayeon.github.io/AGSM

Supervised Causal Learning (SCL) has shown promise in causal discovery by framing it as a supervised learning problem. However, it suffers from significant out-of-distribution generalization challenges. We reveal three limitations of previous SCL practices: a significant performance gap between synthetic benchmarks and real-world data, fragility to distribution shifts, and failure in compositional generalization, collectively questioning its real-world applicability. To address this, we propose Test-Time Training for Supervised Causal Learning (TTT-SCL), a novel framework that dynamically generates training sets explicitly aligned with any specific test instance. We demonstrate the correlation between TTT-SCL and score-based methods, and design an efficient module for generating training sets based on the classic scoring function. Experiments on synthetic benchmarks, pseudo-real and real-world datasets demonstrate that TTT-SCL significantly outperforms existing SCL and traditional causal discovery methods.

We study two-level autoresearch for cooperation: an outer-loop AI agent autonomously redesigns the inner-loop pipeline of an LLM policy-synthesis system for multi-agent Sequential Social Dilemmas (SSDs). A researcher agent $\mathcal{R}$ (run as a coding agent) reads the inner-loop source code, edits system prompts, feedback functions, helper libraries, and iteration logic, runs evaluations, and decides what to keep, following the autoresearch paradigm. Across two games (Cleanup and Gathering), two policy-synthesizer LLMs, and two welfare objectives (utilitarian efficiency and Rawlsian maximin), the researcher reliably exceeds hand-designed baselines, sharply tightens run-to-run variance, and outperforms prompt-only optimization. The discovered pipelines are objective-dependent: only under maximin does the researcher inject an explicit fairness mechanism into synthesizer pipelines, a class of mechanism that is absent from its own objective-agnostic system prompt and from every efficiency-optimized pipeline. This supports an information-design reading in which the researcher chooses what to reveal to the boundedly rational synthesizer as a function of the welfare objective. Code at https://github.com/vicgalle/autoresearch-social-dilemmas.

The adversarial robustness of attributions is a fundamental requirement for reliable explainability in deep learning, yet existing approaches typically rely on computationally expensive explicit regularization. In this work, we show that attribution robustness can arise implicitly from the learning dynamics of standard stochastic gradient descent. We theoretically motivate this effect through connections between parameter-space and input-space curvature, and validate it across architectures, datasets, and attribution methods, with negligible computational overhead. In contrast, we prove that such robustness gains often does not transfer to attention-based attribution under softmax normalization, due to inherent entropy constraints, and we validate this limitation experimentally. Finally, we show that replacing softmax attention with kernel-based attention restores the robustness gains in transformer models. Our results highlight learning dynamics as a principled and practical mechanism for robust explainability, and reveal fundamental limitations of attention-based attribution under normalization.

Multimodal alignment of histopathology encoders with transcriptomic and genomic data has been shown to significantly improve performance in downstream diagnostic tasks. Hematological cytology is unique in that visual single-cell evaluation is often paired with cytogenetics and molecular genetics for blood cancer diagnosis. In this study, we present a framework to align single white blood cell images with chromosomal aberrations (karyotype) and somatic mutations from targeted gene panels. Our training strategy follows a two-stage approach: (i) self-supervised, vision-only pretraining of a transformer aggregator using an iBOT head on a cohort of over 1500 patients, and (ii) genetic alignment via supervised contrastive loss on acute myeloid leukemia patients. Our genetically aligned patient encoder improves hematological diagnostic tasks, outperforming slide-level histopathology foundation models. Additionally, the model provides off-the-shelf retrieval capabilities for diseases and genetic alterations. Incorporating genetic data into patient encoders increases the quality of patient representations, providing a framework that aligns with clinical diagnostic workflows and paves the way for future multimodal hematology-specific AI. The code and model weights are available at https://github.com/marrlab/GenBloom.

The behavior of LLMs does not depend solely on the model itself. Components of the inference system, such as the inference engine, attention backend, and hardware platform, subtly influence how inputs are processed. These components differ in their implementations and thereby induce small numerical deviations across systems when running the same model. While prior work has established the theoretical existence of such deviations, their security implications have remained unexplored. In this paper, we show that these deviations are characteristic of specific components and propagate to observable textual outputs, exposing the inference system to any party that can query the model. Building on this observation, we introduce a fingerprinting method that analyzes the prompt-response behavior of LLMs to identify components of the inference system. Our empirical evaluation demonstrates that the inference engine, attention backend, and underlying hardware platform can be identified reliably, even when the LLM is operated at non-zero temperature. We show that preventing fingerprinting is fundamentally hard, as it would require eliminating numerical differences between hardware and software stacks. We therefore propose partial mitigations and discuss their impact.

We present a fully convolutional denoising autoencoder (FC-DAE) for denoising two-time intensity-intensity correlation functions ($C_2$) in X-ray photon correlation spectroscopy (XPCS). Unlike conventional denoising autoencoders that are typically restricted to fixed input sizes, the FC-DAE accepts inputs of arbitrary dimensions while preserving correlation structures across diverse dynamical regimes. The model is trained using experimentally derived $C_2$ data collected at NSLS-II beamlines, with data augmentation applied to expand the diversity of the dataset and reduce overfitting. The FC-DAE successfully recovers intricate dynamical features in low signal-to-noise conditions while maintaining structural fidelity. To assess reconstruction reliability, we employ quantitative metrics to evaluate structural fidelity and identify potential model-induced bias. Our results demonstrate that the FC-DAE provides robust denoising performance with high computational efficiency, enabling recovery of XPCS dynamics under photon-limited and low-dose measurement conditions.

Honeypots are decoy systems mimicking real system components designed to defend against cyber attacks. Recently, LLMs increasingly serve as simulation backbones for honeypots. They enable defenders to construct high-interaction honeypots with low system security risks. However, LLM-powered honeypot development lacks a unified evaluation framework. Most evaluations consist of measuring response similarity on fixed commands, manual testing, or real-world deployment. These methods are often not scalable for development, reproducible across evaluations, representative of practical attacks, or adaptable to various attacker and honeypot configurations. In this work, we bridge this gap and propose Honeyval, a comprehensive evaluation framework for LLM-powered HTTP honeypots. We address the limitations of prior evaluations by grounding the honeypots in 16 backend applications, using AI hacking agents as attackers, employing two control tasks to monitor agent and honeypot capabilities across customizations, and defining clear and verifiable exploit goals for the attacker. Using Honeyval, we conduct an extensive evaluation of recent cost-efficient LLMs as HTTP honeypots. Our experiments highlight the promise of LLM-powered honeypots; they lead to substantially longer interactions with the attacker than rule-based baseline honeypots and are far less frequently detected even by frontier models, all while, on average, preserving a running cost advantage against agentic attackers. Further, we experiment with different counter-offensive honeypots configurations, and observe unique trade-offs, such as longer interactions at the cost of increased detection.

Accurate long-range prediction of geophysical systems is difficult due to strongly nonlinear dynamics, the high computational cost of full-physics simulations, and the error accumulation that arise when one-step autoregressive surrogates are rolled out over decades. Deep neural network can serve as efficient emulators, but most are trained only for next-step prediction and often drift or become unstable as the forecast horizon grows. We propose a multi-horizon graph neural network emulator that learns state-to-state transitions from a single current time to multiple future lead times within one unified model. The physical domain is represented as a graph, where nodes correspond to spatial locations with time-varying geophysical attributes and edges encode local spatial interactions. Given the current graph state, the model predicts the future evolution of key fields, ice thickness and ice velocities at all nodes, using a shared graph backbone with separate output branches for each target variable. To improve stability, the network predicts state increments relative to the current state, which are then added back to reconstruct future states. Training jointly optimizes all lead times with a unified regression objective, and inference uses a coarse-to-fine rollout that advances with larger jumps and selectively refines with shorter jumps to reduce drift and avoid redundant computation. Experiments on multi-decadal Pine Island Glacier simulations show that our approach achieves higher long-range accuracy and improved stability than both (i) an initial-state baseline that predicts each future time directly from the starting state and (ii) a standard single-step autoregressive rollout, producing a more reliable emulator for downstream climate and sea-level studies.

Understanding how harm emerges from interaction between otherwise benign image-text pairs requires intent-aware cross-modal reasoning beyond surface-level features. Existing vision-language models (VLMs) excel at literal reasoning over perceptual cues but often fail to derive harmful semantics that rely on implicit, context-dependent reasoning. To evaluate VLMs on compositional harm detection and reasoning, we introduce Multimodal Pragmatic Harm Interpretation (MuPHI), a dataset containing image-text pairs where harm is encoded in subtle multimodal cues. MuPHI spans diverse harm categories and includes annotated harm rationales for assessing VLM reasoning chains. To improve both detection and reasoning in VLMs, we propose MuPHIRM, a reasoning-augmented training framework which learns joint semantics by optimizing multi-perspective rewards. MuPHIRM improves both harm detection and reasoning quality of VLMs while demonstrating superior out-of-distribution robustness compared to both trained and inference-time baselines. Our findings suggest that reasoning-oriented reward optimization offers a promising direction towards building multimodal systems that generalize beyond benchmark-specific shortcuts.

Motor imagery (MI) classification using electroencephalography (EEG) signals is essential for advancing brain-computer interfaces (BCIs). Traditional EEG channel selection methods often face limitations, such as dependency on single-objective criteria and susceptibility to local optima. To address these challenges, this work proposes a multi-objective optimisation framework that employs non-dominated sorting genetic algorithm, multiple-objective particle swarm optimisation, and a multi-objective evolutionary algorithm based on decomposition. Our approach effectively balances spatial relevance, using a Gaussian kernel, and functional discriminability, which assesses intratrial task-related desynchronisation, thereby improving performance. We evaluated this framework on four EEG datasets: Physionet, OpenBMI, HighGamma, and BCIIV-2A. The proposed approach successfully identifies compact, relevant channel subsets concentrated around sensorimotor cortex regions linked to MI activity, addressing the prevalent challenges of dimensionality and complexity inherent to traditional techniques. Furthermore, the framework achieved classification performance of 87%, 71%, 75%, and 65% on the Physionet, OpenBMI, HighGamma, and BCIIV-2A datasets, respectively. By outperforming existing single-objective and accuracy-based methods, and those relying on fixed subsets, these findings demonstrate that this new multi-objective optimisation framework can enhance MI-based BCI performance while facilitating compact channel configurations with reduced computational complexity, making them better suited for wearable, portable, and real-time BCI applications.

Critical networking workflows require high-fidelity packet captures (PCAPs) for testing, security analysis, and protocol validation, not just statistical flow-level summaries. Recent packet generators have demonstrated protocol-constrained PCAP synthesis, but they universally decode directly to raw packet fields. That interface entangles learned behavioral choices with deterministic protocol consequences, which forces packet realization to depend on post-hoc heuristic repair. We identify this decode interface as the fundamental bottleneck and present TraceCodec, a state-aware neural codec for stateful multi-flow traces. TraceCodec lifts each packet into a timed packet action with explicit flow slots and transport cues, then learns a continuous per-packet latent. A deterministic compiler lowers decoded actions back to PCAPs, owning endpoint assignment, TCP state, legality constraints, and packet rendering. The latent layer exposes a generator-facing sequence space, so downstream traffic models can operate on packet-action latents rather than raw header fields. On CICIDS2017 Monday, TraceCodec matches packet count, protocol composition, and flow population to within 0.03%. Raw-field baselines under the same non-repair policy distort flow counts and TCP state by orders of magnitude. Structural diagnostics show that TraceCodec preserves TCP state transitions and multi-flow interleaving that raw-field decoders fragment. This work establishes a new foundation for high-fidelity packet-trace generation.

Integrated sensing, communication, and computation (ISCC) provides a promising framework for indoor human-centric applications. In these applications, short-term human pose prediction facilitates continuous human tracking and resource allocation in advance. In this paper, we propose a Cramer-Rao bound (CRB) guided resource allocation framework for indoor mmWave ISCC systems to minimize the human pose prediction error under communication, latency, and energy constraints. We characterize the impact of sensing power on range-estimation uncertainty and point-cloud perturbation based on the CRB. To capture the impact of computation resources on prediction performance, we adopt an adaptive-depth Mamba-based pose prediction model, where lightweight prediction heads are attached after every layer to enable inference with different model depths. With this unified sensing-computation modeling, we establish a quantitative relationship among sensing power, model depth, and prediction error. Furthermore, we formulate a joint resource allocation problem to minimize the pose prediction error. To solve this problem efficiently, we develop an alternating optimization (AO)-based algorithm, where closed-form solutions are derived for the sensing power and model depth update steps. Simulation results show that the proposed scheme significantly reduces pose prediction error compared with baseline methods, validating its effectiveness for resource-constrained indoor human-centric ISCC systems.

Diffusion models are effective for waypoint prediction in visual navigation, but standard sampling and test time guidance can produce unreliable or inefficient trajectories when updates drift off the training manifold. We propose Fisher Preserving Guidance with Outer Product Span Projection, a training-free inference method that avoids large Fisher drift associated with off-distribution actions while optimizing a task objective. Our method computes the Fisher-preserving update via a low-rank Jacobian factorization, requiring only a single backward pass per step and enabling real-time use. We further introduce Truncated Fisher Denoising Sensitivity as an uncertainty signal and use it for robust multi-sample action blending. Experiments on toy and realistic navigation benchmarks, including Maze2D with TSDF-based guidance, PushT with official Diffusion Policy weights, and visual navigation in simulation and on real robots, demonstrate consistent improvements in performance over strong diffusion-policy baselines without additional training.

Clustering is a fundamental problem in data science with a long-standing research history, yielding numerous insightful algorithms. Despite this progress, a systematic and large-scale empirical evaluation that jointly considers conventional algorithms, deep learning-based methods, and recent foundation model-based clustering remains largely absent, leading to limited guidance on algorithm selection and deployment. To address this gap, we introduce CLUBench, a comprehensive clustering benchmark comprising 24 algorithms of diverse principles evaluated on 131 datasets across tabular, text, and image data, involving 178,815 experiments. Importantly, our analyses of (i) the impact of hyperparameter tuning,(ii) the impact of data types and characteristics,(iii) the impact of pretrained embeddings,(iv) large language model-based clustering,(v) the similarity of algorithms, and (vi) the low-rank structures of performance matrices, yield meaningful insights and promising pathways for clustering research. For instance, our study reveals that: 1) All evaluated deep clustering methods do not exhibit a significant advantage compared with the top-performing conventional clustering algorithms (e.g., KMeans, SpeClu) in terms of average performance; 2) For image and text clustering tasks, combining pretrained embeddings with conventional clustering algorithms (e.g., KMeans, SpeClu) offers effective and efficient clustering; 3) Clustering remains a challenging and nontrivial problem, even in the era of increasingly dominant foundation models. Moreover, we propose to use the low-rank structure in cross-model performance matrices to efficiently approximate the overall performance evaluation in practical applications. We further demonstrate the feasibility of model selection based on the performance matrices across all hyperparameter configurations.

Forecasting the progression of neurodegenerative diseases, such as Parkinson's disease, is essential for effective long-term planning and personalized therapeutic intervention. Existing systems typically produce scalar clinical scores that ignore the rich structure of longitudinal neuroimaging, while traditional generative approaches suffer from a loss of anatomical details and blurring subtle progression patterns. To address this, we introduce a novel treatment-conditioned diffusion framework that predicts high-fidelity future brain states by conditioning the generative process on patients' screening DaTscan images and levodopa equivalent daily dose over one year. The pipeline uses a Transformer-based encoder to represent non-linear, time-dependent pharmacological dynamics and optimizes generation through a multi-weight region-of-interest mask that focuses on biologically critical areas. Experimental evaluation shows that our framework maintains sharp anatomical boundaries and significantly improves clinical fidelity relative to the baseline, achieving 14.0% lower MSE, 7.2% lower MAE, and 4.9% higher SSIM.

Despite recent advances, LLM-based web agents still struggle with limited exploration, omission of critical steps, and sensitivity to task constraints. Prior work suggests that many of these failures stem from weaknesses in planning, yet the impact of alternative natural language plan representation remains unexplored. To address this, we introduce PlanAhead, a static planner-executor framework that evaluates the impact of plan representation in agent performance. We first automatically categorize WebArena tasks into 3 difficulty levels, enabling consistent difficulty grading without human annotation. Then we systematically evaluate 4 different plan representations on the tasks categorized as hard: sequential subgoals, narrative, pseudocode, and checklist; across different families of multimodal LLM powered agents (OpenAI, Alibaba, and Google). To account for stochastic variability, we introduce two novel evaluation metrics: Achievement Rate (AR) and Solved-Task Consistency (STC). Our results show that both, the plan formulation and the underlying LLM generating the plan, significantly influence web-agent robustness and task success.

Accurate prediction of drug-target interactions (DTI) is critical for drug discovery. Existing methods often rely on single-modal representations (e.g., sequences or graphs) or combine only two modalities, overlooking 3D structural features. To address this challenge, we propose TriMod-DTI, a triple-modal contrastive learning framework that incorporates 1D sequences, 2D graphs, and 3D structures of drugs and proteins, obtaining the universal and complementary feature representations for DTI prediction. We design a Feature Extractor to capture drug and target features across the three modalities, thereby enriching their representations. We further propose a triple-modal contrastive learning strategy to align different modal representations of the same drug or protein in the latent space. By constructing cross-modal positive and negative sample pairs, this approach enhances the model's discriminative ability. Experiments on three benchmark datasets demonstrate that TriMod-DTI outperforms state-of-the-art methods. The ablation studies validate the contributions of each modality. Moreover, case studies highlight its practical potential for DTI prediction and drug discovery.

This paper investigates a multi-user indoor integrated sensing and communication (ISAC) system operating in the terahertz (THz) band, designed for adaptive communication based on gesture recognition. Leveraging gesture tracking through an extended Kalman filter (EKF), the access point (AP) dynamically adjusts resource allocation in response to detected gesture variations, thereby improving sensing accuracy. Based on the gesture recognition results, the AP further updates the communication quality requirements of different users, enabling efficient resource allocation. To this end, an adaptive joint optimization algorithm for power allocation and beamforming is developed to maximize the overall sensing signal-to-interference-plus-noise ratio (SINR) while satisfying the gesture-dependent communication quality of service (QoS) constraints. Simulation results demonstrate that the proposed method effectively responds to gesture dynamics, achieving superior sensing accuracy and communication performance compared with conventional single-variable optimization baselines.

We propose a machine learning approach for image regression from sparse experimental measurements. We show the application of the proposed method on film cooling studies in propulsion system development, aiming to reduce the need for extensive physical testing. Our method employs a lightweight feed-forward neural network with positional encoding to generate images conditioned by input parameters. Validated on real and synthetic data, it achieves high image similarity (RMSE < 8 %, SSIM > 93 %) while maintaining accuracy with a 30 \% reduction of measurements. We further propose a knowledge-informed extension for local adaptability of the generated images. This approach significantly reduces required tests while preserving high-quality data, enabling efficient optimization of coolant injector configurations with applications beyond aerospace.

Sparse recovery in linear systems underpins applications from signal processing to high-dimensional regression. Sparse Bayesian Learning, grounded in the principle of automatic relevance determination (ARD), offers a practical Bayesian mechanism for feature sparsity via marginal likelihood optimization. Yet, its reliance on a homoscedastic noise model renders it sensitive to data contaminations such as outliers or misspecified noise, harming model fit and predictions. Instead, we propose jointly learning individual feature and sample relevancies, enabling simultaneous model and data sparsification via a single Bayesian objective. This symmetric pruning of model and data offers a natural extension that preserves conjugacy, admits closed-form updates for standard optimization procedures, and aligns with perspectives from robust regression and influence functions. Empirical results across diverse regression tasks affirm that a joint ARD approach consistently yields both sparse and robust prediction models.

Large language models (LLMs) can detect software vulnerabilities, but how do they actually identify vulnerable code? We address this question using mechanistic interpretability; analyzing the internal computations of a neural network to understand its reasoning process.Using Circuit Tracer on Gemma-2-2b, we trace the computational pathways activated when the model classifies 472 C/C++ code samples as vulnerable or safe. Our analysis reveals a surprising finding: the model primarily relies on safety detectors, attention heads that recognize safe coding patterns, rather than directly detecting vulnerability signatures. When these safety detectors fail to activate, the model classifies code as vulnerable. We identify the critical neural components: specific attention heads in early layers (L5, L7) that focus on safety patterns, and Multilayer Perceptron (MLP) neurons in Layer 7 that encode vulnerability-related features. Ablation experiments confirm their causal role; removing Layer 11 drops vulnerability detection accuracy from 100% to 6%, while ablating just 20 neurons in Layer 7 reduces it by 50%.Our findings show that LLM vulnerability detection uses sparse, interpretable circuits (only 16% of model capacity), enabling circuit-level explanations for security predictions and targeted improvements to detection systems.

Contrastive learning is effective for aligning paired views or modalities, but alignment beyond two modalities remains non-trivial and comparatively underexplored. Pairwise CLIP-style losses decompose multi-modal alignment into independent two-way comparisons and therefore do not explicitly model higher-order dependencies among multiple modalities. Recent beyond-pairwise objectives approach this problem from statistical or geometric perspectives, but arbitrary-modality alignment still lacks a principled criterion for defining what each modality should preserve and compress relative to the others. We revisit arbitrary-modality alignment through the Information Bottleneck principle. In multi-modal learning, sufficiency should preserve information predictable from the remaining modalities, while minimality should compress modality-specific information not supported by them. This naturally leads to a One-vs-All view, where each modality is characterized with respect to the remaining modalities. We propose OVA-IB, an Information Bottleneck framework for arbitrary-modality alignment. OVA-IB optimizes a tractable One-vs-All contrastive lower bound for sufficiency connected to a Dual Total Correlation-style objective, uses a parameter-free geometry-aware projection score, and derives a tractable upper-bound regularizer for minimality by bounding each representation's dependence on its own input with representation distributions induced by the remaining modalities. Experiments on classification, regression, modality-agnostic evaluation, and cross-modal retrieval benchmarks demonstrate strong and robust performance.

Reinforcement learning (RL) post-training has shown to improve reasoning in large language models (LLMs). However, there has been little exploration on the problem of data contamination in RL post-training, potentially undermining generalization and evaluation reliability of the training process itself. Existing detection methods primarily rely on output-level signals such as likelihood or entropy, which become unreliable for RL-trained models since RL shapes behavior through trajectory-level rewards rather than token likelihoods. We propose LaRA, a layer-wise representation analysis framework for detecting contamination in RL post-trained LLMs. LaRA introduces three complementary metrics, measuring perturbation sensitivity, directional collapse, and local representation rigidity under controlled perturbations. We find that contamination produces progressive geometric deviations across layers, including amplified perturbation sensitivity, stronger directional collapse, and enhanced local rigidity. Based on our findings, we also develop a contamination detection protocol that aggregates representation-level deviations across layers and metrics. Experiments on RL-trained reasoning models show that our protocol outperforms existing output-level baselines for contamination detection.

Modern statistical learning theory and deep learning characterize generalization primarily in terms of continuous capacity control (e.g., norm-based regularization, margin maximization, low-rank bias). While highly successful in continuous domains, deep learning consistently fails to extrapolate exact algorithmic or discrete algebraic rules, reflecting a missing inductive bias toward algorithmic complexity minimization. We propose the Cayley-table completion as the canonical testbed for this missing bias, serving as the discrete algebraic counterpart to matrix completion. Just as matrix factorization combined with weight decay yields an implicit geometric bias toward low linear rank, recent results demonstrate that operator-valued tensor factorizations paired with a flatness prior yield an implicit algorithmic bias toward exact discrete associativity. We pose the open problem of establishing formal exact recovery bounds for Cayley-table completion, and challenge the community to generalize continuous flatness priors to autonomously discover broader discrete algorithmic axioms without combinatorial search.

Predicting the next mobile application a user will launch is essential for intelligent device resource management and proactive assistance. Existing models rely on fixed app vocabularies, which prevents them from generalizing across different app ecosystems. Many also depend on user-specific knowledge, which complicates deployment in cold start scenarios. We propose STAP, a Transformer-based model that eliminates the need for a fixed vocabulary. STAP replaces true app identities with randomly reassigned virtual indices via a shuffle mechanism, and compensates for discarded semantic information by processing behavioral sequences with an ultra-long context design. A theoretical analysis shows that, given a sufficiently long context, the predicted distribution converges to the correct one despite the anonymity of the mapping. Experiments on two datasets from different continents demonstrate that STAP achieves strong cross-dataset zero-shot prediction accuracy -- a setting where all existing fixed-vocabulary methods are inherently inapplicable -- while its cold start performance within each dataset remains competitive with leading models. Furthermore, we introduce a deployment strategy that enables the model to retain a sufficiently long context during continuous inference while keeping latency within acceptable bounds.

When a large language model under reinforcement learning commits a wrong reasoning step early in a trajectory, standard algorithms force it to keep generating until the maximum horizon, spending compute on tokens that never receive positive reward and polluting advantage estimates with post-failure noise. We propose ESPO (Early-Stopping Proximal Policy Optimization), which detects trajectory failure on-the-fly and terminates rollouts early. At each generation step, ESPO computes a surrogate regret using only the logits already computed during sampling, and terminates when the smoothed cumulative regret significantly exceeds its estimated values. Truncated trajectories are treated as absorbing failure states with a terminal reward, concentrating negative temporal-difference (TD) errors near the detected failure step without any additional reward model or human annotation. On DeepSeek-R1-Distill-Qwen-7B trained for mathematical reasoning, ESPO surpasses PPO on AIME~2024 (46.28% vs. 45.25%), AMC~2023 (85.83% vs. 82.94%), and MATH-500 (87.42% vs. 85.43%), while saving more than 20% rollout tokens cumulatively.

Large language models (LLMs) are increasingly used for writing and review support, but their usefulness depends on context-dependent criteria, such as expert preferences or organization-specific conventions, that are often tacit, undocumented, and difficult to elicit directly. We propose a problem setting for learning reusable natural-language rubrics from accumulated inline comments on artifacts such as human-written or LLM-generated drafts. Our method infers rubrics from these comments and iteratively refines them by observing comment-wise mismatches between rubric-conditioned predictions and reference comments. We evaluate the proposed method in real-world review settings and in controlled settings with reference rubrics. These results show that inline comments can be distilled into reusable rubrics that support comment prediction, rubric understanding, and automatic artifact revision.

Recent progress in task-optimized neural networks has established encoding models as a powerful tool for predicting brain responses to naturalistic stimuli, yet most existing approaches rely on unimodal representations. The emergence of omni-modal foundation models and rich multimodal neural datasets enables encoding models that jointly integrate visual, auditory, and linguistic information across subjects. We introduce MIRAGE, a brain encoding framework for predicting whole-brain fMRI responses to naturalistic audiovisual stimuli. MIRAGE achieves state-of-the-art performance via a native multimodal backbone and adaptive feature gating across layers. These representations are then combined with a transformer-based brain encoder and a subject-specific linear head over the cortical parcels. Controlled comparisons show that natively multimodal features consistently outperform post-hoc aggregation of independent unimodal features, across architectural levels and backbones. Beyond predictive accuracy, the learned attention weights are directly inspectable to interpret the modality-specific gating profile over the backbone, and each modality traces a distinct anatomical pattern across cortex. Together, these results propose adaptive layer-wise aggregation of natively multimodal features as a generalizable, interpretable, and accurate approach for whole-brain encoding.

Machine learning (ML) is increasingly used for data-driven modeling of buildings to enable downstream tasks such as fault detection and diagnosis, and energy-efficient control. While recent work improves generalization across building characteristics, weather, and occupancy, generalization also depends on sufficient exploration of the control-driven system state space. Existing real-world datasets and simulation environments predominantly reflect stationary operation under fixed control policies, resulting in limited excitation and reduced robustness to unseen operating conditions. This paper introduces BuilDyn, a package based on BuilDa that enables customizable excitation strategies for control-oriented data generation. BuilDyn further supports sampling from representative building distributions and provides a Python interface for easy integration into machine learning pipelines. We demonstrate the benefits of BuilDyn by comparing the performance of data-driven ML models trained on non-excited and excited data for one building. With BuilDyn, we hope to advance scalable control-oriented modeling and support future directions such as transfer learning and building-specific foundation models.

Post-training quantization (PTQ) is essential for deploying LLMs under memory and bandwidth constraints. However, extreme low-bit quantization remains highly sensitive to activation outliers and anisotropic weight curvature. Existing incoherence-based PTQ methods mitigate this issue with fixed randomized Hadamard transforms (RHTs), which improve quantization robustness but cannot adapt the rotated basis to the layer, calibration distribution, or quantizer. We introduce HARP (Hadamard-preconditioned Adaptive Rotation Processor), a learnable structured two-sided orthogonal processor that replaces fixed Hadamard mixing while preserving exact full-precision equivalence. HARP represents each rotation as a product of sparse butterfly-like block-orthogonal stages, supports non-power-of-two dimensions via Mixed-Radix schedules, and initializes to the RHT processor up to a fixed permutation. Fitted only on calibration data, HARP adapts the quantization basis to each layer and backend. Across 2-4 bit settings on models ranging from 1B to 70B parameters, HARP improves perplexity and zero-shot accuracy over fixed RHT. Importantly, HARP preserves deployment efficiency, reaching 128 tok/s versus 61 tok/s for FP16.

Despite strong average-case performance, deep learning models often exhibit systematic errors on specific population groups, known as error slices. Identifying these groups and the root causes of their failures is critical for model debugging and bias mitigation. However, existing error Slice Discovery Methods (SDMs) typically generate explanations disconnected from the model's inference process, thus only approximating the underlying error source and may be inaccurate. We address this limitation by leveraging Concept Bottleneck Models (CBMs), whose predictions are directly dependent on human-understandable semantic concepts. Since downstream task failures in CBMs commonly arise from concept mispredictions, concept representations provide a strong candidate for error slice identification, offering fine-grained explanations directly linked to the error source. Building on this insight, we introduce CB-SLICE, a concept-based SDM that groups samples with shared concept prediction failures and identifies the keyword concepts most responsible for each slice's failure mode. Across multiple benchmarks, we show that CB-SLICE outperforms state-of-the-art methods in uncovering well-known biases while providing richer and more faithful explanations of model errors.

Data stream processing has become a landmark in modern machine learning applications, with concept drifts and novel class appearances posing the primary challenges faced by sophisticated recognition methods. This work proposes an unsupervised concept drift detection method that identifies shifts in known class distributions based on the reconstruction errors of an autoencoder, while also enabling the recognition of novel class samples through density estimation of a proxy representation of samples. Using mirrored autoencoders allows for independent incremental adaptation to changing problem distributions for the two considered tasks, resulting in continuous adjustment to evolving concepts and reliable recognition of unknown samples. Conducted experiments used a diverse set of synthetic tabular data streams, where both concept drifts and the emergence of novelties were observed. The results show that the proposed approach is competitive with current state-of-the-art unsupervised drift detectors and novelty classifiers.

Leveraging Large Language Models (LLMs) to automatically formulate and solve optimization problems from natural language has emerged as an efficient paradigm for automated optimization. However, existing methods still exhibit limited generalization: they are sensitive to superficial narrative variations, reuse experience mainly at the case level, and struggle to adapt to shifted or emerging problem types. We propose OptSkills, an archetype-centric skill learning and reasoning agent system for optimization modeling and solving. To improve robust generalization, our system clusters problems by their underlying archetypes rather than surface narratives. To improve in-distribution generalization, it explores diverse modeling paradigms and solver configurations within each cluster, then distills successful trajectories into reusable workflow-level skills. To improve out-of-distribution generalization, it refines existing skills or expands the skill library using newly obtained trajectories. Our system achieves a state-of-the-art micro-averaged accuracy of 68.27% on datasets encompassing diverse problem types and scenarios. In addition, on MIPLIB-NL, a highly challenging large-scale and high-dimensional benchmark, it achieves 26.91% accuracy, outperforming DeepSeek-V3.2-Thinking by 4.53%. After skill learning on Nano-CO, it reaches 72.79% on the OOD NLCO benchmark. Code and skills are available at https://github.com/fujiwaranoM0kou/OptSkills.

Graph foundation models (GFMs) aim to reuse a single backbone across diverse graph domains, yet their transfer is often uneven and can exhibit negative transfer. While most prior work improves transfer through architectural or adaptation choices, we ask a data-centric question: which properties of two graph domains determine how much a fixed representation model changes its outputs? Using a graphon-based continuous limit for dense graphs, we show that for both set-based and message-passing tokenizations, any Lipschitz backbone admits an explicit decomposition of cross-domain output shift into (i) graph-specific finite-sample approximation terms and (ii) an intrinsic, relabeling-invariant domain discrepancy capturing structural mismatch. A key ingredient is positional-encoding (PE) stability: we establish stability guarantees for spectral PEs and highlight contrasting behaviors of eigenvector- versus subspace-based PEs. Experiments on synthetic and real graphs validate the theory and translate the decomposition into guidance for data curation in GFM transfer.

This work investigates theoretically the interplay between interpolation and aggregation in regression. We establish that the $γ$-graph dimension characterizes learnability for a broad class of natural aggregation procedures. Furthermore, we prove that an extremely simple aggregation procedure, combining three interpolating hypotheses via the median, is optimal among all these aggregation procedures, and is strictly more powerful than proper learning. Finally, we show that some hypothesis classes are learnable only by aggregating infinitely many hypotheses or by using non-interpolating aggregation rules (which may predict outside the range of their inputs), and any finite interpolating aggregation fails to achieve even trivial performance.

Large-scale text-to-image (T2I) diffusion models have enabled unprecedented creative applications, but their unauthorized use has raised serious intellectual property concerns, making model ownership verification (MOV) increasingly critical. We find that existing backdoor-based diffusion watermarking methods often (implicitly) assume a "faithful" verification process, namely, that the verifier can query a suspicious model and obtain the faithful watermark response to complete MOV. However, in practice, adversaries may intentionally or unintentionally damage potential watermark signals, significantly degrading verification reliability. To address this issue, we propose Cert-LAS, the first certified MOV method for T2I models based on layer-adaptive smoothing. In general, Cert-LAS embeds specified watermarks using diffusion classifiers and an LFS-guided layer-adaptive noise, and verifies ownership by examining whether the suspected model exhibits significantly stronger watermark responses compared to unwatermarked references through hypothesis testing. We further prove that, under certain conditions, our Cert-LAS can still achieve reliable verification even in the presence of malicious removal attacks. Extensive experiments validate the effectiveness of Cert-LAS and its resistance to adaptive attacks. Our code is available at https://github.com/Leyi-Qi/Cert-LAS.

Data quality is a critical factor in the effectiveness of machine learning models. Label errors, present even in widely used benchmarks, introduce noise into training data and reduce model generalization. In this work, we conduct a comparative analysis of two automatic label error detection methods - Confident Learning and Dataset Cartography - on three Russian text classification corpora of varying size, number of classes, and domain: ru_emotion_e-culture (49,123 examples, emotion classification), RuCoLA (8,524 examples, linguistic acceptability), and TERRa (2,337 examples, textual entailment recognition). We use the pre-trained rubert-base-cased model fine-tuned on each corpus. To verify the meaningfulness of filtering, we conduct control experiments with random removal of an equivalent number of examples. Results show that the effectiveness of both methods depends strongly on dataset characteristics: on large corpora with low noise levels, filtering does not improve performance, while on small datasets with high noise, Confident Learning achieves a significant F1-macro improvement. Dataset Cartography demonstrates more conservative behavior, removing fewer examples. Across all corpora, targeted removal by both methods outperforms random removal, confirming the meaningfulness of the approaches.

Graph attention networks learn neighbor importance through data-dependent coefficients, but standard layers lack explicit control over unreliable feature dimensions and use fixed sharpness of attention coefficient distributions. This paper proposes gated graph attention and learnable temperature for common graph attention mechanisms. Gated graph attention filters feature or message responses to reduce the influence of unreliable dimensions, while learnable temperature dynamically adjusts the sharpness of the attention coefficient distribution. Experiments on homogeneous and heterophilic heterogeneous benchmarks show that the proposed variants consistently improve the corresponding graph attention backbones, and controlled noise studies further verify their behavior under feature perturbations. Theoretical analysis explains these results by showing that gating improves robustness when only part of the feature coordinates are reliable, while temperature is beneficial when global noise weakens the discriminability of node features.

Modern open-world agents such as OpenClaw exhibit powerful cross-environment execution capabilities yet introduce broad new safety risk sources. Meanwhile, advanced frontier AI models drastically lower attack barriers, rendering current agent alignment frameworks inadequate for real-world deployment. To tackle these emerging threats, we propose a lightweight and scalable agent safety alignment framework. Specifically, we update the agent safety taxonomy to accommodate emergent risks from Codex and OpenClaw execution scenarios. We further build a taxonomy-guided data engine with influence-function purification to train lightweight AgentDoG 1.5 variants (0.8B, 2B, 4B, and 8B parameters) using only around 1k samples, achieving comparable performance with leading closed-source models (e.g., GPT-5.4). Based on AgentDoG 1.5, we construct a highly efficient agentic safety SFT and RL training environment, which reduces deployment overhead in Docker-level environments by two orders of magnitude. Finally, we deploy AgentDoG 1.5 as a training-free online guardrail for real-time safety moderation. Extensive experimental results indicate that AgentDoG 1.5 achieves state-of-the-art performance in diverse and complex interactive agentic scenarios. All models and datasets are openly released.

Critical sequential decisions are rarely single-timescale: a strategic decision causally shapes the context in which every subsequent tactical choice is made; standard bandit and reinforcement-learning theory does not capture this causal coupling between timescales. We formalise the problem class as Nested Contextual Causal Bandits (NCCBs), a hierarchical SCM where each level's action sets the next level's context distribution, and propose Nested Causal Thompson Sampling (NCTS), which draws one mechanism-factorised belief per episode and acts recursively under it. Our main theoretical result is a causal PAC-Bayesian excess-risk bound that certifies any candidate deployment policy from historic data alone, off-policy and anytime, answering the deployment question: can we trust this agent here, and at what risk? Experiments on a hierarchical SCM show that, against a matched RFF-GP joint regression on the same function class, the factorised SCM-mechanism posterior transfers significantly better zero-shot under exogenous distribution shifts, the recursive meta-to-inner commit significantly dominates the joint-commit alternative in distribution, and the certificate significantly contracts as offline data accumulates. Combining these results, we establish progressive certified handover, a safe-deployment method: each timescale flips from a legacy controller to NCTS when gains can be certified, independently of the others.

Reinforcement learning (RL) refines large language models (LLMs) by directly optimizing model behavior through reward signals. While accurate state value estimation is critical for stable training in classical RL, it remains an underexplored challenge in LLM post-training. In this work, we introduce the State Value Estimation Benchmark (SVEB) to assess state estimation within existing RL frameworks and show that critics in standard approaches like PPO collapse to a coarse group-average baseline. To address this, we propose two techniques: Numca, which leverages numerical spans as gradable milestones for state value estimation, and Hista, a framework that uses LLM's hidden states as representation to weighted average disjoint rollouts and their return. Extensive experiments demonstrate that both methods yield more accurate state value estimates and enhance training performance across different RL algorithms and model sizes without incurring significant computational overhead.

We introduce MMTM, a modular pipeline for topic discovery in long-form video that integrates speech recognition, audio and visual embeddings, and BERTopic clustering through a deterministic similarity-gated fusion. Evaluated cross-lingually on German (Tagesschau) and English (NBC) broadcast news, joint tri-modal modeling substantially improves topic quality: noise drops from 0.27 to 0.06, transition rate from 0.70 to 0.21, and normalized entropy rises from 0.84 to 0.92, indicating more coherent and temporally stable topics. Cluster validity (Calinski-Harabasz) improves by 5-12X across embedding spaces. Lexical coherence (NPMI) rises from 0.77 to 0.86 on German but is corpus-dependent and does not transfer to the shorter NBC broadcasts. We release the pipeline code and a human-validated 54-hour multimodal video topic corpus with dual-annotator visual evaluation and LLM-assisted labeling.

We study the Lipschitz bandit problem, where a learner sequentially maximizes an unknown Lipschitz function $f$ over a domain $\mathcal{X} \subset [0,1]^d$ using noisy pointwise evaluations. Existing regret bounds are either worst-case, scaling as $\tildeΘ \left ( T^{d+1/d+2}\right )$, or adaptive via the zooming dimension $d_z$, yielding $\tildeΘ \left ( T^{d_z+1/d_z+2}\right )$. However, such zooming-based guarantees are only partially instance-dependent, as they depend solely on the asymptotic growth of near-optimal level sets and fail to capture finer structural properties of $f$. We provide an analysis and an algorithm that characterizes the regret through integrals of the suboptimality gap of $f$ over its level sets. This yields regret bounds that adapt to the local growth of level sets, rather than only their asymptotic behavior. As a corollary, when the set of maximizers has dimension $d^\star>0$, we obtain improved adaptive rates of order $\tilde{\mathcal{O}} \left ( T^{d_z+1 / \max(d_z,d^\star)+2}\right )$ strictly improving over classical zooming bounds in this regime. Finally, we extend our analysis to the full-information setting (Lipschitz experts) and show how some of the regularity assumptions can be relaxed.

The impressive performance of generalist large language models (LLMs) such as GPT and Claude in healthcare raises a critical question: will domain-specific medical specialist models become obsolete? We argue that the future of medical artificial intelligence (AI) lies not in building monolithic medical foundation models, nor in replacing human expertise, but in orchestrating collaboration among generalist LLMs, domain-specific specialist models, and clinicians. We propose HetMedAgent, a heterogeneous medical multi-agent framework that enables conflict-aware evidence fusion, uncertainty-based clinician intervention triggering, and adaptive threshold calibration. Experiments on three real-world clinical decision-making tasks demonstrate that the synergy between generalist LLMs and domain-specific specialist models significantly outperforms using either type of model alone, validating the irreplaceable value of specialist models in modality-specific analysis. HetMedAgent represents a shift from building medical LLMs or foundation models to multi-agent collaboration, achieving a balance between general reasoning capabilities and domain-specific precision.

High-density electroencephalography (HD-EEG) enables fine-grained measurement of cortical activity but requires expensive hardware and lengthy setup times, limiting its clinical and research accessibility. We propose EMAG (EEG Mixture of Anisotropic Gaussians), a differentiable framework that reconstructs HD-EEG signals from a sparse subset of low-density (LD) electrodes by representing brain electrical sources as a mixture of anisotropic 4D space-time Gaussians. EMAG places a mixture of multiple Gaussians at each point of a spherical brain grid, each parameterized by a full 4 x 4 precision matrix, enabling anisotropic spatial spreads and explicit coupling between spatial and temporal dimensions. The forward model renders scalp EEG via differentiable Gaussian field contributions at electrode locations, enabling end-to-end training without explicit source localization supervision. We evaluate EMAG on three public EEG benchmarks (Localize-MI, SEED, and SEED-IV) at super-resolution factors of 2x through 8/16x. EMAG outperforms the current state-of-the-art EEG super-resolution method at most super-resolution factors on three standard benchmarks (Localize-MI, SEED, SEED-IV). The explicit Gaussian parameterization further enables direct visualization and interpretability of learned brain source configurations, potentially opening avenues for clinical and neuroscientific applications, such as source localization or biomarker discovery.

We introduce scheming honeypot evaluations, a framework for testing whether models will pursue instrumental goals if given the opportunity. Our scheming honeypot evaluations take the form of coding tasks in Google's alignment research codebases. In a real internal deployment setting, Gemini models do not demonstrate unprompted scheming. If prompts explicitly encourage agency (situational awareness or goal-directedness) and/or give the model a hidden goal, models sometimes scheme or attempt sabotage. Validating the realism of our setting, models show low rates of evaluation awareness, usually due to agency prompts rather than the environments.

Block-diffusion drafters have recently emerged as a powerful alternative for speculative decoding by predicting multiple future-token distributions in a single parallel step. However, since these parallel predictions are sampled from position-wise marginals rather than fully conditioned sequences, committing to a single greedy path often fails to capture the target model's preferred trajectory. To address this, we propose BASTION, a budget-aware speculative decoding framework with tree-based diffusion drafting. Unlike existing methods that rely on static tree topologies, BASTION dynamically constructs query-dependent trees by balancing draft quality against hardware constraints. Our framework integrates three synergistic components: (1) an acceptance surrogate that estimates expected accepted length via path confidence, (2) an online latency estimator that calibrates a hardware-aware roofline model, and (3) an adaptive best-first expansion that grows the tree until marginal gains no longer justify incremental verification costs. BASTION is training-free, preserves the target model's distribution, and requires no per-setting tuning. Across diverse benchmarks and GPU architectures, BASTION achieves up to a 6.61x speedup over standard autoregressive decoding, outperforming state-of-the-art block-diffusion baselines by 39%.

We propose Intrinsic Quality (IQ), a validation-free metric designed to estimate the inherent potential of face recognition (FR) datasets to produce high-performance models without the need for full-scale training. IQ integrates two components: (i) a Neighbor-Consistency Score that quantifies local identity label agreement via nearest neighbors, and (ii) Global Representation Subspace Complexity (Effective Rank, ER), which captures the underlying embedding geometry and dataset diversity. IQ allows for rapid evaluation using lightweight proxy models or data subsets, facilitating dataset diagnosis and curation prior to resource-intensive full-scale training. We describe an experimental protocol tailored to clean, noisy, and mixed-quality FR datasets, and outline evaluation methodologies to validate IQ's predictive power for downstream performance.

This book provides a compact, derivation-oriented introduction to the mathematical foundations of modern generative artificial intelligence. Rather than surveying every recent architecture or implementation detail, it develops a coherent route through the ideas connecting major families of generative models, from PCA, probabilistic PCA, variational autoencoders, and diffusion models to normalising flows, autoregressive factorisations, GANs, Wasserstein GANs, and energy-based models. The aim is to make the structure of generative modelling more accessible without removing the mathematical substance needed to understand how these models are derived and related. The book is intended as a foundation-building primer for mathematically curious researchers, practitioners, and students.

Machine learning for molecular property prediction has focused largely on pure compounds, even though many practical applications depend on mixtures with intermolecular interactions. Recent work has expanded the availability of mixture datasets, but evaluation still focuses mainly on absolute accuracy. However, absolute errors in mixtures conflate pure-component contributions with deviations from ideal mixing. We propose an evaluation framework that decomposes mixture-property error into pure-compound and interaction (non-ideal) components. The framework combines leakage-aware split protocols, ideal-mixture baselines, and excess-property metrics. To support reproducible benchmarking, we curate seven matched pure and mixture physicochemical property datasets. Across multiple mixture-property tasks and model families, we find that strong absolute accuracy can mask poor recovery of non-ideal mixture behavior, and that performance drops substantially under strict molecule splits. These results identify transfer to unseen molecules as a central challenge in molecular mixture machine learning and motivate evaluation beyond absolute accuracy alone.

Approximately 10% of newborns require assistance to initiate breathing at birth, and around 5% need ventilation support. Fetal heart rate (FHR) monitoring plays a crucial role in assessing fetal well-being during prenatal care, enabling the detection of abnormal patterns and supporting timely obstetric interventions to mitigate fetal risks during labor. Applying artificial intelligence (AI) methods to analyze large datasets of continuous FHR monitoring episodes with diverse outcomes may offer novel insights into predicting the risk of needing breathing assistance or interventions. Recent advances in wearable FHR monitors have enabled continuous fetal monitoring without compromising maternal mobility. However, sensor displacement during maternal movement, as well as changes in fetal or maternal position, often lead to signal dropout, resulting in gaps in recorded FHR data. Such missing data limits the extraction of meaningful insights and complicates automated (AI-based) analysis. Traditional approaches to handling missing data, such as simple interpolation techniques, often fail to preserve the spectral characteristics of the signals. In this paper, we propose a masked transformer-based autoencoder approach to reconstruct missing FHR signals by capturing both local temporal and frequency components of the data. The proposed method demonstrates robustness across varying durations of missing data and can be used for signal inpainting and forecasting. The proposed approach can be applied retrospectively to research datasets to support the development of AI-based risk algorithms. In the future, the proposed method could be integrated into wearable FHR monitoring devices to achieve earlier and more robust risk detection.

Urban traffic congestion is a growing global issue contributing significantly to long commute times and environmental pollution. Traditional traffic signal control systems often fail to adapt to dynamic traffic conditions. Adaptive traffic signal control can improve urban traffic without changing road infrastructure. Deep Reinforcement Learning (DRL) has shown strong performance for this task, but existing delay and queue-based rewards often produce short-sighted or unstable policies. This paper proposes a Momentum-Based Reward Function (MBRF) that encourages vehicles to keep moving rather than penalizing congestion alone. The method is evaluated in SUMO (Simulation of Urban MObility) using standard traffic metrics such as waiting time, queue length, throughput, and CO2 emissions. Results show that the proposed reward produces better throughput-emission trade-offs and more stable learning behavior than delay or queue-based rewards, as well as classical controllers such as Max Pressure and LQF.

This paper presents the Tensor Product Network (TPNet), a novel neural architecture for efficient and accurate function approximation and PDE solving. The core of the proposal involves constructing the solution explicitly as a linear combination of basis functions integrated into the network, with coefficients determined by a direct least-squares solve, thereby bypassing traditional gradient-based training. The key methodological contribution include: (1) an efficient tensor-product scheme that generates multi-dimensional basis functions from combinations of two sets of subnetwork outputs, significantly reducing model complexity and parameter count while maintaining expressivity; (2) a block time-marching strategy to improve computational efficiency in long-time simulations; and (3) a linear reformulation strategy for handling nonlinear PDEs by treating known nonlinear terms as sources. TPNet achieves superior accuracy and shorter training times than conventional neural network solvers. This performance gain stems from its structured design and deterministic least-squares fitting, which contrast with the iterative, often computationally intensive optimization required by mainstream methods like Physics-Informed Neural Networks (PINNs).

The scaling limit where both the size of the training set $P$ and the width $N$ of a deep neural network grow at the same rate, the so-called proportional-width regime, has been intensely studied for shallow, single-hidden-layer networks. However, extending these non-perturbative results from shallow architectures to deep non-linear networks has proven very challenging. Here we present an effective approximate approach to predict the generalization performance of Bayesian multi-layer perceptrons (MLPs) of fixed depth $L$ on arbitrary high-dimensional data. We propose an equivalent Wishart Ansatz to capture the dominant stochastic fluctuations of the hierarchical empirical kernels of MLPs. This allows us to perform a large deviation analysis for the partition function of MLPs in the proportional limit, expressed in terms of a renormalized NNGP kernel. In this description, even strong representation learning in the proportional limit is encoded in at most $L$ scalar order parameters, determined self-consistently. Extending the approach to convolutional architectures (CNNs), we identify a hierarchical local kernel renormalization mechanism, which allows to quantify more complex data-dependent transformations of the large-width kernel in CNNs due to finite-width effects. We test our effective theory against sampling experiments from the Bayesian posterior of finite deep neural networks with depths $L \sim O(10)$ and $P\sim O(10^3)$ on classic benchmark datasets, finding overall very good agreement together with two distinct types of systematic deviations.

Reconstruction-based inference assigns a class by comparing class-wise reconstruction residuals; Sparse Representation Classification (SRC) is a canonical instance whose reliability depends on the geometry of the learned representation. We adopt a strict training-inference separation: SRC is used only as a fixed test-time rule and is never differentiated, unrolled, or optimized during training. In a span-level idealization based on class-conditional spans and their associated projection residuals, we formalize residual-ordering stability through a residual margin and characterize geometric obstructions -- span overlap, dominance, and near-overlap via small principal angles -- that can collapse this margin in worst-case directions. This span-level theory is primary: it specifies when the idealized residual family is well-separated, and it provides a conditional solver-level interpretation for practical residual approximations (e.g., OMP) insofar as they remain close to the span-level residual ordering. Under explicit coverage and separation assumptions, we derive a quantitative lower bound on the (idealized) residual margin. Guided by these targets, we propose geometry-shaping objectives that promote masked within-class self-expressiveness, discourage cross-class reconstruction pathways and inter-class span alignment, and prevent collapse -- without invoking SRC residuals or predictions during training. Experiments on images (COIL-100), text (TREC), and EEG connectivity evaluate all representations under identical fixed SRC/OMP inference and report residual margins and geometric diagnostics; cross-entropy is included only as a reference geometry under the same evaluation protocol.

Pipeline parallelism is essential for large-scale model training, but existing asynchronous approaches often degrade convergence due to parameter mismatch between forward and backward passes. We propose Asynchronous Multi-Directional Pipeline parallelism (AMDP) to mitigate this issue while sustaining high utilization. AMDP limits the first stage of each pipeline to process at most two minibatches before backpropagation, bounding the number of parameter updates between forward and backward passes. To alleviate the resulting pipeline bubbles, AMDP launches multiple concurrent pipelines and adapts their number according to pipeline depth. In addition, AMDP accumulates gradients across minibatches and applies them in a single update, ensuring that only a bounded number of minibatches experience parameter mismatch, limited to within one optimization step. Experiments on GPT- and BERT-style models demonstrate that AMDP significantly accelerates training while preserving convergence.

Real-time safety filtering for large language model (LLM) applications requires classifiers that can detect unsafe prompts, toxic language, jailbreak attempts, and unsafe responses without the cost profile of large guardrail models, and that can distinguish benign sensitive text from genuinely covert harmful content. In this paper, we introduce Opir, a family of encoder-based guardrail models built on the GLiClass architecture. Opir includes multi-task models for binary safe/unsafe classification, multi-label toxicity classification, jailbreak classification, and zero-shot unsafe prompt and response categorization. We also release edge variants with fewer than 100M parameters dedicated to binary safe/unsafe categorization. The models are trained on a three-level taxonomy containing 996 categories across 16 top-level labels, 126 mid-level labels, and 854 leaf labels. Opir's training data combines taxonomy-grounded unsafe prompts, adversarially mined hard negatives, benign safety-preserving examples, generated response examples, multilingual translations, and portions of the Aegis2 and WildGuard training subsets. We also open-sourced an evaluation harness that supports GLiClass and GLiNER2 backends as well as decoder-based models, and covers binary safety classification, multi-label categorization, toxicity, jailbreak detection, prompt safety, response safety, response refusal, and prompt subcategory views across public benchmark families. Across an expanded comparison spanning 12 safety-classification tasks and 17 category tasks against eight contemporary guardrail systems -- including both GLiNER2-based and generative guardrail models -- Opir variants are competitive on or ahead of the strongest open-weight baselines on the majority of benchmark datasets while operating with a substantially smaller deployment footprint.

We study contextual bandits in the stochastic i.i.d.\ setting, where a learner observes contexts drawn from an unknown distribution, selects actions from a finite set $A$, and aims to identify an approximately optimal policy from a given class based on bandit feedback. Motivated by bandit multiclass classification with zero-one rewards, we focus on the \emph{$s$-sparse} setting in which, for every context, the reward vector has $L_1$-norm at most $s \ll |A|$. Our main result is the design of algorithms that, with high probability, output an $ε$-optimal policy compared to policy class $Π$ using $\tilde{O} ((s/ε^2 + |A|/ε)\log |Π|/δ)$ samples. We extend this bound to general Natarajan classes and complement it with a matching lower bound (up to logarithmic factors), thereby closing a substantial gap left by prior work (Erez et al., 2024, 2025), which incurred an additional $Θ(|A|^9)$ dependence. We obtain these results via two complementary approaches. First, we analyze contextual bandits through the lens of contextual decision making with structured observations, designing an exploration-by-optimization algorithm whose sample complexity is governed by the \emph{decision-estimation coefficient} (DEC; Foster et al., 2021, 2022). We show that, with $s$-sparse rewards, the induced model class admits a sharp DEC bound that scales with $s$ and directly yields the optimal rate. Since this approach is largely information-theoretic and involves solving complex min-max optimization problems, we also develop a second, more specialized algorithmic method based on a low-variance exploration technique. This approach leads to concrete, tractable algorithms and naturally extends to contextual combinatorial semi-bandits, leading to improved sample complexity guarantees for bandit multiclass list classification.

In federated language modeling, $K$ nodes each hold $n$ samples but cannot pool data or exchange full-precision gradients or weights. We study the minimax rate at which a conditional distribution over $V$ tokens can be estimated when each node may upload at most $B$ bits per query in a public probe set. In federated probe-logit distillation (FPLD), each node transmits a scalar-quantized logit vector on the probe set, and an aggregator distills a global parametric student. Prior work (Dubey and Huo, 2026) establishes a high-probability KL rate $O(d/(Kn) + ρ\sqrt{V \log V / m} + K^{-1} \cdot 2^{-2B/V})$ plus optimization slack, with the bandwidth term in its trace-sharpened form. Whether this bandwidth-term rate is tight, and how the upper bound generalizes to heterogeneous per-node bandwidths, are left open. We close both gaps. First, the dithered FPLD construction has a matching single-round lower bound $Ω(K^{-1} \cdot 2^{-2B/V})$ under non-degeneracy, pinning the bandwidth-axis rate at $Θ(K^{-1} \cdot 2^{-2B/V})$. $T$-round sequential refinement with nested/scaled residual quantizers achieves $O(K^{-1} \cdot 2^{-2TB/V})$; vanilla FPLD's $T$-independent bandwidth term is suboptimal for every $T > 1$. Second, we establish a heterogeneous-bandwidth upper bound for per-node budgets $B_i$, paired with a closed-form optimal allocation $B_i^* = B_{\mathrm{tot}}/K + (V/2) \log_2(w_i / \bar{w}_g)$, a log-tilted water-filling rule that is the per-node analogue of reverse water-filling for distortion-rate optimization. A plug-in adaptive variant estimates the weights from a short warm-up phase and attains $1 + O(\sqrt{\log(K/δ)/(m T_0)})$ relative suboptimality. Synthetic n-gram simulations confirm that empirical KL is bracketed by the upper and lower bounds and that the optimal allocation strictly dominates uniform and inverse-weighted baselines under heterogeneous clipping.

In this paper, we study a structured class of nonconvex constrained stochastic problems with difference-of-convex (DC) regularization, where the feasible set is possibly nonconvex and the concave part of the DC regularizer is allowed to be nonsmooth. The fundamental challenge lies in maintaining feasibility for nonconvex constraints while achieving favorable oracle complexity. Although single-loop algorithms efficiently solve unconstrained DC optimization problems, their potential for constrained optimization with DC structure remains largely unexplored. To address this gap, we develop MoSSP, a Momentum-based Single-loop Stochastic Penalty method for such problems with provable complexity guarantees. The key idea is to apply a single stochastic proximal-gradient step to the Moreau envelope of the penalty plus the convex DC part, with the concave part's proximal mapping computed in parallel. We derive two algorithm variants: a Polyak-momentum version with $O(\varepsilon^{-4})$ oracle complexity for finding stochastic $\varepsilon$-KKT points, and an improved $O(\varepsilon^{-3})$ version incorporating recursive momentum. Experimental results demonstrate the effectiveness of the proposed algorithms.

Transformer hidden states are often interpreted through local or low-order objects: neurons, sparse features, attention heads, residual-stream directions, or activation patches. This paper studies a complementary object: the rank-indexed geometry of relations among token tuples. I use Plucker sign entropy to test whether r-argument relations leave arity-matched orientation signatures in hidden-state space. Across Llama-family 8B, 70B, and 405B checkpoints, true relation tuples show stronger orientation-sign consistency at the expected rank k=r for r=3,...,6 than scrambled tuples under matched random-control audits. Multi-template audits show that the effects survive surface variation, with all tested 405B rows retaining positive expected-rank margins and 8B/70B retaining positive rows with constructor-specific mixed cells. I then ask whether the same relation geometry can be steered. In an edge-grid clean/corrupt intervention assay over 32 prompts, the row/column scaffold and answer format stay fixed while the YES/NO relation map changes, and the corrupt hidden-state relation frame is patched toward clean or placebo targets. In 70B and 405B, clean-targeted relation-frame paths recover clean-answer behavior and residual relation geometry, while centroid-only and equal-norm controls show negligible recovery. Site/order controls further separate marker-site importance from ordered clean-frame geometry: target clean shape and cross-prompt clean shape recover behavior and residual geometry at the marker interface, whereas corrupt-donor transfer, same-site permutation/reflection, wrong-site clean deltas, centroid-only motion, and equal-norm noise fail or remain far below clean-frame paths. The result is a controlled bridge from relation probing to relation-frame intervention: relation rank geometry can be detected, targeted, and behaviorally validated in transformer hidden states.

Contrastive Language-Audio Pretraining (CLAP) models are widely used for audio understanding and support modality-agnostic condition swapping in many zero-shot applications. However, their performance is heavily affected by the modality gap between audio and text embeddings. Existing explanations mainly attribute this gap to the cone effect, treating it as a shift between mean embeddings, yet correcting the mean alone yields only limited improvements. Alternative hypotheses, such as information imbalance and dimensionality collapse, have also been proposed, but they remain insufficiently verified and have not been thoroughly studied in the audio domain. Meanwhile, several works attempt to decompose multimodal contrastive embeddings into interpretable concepts, but none explicitly analyze the modality gap from the perspective of concept decomposition. In this work, we introduce COMET (Concept space Organization and Modality gap Explanation with PLS-SVD Transformation), a novel partial least squares singular value decomposition (PLS-SVD) framework for CLAP that unveils a broader perspective of the modality gap. Our framework reveals that only a small, interpretable subset of axes, which captures shared concepts, contributes substantially to similarity computation, and that the mean component represents only partially the modality gap. Building on this insight, we propose a simple spectral truncation method that mitigates the modality gap in a training-free manner. The method enables zero-shot audio captioning with condition swapping to approach fully supervised performance, without requiring large auxiliary memory banks or expensive computation. At the same time, it achieves substantial embedding dimensionality reduction while preserving strong performance on retrieval and audio captioning tasks.

Coupled-cluster (CC) theory is often considered the gold standard of quantum chemistry, but its high computational cost limits routine access to accurate energies, forces and response properties. While the right-hand $T$-amplitudes determine the correlated wavefunction, many practically important observables additionally require the left-hand $Λ$-amplitudes. We introduce MōLe-$Λ$, an extension of Molecular Orbital Learning (MōLe) that predicts the full ground-state coupled-cluster singles and doubles (CCSD) response state by jointly learning right-hand amplitudes $(T_1,T_2)$ and left-hand amplitudes $(Λ_1,Λ_2)$ from localized Hartree--Fock molecular orbitals. Architecturally, MōLe-$Λ$ extends MōLe with $Λ_1$ and $Λ_2$ readouts that mirror the symmetry constraints of the $T_1$ and $T_2$ heads, while preserving the original equivariant orbital encoder, odd sign-equivariant decoding, locality and size-extensivity. The resulting model yields accurate CC-quality energies and forces, while simultaneously recovering dipoles, quadrupoles, polarizabilities, the electron density, and 2-electron observables such as the pair density. We show that MōLe-$Λ$ further extends the speed advantage of MōLe over full CCSD while substantially expanding the accessible properties, providing a route to wavefunction-level surrogate models for correlated quantum chemistry.

In scene graph generation, a central challenge is modeling polysemous predicates whose meanings shift across contexts. Prior approaches address this issue by decomposing predicates into multiple static prototypes or retrieving semantically similar exemplars. However, these strategies keep predicate representations static and cannot reorganize semantics to reflect image-specific evidence, leading to systematic confusions in ambiguous contexts. We propose AlignG, which learns context-conditioned predicate semantics via prototype feedback. AlignG infers context-conditioned predicate semantics from the relation candidates within each image and feeds the adapted semantics back to recalibrate relation representations. The learning objective anchors this adaptation to global semantic centers, preventing semantic drift while still allowing selective reorganization when the scene provides consistent relational cues. Experiments on VG-150 and GQA-200 show consistent improvements over state-of-the-art baselines, with F@100 improvements of +1.4 on VG-150 and +2.7 on GQA-200 under SGDet. We further visualize per-image prototype similarity shifts and observe coherent context-dependent reorganization where prototypes selectively merge or separate predicates according to scene evidence. The code is available at https://github.com/Namgyu97/AlignG-SGG.pytorch.

Masked diffusion language models (MDLMs) enable parallel decoding by predicting all masked positions at each denoising step, yet existing training-free samplers usually decide which positions to commit at token-level granularity. We revisit this granularity and observe that reliable predictions often emerge as contiguous high-confidence spans, suggesting that the unit of parallel commitment can be larger than a single token. We first group adjacent high-confidence candidates into confidence-induced clusters (CICs) as span-level update units. We then use self-attention maps from the same forward pass to estimate inter-cluster dependencies, enabling conflict-aware selection of mutually compatible CICs for parallel commitment. This yields CLAD (Cluster-Level Attention-Guided Decoding), a training-free cluster-level decoder for MDLMs. Experiments on LLaDA and Dream model families across four reasoning and code-generation benchmarks show that CLAD achieves 1.77x--8.47x speedups over Vanilla decoding while maintaining broadly comparable task accuracy in most settings.

As autonomous agents become more capable of performing real-world tasks, distinguishing scheming behavior from benign task pursuit may become a central AI control problem. Existing monitors often rely on chain-of-thought access or internal activations, or use prompted frontier models, all of which can be unavailable, unreliable or expensive in deployment. In this work, we study action-only deliberative monitors: smaller open-weight models trained to detect scheming and sabotage from agentic trajectories without accessing the monitored agent's reasoning or model internals. Our method, inspired by deliberative alignment, uses a scheming specification to elicit structured rationales from a frontier teacher, filters them with a separate judge, and distills the highest-quality rationales into open-weight monitors with supervised fine-tuning and reinforcement learning. We train on five datasets, and evaluate across six out-of-distribution agentic misalignment benchmarks. We show that applying our method to Qwen3.5-27B yields higher performance than all low-cost frontier models as prompted monitors (Gemini 3.1 Flash-Lite, GPT-5.4 Nano, and Claude Haiku 4.5) and than Gemini 2.5 Pro, while also achieving lower marginal inference cost (token-metered USD per 1,000 evaluations). Stronger prompted frontier monitors (Gemini 3.1 Pro, GPT-5.4, Claude Sonnet 4.6, and Claude Opus 4.6) achieve higher performance but at roughly $16$--$34\times$ higher marginal inference cost. Several of our trained monitors are positioned on the empirical cost--performance Pareto frontier among the monitors we evaluate, providing practical low-cost, low-FPR alternatives to prompted frontier models.

In transcriptomics, gene-set-aware factorization methods such as the Pathway Level Information Extractor (PLIER) are most effective when trained on large, heterogeneous expression compendia. Yet, many clinically relevant cohorts cannot be pooled into a single dataset due to privacy and governance constraints. We present FPLIER, a federated extension of PLIER that enables distributed training across multiple data holders while incorporating publicly available datasets. Through secure aggregation, FPLIER produces training updates algebraically equivalent to those of a centralized pooled-data approach while keeping expression data local. We evaluate FPLIER across multiple scenarios in two simulated consortia (from the K-CLIER and MultiPLIER studies) and demonstrate stable convergence. We further conduct a systematic analysis of membership inference attacks targeting both intermediate training statistics and the released model. Our results show that privacy risk is governed by the rank of the training expression matrix. Incorporating public data or reducing data dimensionality increases this rank, moving the system toward a full-rank regime in which training and non-training samples become indistinguishable to the attacker, and membership-inference performance approaches random guessing.

The distortion-perception (D-P) tradeoff is a fundamental phenomenon of Bayesian inverse problems, which characterizes the inherent tension between distortion performance and perceptual quality. Enabling flexible traversal of the D-P tradeoff at inference time is crucial for practical applications. Despite the recent success of diffusion models in zero-shot inverse problem solving, efficient and principled strategies for D-P traversal in diffusion-based inverse algorithms remain inadequately characterized. In this paper, we propose a stage-wise framework for realizing D-P traversal using a single diffusion model in zero-shot inverse problems. Our proposed method, termed MAP-RPS, starts with an MAP estimation stage that approximates the MMSE solution and provides a low-distortion initialization, followed by a re-noised posterior sampling stage that progressively improves perceptual quality. We provide theoretical analyses for both stages, establishing the validity and effectiveness of the proposed design. Furthermore, we extend MAP-RPS to the latent space, yielding LMAP-RPS, which enjoys broader applicability by leveraging large-scale pre-trained latent diffusion backbones. Extensive experiments demonstrate that MAP-RPS and LMAP-RPS enable more effective D-P traversal on various tasks, while also exhibiting strong performance as efficient solvers for real-world inverse problems.

With the rise of tabular foundation models alongside traditional models still performing well on many tasks, choosing the right model for a tabular dataset remains difficult. We investigate whether dataset meta-features can explain performance gaps between model families on tabular prediction tasks. Using the TabArena benchmark results, we analyze dataset-level performance gaps and relate them to model-agnostic dataset descriptors. After strict statistical tests with false discovery control, we find that (1) for neural network vs. tree gaps, no meta-feature survives false discovery control, (2) for non-foundation vs. foundation model gaps, one association is robust but does not generalize when tested in leave-one-dataset-out prediction, and (3) for TabICLv2 vs. TabPFN-2.6, one robust association also improves held-out prediction. Furthermore, we conduct a leave-one-dataset-out analysis and find that meta-feature predictors fail to improve meaningfully over a simple baseline. Overall, our results show the heterogeneity of tabular datasets and that global meta-feature approaches are not robust enough to offer explanations on the 51 TabArena datasets.

World models have enabled interactive exploration of game environments and robotic manipulation, but physical engineering remains beyond their reach: real materials exhibit nonlinear constitutive laws, carry history-dependent internal state, undergo inertial dynamics, and may possess hierarchical structures spanning multiple length scales. We present LEIA (Learned Environment for Interactive Architected materials), a world model that lets engineers apply boundary conditions step by step and observe the resulting deformation and stress fields in real time. LEIA handles large three-dimensional unstructured meshes and generates autoregressive responses to user-specified loading. We introduce MicroPlate, a benchmark of architected plates spanning two regimes of microstructure modeling: architected lattices that resolve microstructure explicitly through three-dimensional geometry, and a homogeneous plate where microstructural change is modeled implicitly through internal degrees of freedom. MicroPlate is used to assess LEIA alongside four baseline methods across both regimes. Finally, we demonstrate that LEIA enables efficient candidate generation and ranking for fast surrogate-guided search for de novo designs of architected materials, with stress-accurate candidate ranking validated by finite element ground truth.

Traditional insurance pricing relies on risk-based principles that ensure actuarial fairness and solvency but do not explicitly account for policyholders' price sensitivity. We formulate insurance pricing as a decision-making problem and study it using tools from off-policy evaluation and stochastic control. We propose a kernelized inverse propensity score estimator that exploits local structure in the action space and yields variance reduction compared to the classical inverse propensity score estimator. Building on these value estimates, we investigate policy optimization and present two practical approaches for computing optimal pricing rules: an interpretable data-shared Lasso formulation and a flexible policy parameterization based on neural networks. Using a controlled synthetic travel insurance environment, we empirically confirm the theoretical results and show that neural networks outperform existing techniques for policy optimization.

Despite recent progress in backdoor attacks, existing methods remain susceptible to post-training defenses that erase the backdoor through fine-tuning or pruning. We revisit the core objectives of backdoor attacks and derive principled criteria characterizing optimal sample-specific trigger construction under a Bayes-optimal model of the victim's training. Our analysis reveals that both attack success and clean-accuracy preservation are simultaneously optimized when triggered samples are steered into low-density regions of the clean data distribution, a distributional condition that controls all moments of the poisoned distribution at once rather than a handful of input-space summary statistics. We introduce a bilevel optimization framework that estimates density ratios via conditional time-score matching and optimizes a mixture-model objective to place triggered samples in these sparse regions. Extensive evaluations on MNIST, CIFAR-10, GTSRB, and TinyImageNet demonstrate that our method achieves above 99\% attack success rate before defense and retains 50--85 percentage points higher post-defense ASR than the strongest baselines under fine-tuning defenses. Against neuron-pruning defenses, the method exhibits complete immunity, with zero neurons identified for removal across all pruning thresholds. These results expose a fundamental gap in current defense paradigms and underscore the need for defenses that operate beyond the support of the clean distribution.

Discrete visual tokenizers translate images into ordered sequences of codes, providing a natural representation for structural description of scenes. Yet existing adaptive tokenizers either require post-hoc search or select among a discrete set of pre-trained rates, rather than learning a continuous per-image sequence length coupled to the model and scene, and they typically train against pixel reconstruction, emphasizing texture rather than structure. We propose STROP, a discrete visual tokenizer architecture that forms structural scene representations and simultaneously learns how long an image's visual program should be. Using a four-phase curriculum supervised by local rate--distortion probes against frozen DINOv3 features, STROP optimizes a dedicated length head that estimates the active prefix length in a single forward pass. By bypassing pixel-level reconstruction gradients, the codebook is shaped entirely by the quality of higher-level latent representations. Program length grows with scene complexity, and signs of compositional structure emerge both in downstream dense-prediction transfer and in direct inspection of the learned code vocabulary.

Training loss and accuracy are the standard signals used to monitor generalization during deep neural network training. Two well-documented phenomena complicate this picture: in grokking, train loss falls rapidly while test performance improves abruptly only after a long delay; in epoch-wise double descent, train loss decreases monotonically while test loss or error rises and falls. Existing accounts are often task-specific, and a task-agnostic analysis framework for diagnosing and explaining these phenomena across realistic tasks and architectures is missing. We address this challenge by analyzing two competing processes that underlie learning dynamics: representation learning in the encoder and readout calibration in the final classifier. Using tools from representational geometry, neural tangent kernels, and linear probing, we show that both processes are active throughout training, with the fluctuations of their relative speed giving rise to seemingly anomalous generalization dynamics. Applying the representation-readout decomposition to grokking across a wide range of tasks and architectures, we find that the readout is train-biased before grokking onset, and representation learning is gradual but not absent, contrary to the lazy-to-rich account. The framework further provides diagnostic signatures distinguishing spurious from genuine generalization: in a previously reported MNIST grokking example and an epoch-wise double descent example, apparent delayed or non-monotone generalization is shown to arise from representation degradation and readout misalignment induced by non-standard training recipes. Together, these results establish the representation-readout decomposition as a top-down framework for understanding learning dynamics and revealing underlying algorithms for interpretability research.

Diffusion models can unintentionally memorize training samples, raising concerns about privacy and copyright. While recent methods can detect memorization, they often rely on global or model-specific signals and provide limited insight into where memorization appears within a generated image. We provide a geometric characterization of local memorization as a coordinate-wise variance collapse. However, such collapse can also arise from intrinsic data constraints rather than overfitting. To isolate overfitting-driven memorization, we propose curvature-difference methods that subtract the curvature of an underfitted baseline, either the unconditional model or a less-trained version of itself. We further derive a score-difference proxy that provides a geometric explanation for the widely used score-difference-based detection metric. Experiments on Stable Diffusion, evaluated against ground-truth memorization masks, show that our method outperforms the prior attention-based localization method. Code is available at https://github.com/Gwangho99/mem-curv-diff.

The known stylistic biases in LLM judges, such as a preference for verbosity or specific sentence structures, present an underexplored security vulnerability. In this work, we introduce BITE (BIas exploraTion and Exploitation), a black-box adversarial framework that learns semantics-preserving edits to mislead an LLM judge and artificially inflate the scores it assigns. We cast the selection of stylistic edits as a contextual bandit problem and use a LinUCB policy to adaptively choose edits that maximize the judge's score without access to model parameters or gradients. Empirically, we test BITE across a diverse range of LLM judges and tasks, including both pointwise and pairwise comparisons on chatbot leaderboards and AI-reviewer benchmarks. BITE achieves an attack success rate exceeding 65% and raises scores by 1-2 points on a 9-point scale, all while preserving semantic equivalence. We further assess the attack's stealthiness, showing that BITE evades standard style-control methods and several detection baselines. Our findings expose a fundamental weakness in the LLM-as-a-judge paradigm and motivate robust, attack-aware evaluation. Our code is available at https://github.com/xianglinyang/llm-as-a-judge-attack.

We present Paris 2.0, the first video generation model pre-trained through decentralized computation. Its training recipe builds upon Paris 1.0 (arXiv:2510.03434), the first ever open-weight Decentralized Diffusion Model (DDM), which showed that image generation can be trained without a monolithic GPU cluster. However, temporally coherent video generation had remained an open problem under decentralized training, and Paris 2.0 closes it. In low-resolution text-to-video training, against a monolithic model trained on the same data under a matched total compute budget, Paris 2.0 cuts Frechet Video Distance (FVD) from 561.04 to 279.01, a ~2.0x improvement, and lifts CLIP text-video similarity and aesthetic score.

The $2 \rightarrow q$ norm of a matrix $X \in \mathbb{R}^{n \times d}$ is defined as $\lVert X \rVert_{2 \rightarrow q} = \sup_{\lVert v \rVert_2 = 1} \lVert Xv \rVert_q$. We give polynomial-time multiplicative approximation algorithms for this norm when $q > 2$ (i.e. in the hypercontractive setting). This problem either directly captures or is closely related to long-standing open problems in combinatorial optimization and hardness of approximation (e.g. Small Set Expansion), quantum information (e.g. Best Separable State), and algorithmic statistics. Very little is known about what approximation factors we can achieve for this problem in polynomial time, even though such approximations have significant downstream consequences. Barak, Brandão, Harrow, Kelner, Steurer, and Zhou showed that no polynomial-time algorithm can achieve an approximation factor better than $2^{\sqrt{\log n}}$, assuming the Exponential Time Hypothesis (FOCS'12). On the other hand, a simple spectral algorithm gives a $d^{1/4}$-approximation as a baseline. We give, to the best of our knowledge, the first polynomial-time approximation algorithm beating this baseline by polynomial factors. For the important special case of $q = 4$ it achieves a $d^{1/8}$-approximation. All previous algorithms required additional assumptions on $X$, or only surpassed the baseline for small values of $n$. Moreover, we construct sum-of-squares certificates for the $2 \rightarrow q$ norm. This directly implies improved algorithms for robust mean and covariance estimation, robust regression, and clustering, when the data only satisfies a bound on its $q$-th moment.

Human egocentric video captures rich manipulation demonstrations without any robot hardware, yet transferring these skills to robots remains challenging due to the embodiment gap between human and robot in both visual appearance and kinematics. We present HumanEgo, a framework that bridges the embodiment gap by lifting each human demonstration to an entity-level representation of hand-object interaction, and training a flow matching policy with dense auxiliary objectives that amplify supervision from every trajectory. HumanEgo is robot-data-free, hardware-agnostic, data-efficient, and zero-shot human-to-robot transferable. With only 30 minutes of human videos per task, HumanEgo achieves 92.5% average success across four real-world tasks (75% with just 15 minutes), outperforms matched-time robot teleoperation by 41%, and robustly transfers zero-shot across novel robots, cameras, and environments. We release HumanEgo as an easy-to-use, open-source framework for learning robot policies directly from human data: https://github.com/TX-Leo/HumanEgo

Defending Graph Neural Networks (GNNs) against adversarial attacks requires balancing accuracy and robustness, a trade-off often mishandled by traditional methods like adversarial training that intertwine these conflicting objectives within a single classifier. To overcome this limitation, we propose a self-supervised adversarial purification framework. We separate robustness from the classifier by introducing a dedicated purifier, which cleanses the input data before classification. In contrast to prior adversarial purification methods, we propose GPR-GAE, a novel graph auto-encoder (GAE), as a specialized purifier trained with a self-supervised strategy, adapting to diverse graph structures in a data-driven manner. Utilizing multiple Generalized PageRank (GPR) filters, GPR-GAE captures diverse structural representations for robust and effective purification. Our multi-step purification process further facilitates GPR-GAE to achieve precise graph recovery and robust defense against structural perturbations. Experiments across diverse datasets and attack scenarios demonstrate the state-of-the-art robustness of GPR-GAE, showcasing it as an independent plug-and-play purifier for GNN classifiers.

Concept Bottleneck Models (CBMs) have emerged as a prominent paradigm for interpretable deep learning, learning by grounding predictions in human-understandable concepts. However, their practical deployment is hindered by the high cost of test-time intervention, as correcting model errors typically requires human experts to manually inspect and verify a large set of predicted concepts. Existing approaches suffer from a fundamental structural limitation: they either adopt a single static concept set, forcing experts to exhaustively annotate concepts and incurring prohibitive intervention costs, or train multiple models tailored to different concept budgets, resulting in substantial computational and maintenance overhead. To address this challenge, we propose the Matryoshka Concept Bottleneck Model (MCBM), a unified architecture that enables adaptive concept utilization within a single model. Inspired by Matryoshka Representation Learning, MCBM organizes concepts into a nested hierarchy based on maximum relevance and minimum redundancy, allowing inference at multiple levels of conceptual granularity without retraining. Theoretically, we show that MCBM reduces the expected intervention costs from linear to logarithmic order, $O(\log K)$, while guaranteeing monotonic performance improvement. Empirically, extensive experiments demonstrate that MCBM matches the performance of independently trained models while enabling dynamic and efficient expert interaction.

Matryoshka Representation Learning (MRL) is a widely adopted approach for training text encoders so they provide useful text representations at various sizes, available by simply truncating the resulting vectors at sizes pre-determined at training time. Recent works have shown that randomly truncating text embeddings has minimal impact in downstream performance unless vectors are reduced in size by at least 70%, suggesting that embeddings are already robust to truncation without the use of MRL. However, no prior work has compared random truncation to MRL, so it is unclear how the two methods compare as effective embedding reduction methods. In this paper, we study this by applying the same truncation used by MRL to models trained with and without MRL. Our results across several models and downstream tasks show that, unless heavily truncating embeddings (i.e. reducing their size by at least 80%), truncated embeddings of non-MRL models are competitive with, and often outperform models trained with MRL. This suggests that truncation robustness may not necessarily come from MRL, and that the choice of spending the additional training cost of MRL depends on whether heavy truncation is desired. We make our code available for reproduction.

Zeroth-Order (ZO) optimization is pivotal for scenarios where backpropagation is unavailable, such as memory-constrained on-device learning and black-box optimization. However, existing methods face a stark trade-off: they are either sample-inefficient (e.g., standard finite differences) or suffer from high variance due to randomized estimation (e.g., random subspace methods). In this work, we propose Coherent Coordinate Descent (CoCD), a deterministic, sample-efficient, and budget-aware ZO optimizer. Theoretically, we formalize the notion of gradient coherence and demonstrate that CoCD is equivalent to Block Cyclic Coordinate Descent (BCCD) with ``warm starts,'' effectively converting historical (stale) gradients from a liability into a computational asset. This mechanism enables $O(1)$ query complexity per step while maintaining global descent directions. Furthermore, we derive error bounds revealing a counter-intuitive insight: larger finite-difference step sizes can induce an implicit smoothing effect on the optimization landscape by reducing the effective smoothness constant, thereby improving convergence stability. Experiments on MLP, CNN, and ResNet architectures (up to 270k parameters) demonstrate that CoCD significantly outperforms BCCD in terms of sample efficiency and convergence loss/accuracy, and exhibits superior stability over randomized ZO methods. Our results suggest that deterministic, structure-aware updates offer a superior alternative to randomization for lightweight ZO optimization.

Tool-augmented LLM agents increasingly access the same tool type through multiple functionally equivalent providers, such as web-search APIs, retrievers, or LLM backends exposed behind a shared interface. This creates a provider-routing problem under runtime load: the router must choose among providers that differ in latency, reliability, and answer quality, often without gold labels at deployment time. We introduce LQM-ContextRoute, a contextual bandit router for same-function tool providers. Its key design is latency-quality matching: instead of letting low latency offset poor answers in an additive reward, the router ranks providers by expected answer quality per service cycle. It combines this capacity-aware score with query-specific quality estimation and LLM-as-judge feedback, allowing it to adapt online to both load changes and provider-quality differences. On the main web-search load benchmark, LQM-ContextRoute improves F1 by +2.18 pp over SW-UCB while staying on the latency-quality frontier. In a high-heterogeneity StrategyQA setting, LQM-ContextRoute avoids additive-reward collapse and improves accuracy by up to +18 pp over SW-UCB; on heterogeneous retriever pools, it improves NDCG by +2.91--+3.22 pp over SW-UCB. These results show that same-function tool routing benefits from treating latency as service capacity, especially when runtime pressure and provider-quality heterogeneity coexist.

While interpretable prototype networks offer compelling case-based reasoning for clinical diagnostics, their raw continuous outputs lack the semantic structure required for medical documentation. Bridging this gap via standard Retrieval-Augmented Generation (RAG) routinely triggers ``retrieval sycophancy,'' where Large Language Models (LLMs) hallucinate post-hoc rationalizations to align with visual predictions. We introduce ProtoMedAgent, a framework that formalizes multimodal clinical reporting as an iterative, zero-gradient test-time optimization problem over a strict neuro-symbolic bottleneck. Operating on a frozen prototype backbone, we distill latent visual and tabular features into a discrete semantic memory. Online generation is strictly constrained by exact set-theoretic differentials and a reflective Scribe-Critic loop, mathematically precluding unsupported narrative claims. To safely bound data disclosure, we introduce a semantic privacy gate governed by $k$-anonymity and $\ell$-diversity. Evaluated on a 4,160-patient clinical cohort, ProtoMedAgent achieves 91.2% Comparison Set Faithfulness where it fundamentally outperforms standard RAG (46.2%). ProtoMedAgent additionally leverages a binding $\ell$-diversity phase transition to systematically reduce artifact-level membership inference risks by an absolute 9.8%.

Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.

On-policy distillation (OPD) has become a promising paradigm for reasoning-oriented post-training of large language models (LLMs), especially when combined with reinforcement learning from verifiable rewards (RLVR). Existing OPD methods rely on reverse KL (RKL)-based teacher supervision over trajectories sampled from the student policy. However, we identify a critical limitation: under large teacher--student policy divergence, RL-driven exploration often produces trajectories outside the teacher distribution, resulting in uninformative negative feedback. To address this, we propose Teacher-Guided Policy Optimization (TGPO), an on-policy reasoning distillation method that remains effective under large policy divergence settings. Rather than relying solely on evaluative supervision, TGPO uses teacher to directly guide token level generation conditioning on student-generated contexts; together with RLVR-style trajectory level rewards, TGPO steers exploration toward improved continuations. Experiments on reasoning benchmarks show that TGPO consistently outperforms existing RKL-based OPD methods and remains robust across different teacher models.

This paper studies kernelized bandits (also known as Gaussian process bandits) in an adversarial environment, where the reward functions in a known reproducing kernel Hilbert space (RKHS) may be adversarially chosen at each round. We show that the exponential-weight algorithm achieves $\tilde{O}(\sqrt{T γ_T})$ adversarial regret, where $T$ and $γ_T$ denote the number of total rounds and the maximum information gain, respectively. For squared exponential (SE) and $ν$-Matérn kernels, we also show algorithm-independent lower bounds that guarantee the optimality of our algorithm up to polylogarithmic factors. Furthermore, we present a computationally efficient variant of our algorithm using Nyström approximation while maintaining nearly optimal regret guarantees.

Out-of-distribution (OOD) robustness is difficult to diagnose when target-domain labels are unavailable. We consider a more restrictive source-only variant of unsupervised accuracy estimation: selecting robust checkpoints using only source-domain representations, with no target samples or target labels. We propose \textbf{TopoGeoScore}, a source-only geometric scorer for label-free OOD checkpoint selection. Given a trained checkpoint, we construct class-conditional mutual $k$-nearest-neighbour graphs from source embeddings and extract three interpretable signals: a torsion-inspired reduced Laplacian log-determinant for global class-manifold complexity, Ollivier--Ricci curvature for local neighbourhood regularity, and higher-order topological summaries for fragmented connectivity, loops, and global--local inconsistency. Instead of fixing their weights by hand, TopoGeoScore learns a non-negative linear score through a self-supervised objective that enforces invariance under approximately geometry-preserving embedding views and separation from structure-breaking views. The score remains interpretable and uses no target-domain samples or labels. Results across CIFAR-based corruption and distribution-shift benchmarks, ImageNet-C, MNLI$\to$HANS transfer, and OGBN-Arxiv suggest that source representations contain measurable global--local--topological evidence of robustness, supporting practical checkpoint selection before deployment under distribution shift.

Neural surrogate models for computational fluid dynamics (CFD) are typically trained as forward operators that map explicit problem specifications, such as geometry and boundary conditions, to solution fields. This ties the model to the conditioning variables seen during training and limits reuse under boundary-condition shifts or local geometry changes. We propose to reformulate steady CFD inference as an inpainting problem: instead of training on explicit boundary conditions, we learn a self-supervised prior over velocity fields and impose boundary constraints only during inference by fixing known regions such as inlet, outlet or unchanged regions from previous simulations. To scale this idea to large 3D meshes, we introduce a local neighbourhood tokeniser that represents high-resolution velocity fields as compact spatial latent tokens and train latent flow-matching and masked-autoencoder models on these tokens. On intracranial aneurysm hemodynamics, our method reconstructs full velocity fields from sparse boundary context, outperforms supervised neural surrogates under boundary-condition and dataset shift and enables local geometry editing by reusing unchanged simulation context. These results suggest that viewing CFD inference as context-conditioned inpainting can turn neural surrogates from task-specific predictors into reusable flow priors.

Root cause analysis (RCA) in complex systems is challenging due to error propagation across multiple variables, the need for structural causal knowledge, and the computational cost of inference at test time. We introduce PRIM (Prior-fitted Root cause Identification with Meta-learning), a causal meta-learning approach that frames RCA as a Bayesian inference task over a synthetic prior of causal models. By marginalising out structural uncertainty, PRIM implicitly identifies changes in the data-generating mechanism between baseline and anomalous periods. In doing so, PRIM infers distributional differences without explicit statistical testing, and implicitly learns causal structure without model fitting at test time. Following the simulation-based meta-learning paradigm of prior-fitted networks, PRIM uses a Model-Averaged Causal Estimation (MACE) transformer neural process that jointly attends over observational and anomalous samples and the causal structure of nodes, enabling zero-shot inference in 17,ms for systems with up to 100 variables. Across synthetic benchmarks and two realistic benchmark datasets, PetShop and CausRCA, PRIM is competitive with methods that are aware of the system's causal graphical structure a priori while outperforming graph-unaware methods on several tasks. Lightweight fine-tuning to specific domains and data dynamics improves performance further.

Contrastive Representation Learning (CRL) has achieved strong empirical success in multiple machine learning disciplines, yet its theoretical sample complexity remains poorly understood. Existing analyses usually assume that input tuples are identically and independently distributed, an assumption violated in most practical settings where contrastive tuples are constructed from a finite pool of labeled data, inducing dependencies among tuples. While one recent work analyzed this learning setting using U-Statistics to estimate the population risk, the techniques used therein require the risk of each class to concentrate uniformly, making excess risk bounds scale in the order of $ρ_{\min}^{-{1}/{2}}$ where $ρ_{\min}$ denotes the probability of the rarest class. Such a dependency can be overly pessimistic in the extreme multiclass settings where there are many tail classes which contribute minimally to the overall population risk. Our contributions are two-fold. Firstly, we improve upon the previous work and prove a bound with a sample complexity of the same order as the number of classes $R$, regardless of the distribution over classes. Furthermore, we formulate a different estimator that captures the concentration of the risk \textit{across classes}, enabling sharper bounds in extreme multi-class learning scenarios, especially where class distributions are long-tailed. Under mild assumptions on the class distributions, the resulting sample complexity is $\mathcal{O}(k)$ where $k$ is the number of samples per tuple.

Order-Agnostic autoregressive models have demonstrated strong performance in deep generative modeling, yet their use in settings with incomplete data remains largely unexplored. In this work, we reinterpret them through the lens of missing data. First, we show that their standard training procedure on fully observed data implicitly performs imputation under a missing completely at random mechanism, resulting in robust out-of-sample imputation performance in settings with high missingness. Second, we introduce the first principled framework for training them directly on incomplete datasets under general missingness mechanisms. Third, we leverage their amortized conditional density estimation to perform active information acquisition, i.e., sequentially selecting the most informative missing variables for downstream prediction or inference. Across a suite of real-world benchmarks, our Missingness-Aware Order-Agnostic Autoregressive Model (MO-ARM) consistently outperforms established imputation baselines.

Quantifying uncertainty in neural network predictions is essential for high-stakes domains such as autonomous driving, healthcare, and manufacturing. While existing approaches often depend on costly sampling or restrictive distributional assumptions, we propose Hyperspherical Confidence Mapping (HCM), a simple yet principled framework for sampling-free and distribution-free uncertainty estimation. HCM decomposes outputs into a magnitude and a normalized direction vector constrained to lie on the unit hypersphere, enabling a novel interpretation of uncertainty as the degree of violation of this geometric constraint. This yields deterministic and interpretable estimates applicable to both regression and classification. Experiments across diverse benchmarks and real-world industrial tasks demonstrate that HCM matches or surpasses ensemble and evidential approaches, with far lower inference cost and stronger confidence-error alignment. Our results highlight the power of geometric structure in uncertainty estimation and position HCM as a versatile alternative to conventional techniques.

Multi-Output Gaussian Processes (MOGPs) provide a principled probabilistic framework for modelling correlated outputs but face scalability bottlenecks when applied to datasets with high-dimensional output spaces. To maintain tractability, existing methods typically resort to restrictive assumptions, such as employing low-rank or sum-of-separable kernels, which can limit expressiveness. We propose the Transformed Latent Variable MOGP (T-LVMOGP), a novel framework that scales MOGPs to a massive number of outputs while preserving the capacity to capture meaningful inter-output dependencies. T-LVMOGP constructs a flexible multi-output deep kernel by mapping inputs and output-specific latent variables into an embedding space using a Lipschitz-regularised neural network. Combined with stochastic variational inference, our model effectively scales to high-dimensional output settings. Across diverse benchmarks, including climate modelling with over 10,000 outputs and zero-inflated spatial transcriptomics data, T-LVMOGP outperforms baselines in both predictive accuracy and computational efficiency.

Accurate forecasting of battery health indicators, including remaining capacity and lifetime, is of paramount importance for ensuring the reliability, safety, and operational efficiency of applications such as electric vehicles and large scale energy storage infrastructures. The result of the forecasting can be adopted to build an advanced monitoring mechanism for continuous checking batteries' health status to assist in the efficient real-time management of numerous applications. This research investigates the development and implementation of a Deep Learning (DL) model for the prediction of the future state and performance of industrial electrochemical energy storage systems. To address this challenge, we propose a dedicated computational framework that integrates advanced neural network architectures with large-scale training datasets, enabling precise modeling of batteries degradation dynamics and operational trends. The proposed approach provides a decision support mechanism for the optimal management of batteries facilitating both predictive maintenance and the efficient allocation of energy resources. Our findings highlight the potential of DL-based predictive modeling to significantly contribute to the advancement of sustainable and intelligent energy management systems.

Chemical reaction datasets such as USPTO suffer from substantial incompleteness, frequently missing byproducts, co-reactants, and stoichiometric coefficients. This limits their applicability and reliability in downstream applications. Here, we introduce CompleteRXN, a large-scale supervised benchmark for reaction completion under realistic missing-data conditions. We construct a dataset of aligned incomplete and atom-balanced reactions by mapping USPTO records to curated mechanistic reactions. We evaluate representative baselines, including a novel encoder-decoder reaction completion model with constrained decoding, the Constrained Reaction Balancer (CRB), and a recent algorithmic method, SynRBL. On our CompleteRXN benchmark, the CRB achieves high performance across splits of increasing difficulty, reaching 99.20% equivalence accuracy on the random split and 91.12% on the extreme out-of-distribution split. SynRBL produces many balanced and chemically plausible completions, but with lower accuracy on the benchmark test splits. Across all methods, performance degrades with increasing incompleteness. We observe a substantial drop when evaluating on reactions outside the benchmark (full uncurated USPTO), highlighting the gap between benchmark performance and practical robustness and motivating future work.

In the LLM era, many symbolic and structured problems are presented to models through 1D text serialization. Yet some such problems are natively two-dimensional: their relevant relations, such as row--column correspondence or spatial adjacency, are defined by position in a 2D layout rather than by sequential order. This raises a representational question: does preserving the same symbolic entries in a 1D sequence also preserve the relational structure needed for computation? We study this issue through the lens of serialization friction: the representational mismatch in which the same underlying task instances and entries are still present, but relations that depend on layout become implicit under 1D serialization. The study uses a controlled synthetic testbed of three tasks: matrix transpose, Conway's Game of Life, and LU decomposition. In each task, the same instances are presented either as 1D text serialization or as their native 2D layout rendered as an image. Across this testbed, 1D serialization degrades more sharply as task size grows, and errors under serialization exhibit spatially structured patterns, suggesting that this presentation choice is consequential within our testbed. To further interpret these results, we add supplementary analyses that include a within-visual probe and an additional comparison of the two input presentations under the mixed-training transpose setting. These findings suggest that, for layout-defined tasks, reducing inputs to 1D serialization is not a neutral choice of representation.

AI-for-Science (AI4Science) is increasingly transforming scientific discovery by embedding machine learning models into prediction, simulation, and hypothesis generation workflows across domains. However, the effectiveness of these models is fundamentally constrained by the AI-readiness of scientific data, for which no scalable and systematic evaluation mechanism currently exists. In this work, we propose SciHorizon-DataEVA, a novel agentic system to scalable AI-readiness evaluation of heterogeneous scientific data. At the evaluation-criteria level, we introduce the Sci-TQA2 principles, which organize AI-readiness into four complementary dimensions: Governance Trustworthiness, Data Quality, AI Compatibility, and Scientific Adaptability. Each dimension is decomposed into measurable atomic elements that enable fine-grained and executable assessment. To operationalize these principles at scale, we develop Sci-TQA2-Eval, a hierarchical multi-agent evaluation approach orchestrated through a directed, cyclic workflow. Our Sci-TQA2-Eval dynamically constructs dataset-aware evaluation specifications by combining lightweight dataset profiling, applicability-aware metric activation, and knowledge-augmented planning grounded in domain constraints and dataset-paper signals. These specifications are executed through an adaptive, tool-centric evaluation mechanism with built-in verification and self-correction, enabling scalable and reliable assessment across heterogeneous scientific data. Extensive experiments on scientific datasets spanning multiple domains demonstrate the effectiveness and generality of SciHorizon-DataEVA for principled AI-readiness evaluation.

We investigate whether the Feed-Forward Network (FFN) sublayer in a decoder-only transformer can be replaced by an explicit learned memory graph while preserving the surrounding autoregressive architecture. The proposed Graph Memory Transformer (GMT) keeps causal self-attention intact, but replaces the usual per-token FFN transformation with a memory cell that routes token representations over a learned bank of centroids connected by a learned directed transition matrix. In the base GMT v7 instantiation studied here, each of 16 transformer blocks contains 128 centroids, a 128 * 128 edge matrix, gravitational source routing, token-conditioned target selection, and a gated displacement readout. The cell therefore returns movement from an estimated source memory state toward a target memory state, rather than a retrieved value. The resulting model is a fully decoder-only language model with 82.2M trainable parameters and no dense FFN sublayers, compared with a 103.0M-parameter dense GPT-style baseline used in the evaluation. The base v7 model trains stably and exposes centroid usage, transition structure, and source-to-target movement as directly inspectable quantities of the forward computation. It remains behind the larger dense baseline in validation loss and perplexity (3.5995/36.58 vs. 3.2903/26.85), while showing close zero-shot benchmark behavior under the evaluated setting. These results are not intended as a state-of-the-art claim; they support the viability and structural interpretability of replacing dense within-token transformation with graph-mediated memory navigation. Broader scaling, optimized kernels, and more extensive benchmark evaluation are left for subsequent work.

Trajectory Optimization (TO) solvers exploit known system dynamics to compute locally optimal trajectories through iterative improvements. A downside is that each new problem instance is solved independently; therefore, convergence speed and quality of the solution found depend on the initial trajectory proposed. To improve efficiency, a natural approach is to warm-start TO with initial guesses produced by a learned policy trained on trajectories previously generated by the solver. Diffusion-based policies have recently emerged as expressive imitation learning models, making them promising candidates for this role. Yet, a counterintuitive challenge comes from the local optimality of TO demonstrations: when a policy is rolled out, small non-optimal deviations may push it into situations not represented in the training data, triggering compounding errors over long horizons. In this work, we focus on learning-based warm-starting for gradient-based TO solvers that also provide feedback gains. Exploiting this specificity, we derive a first-order loss for Sobolev learning of diffusion-based policies using both trajectories and feedback gains. Through comprehensive experiments, we demonstrate that the resulting policy avoids compounding errors, and so can learn from very few trajectories to provide initial guesses reducing solving time by $2\times$ to $20 \times$. Incorporating first-order information enables predictions with fewer diffusion steps, reducing inference latency.

LLM agents increasingly rely on memory mechanisms to reuse knowledge from past problem-solving experiences. However, existing methods typically construct memory for a single agent and reuse it with the same underlying model, tightly coupling stored knowledge to model-specific reasoning styles. In heterogeneous deployments, where agents may be instantiated with backbone models of different sizes, architectures, or specializations, this raises a key question: can a single memory system be shared across agents with different backbone models? We find that naive cross-model memory transfer can degrade performance, because stored memories often entangle task-relevant knowledge with model-specific biases. To address this challenge, we propose MemCollab, a collaborative memory framework that builds shared cross-model memory by contrasting reasoning trajectories generated by different model-based agents on the same task. Through this contrastive process, MemCollab distills abstract reasoning constraints that capture shared task-level invariants while suppressing model-specific artifacts. We further introduce a task-aware retrieval mechanism that conditions memory access on task category, ensuring that only relevant constraints are retrieved at inference time. Experiments on mathematical reasoning and code generation benchmarks show that MemCollab consistently improves both accuracy and inference-time efficiency across diverse agents, including settings with different model families. These results demonstrate that collaboratively constructed cross-model memory can serve as a shared reasoning resource for heterogeneous LLM-based agents.

Classical on-policy algorithms such as PPO and mirror descent policy optimization provide stable proximal policy updates through tractable action likelihoods, but are typically instantiated with simple Gaussian policies whose expressiveness can be limited in complex continuous-control tasks. Generative policies based on diffusion and flow models provide more expressive action distributions, but they naturally define distributions over multi-step denoising paths whose terminal action density is often intractable, creating a mismatch with likelihood-based on-policy proximal updates. To address this mismatch, we introduce \textbf{GSB-MDPO} (\emph{Generalized Schrödinger Bridge Mirror Descent Policy Optimization}), which formulates on-policy generative policy optimization as a Generalized Schrödinger Bridge problem over state-conditioned generation paths and instantiates the resulting path-measure update through mirror descent policy optimization. The key insight is that the GSB path-space KL plays the role of the proximal term in MDPO while upper-bounding the terminal action KL, enabling direct control of the executed action distribution without explicit terminal action likelihood evaluation. Experiments on 14 continuous-control tasks across Playground and Gym-MuJoCo demonstrate the empirical effectiveness of GSB-MDPO and support path-space regularization as a principled proximal update for multi-step generative policies.

We study the ill-posed problem of recovering a probability measure flow from finitely many moving localized sensors using a Bayes Hilbert framework. Relative to a fixed reference probability measure, a probability law is represented by its centered log-ratio coordinates, so that an evolving law becomes a path in a Hilbert space of functions. For sufficiently regular Bayes Hilbert paths, we construct a canonical minimum-energy transport realization of the path by solving a weighted Neumann problem at each time, yielding an intrinsic transport form on tangent directions. We then formulate an inverse problem directly on Bayes Hilbert path space. Linearization of an observation operator yields an observability form, and recoverability is governed by its interaction with the transport geometry through a joint transport--observability form. In the ambient infinite-dimensional setting, we develop a regularized variational theory and identify limitations of localized sensing: mobile sensors can make the joint form injective, but they do not in general yield a coercive stability estimate on the full state space. This obstruction leads naturally to finite-dimensional Bayes Hilbert reductions. There the transport form becomes a kinetic tensor and the linearized observations become reduced sensing matrices, so recoverability can be expressed through explicit Gramian conditions. We show that localized bump sensors detect every fixed reduced direction, that finitely many suitably placed static sensors yield uniform reduced observability, and there exist path-dependent sensor trajectories such that even a single moving sensor can recover the reduced path. Finally, we show that these reduced recovery results lift to approximate ambient recovery for paths that are well approximated by the chosen finite-dimensional subspaces, yielding stable reconstruction up to projection error.

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, Mars, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

Adversarial attacks can reliably steer safety-aligned large language models toward unsafe behavior. Empirically, we find that adversarial prompt-injection attacks can amplify attack success rate from the slow polynomial growth observed without injection to exponential growth with the number of inference-time samples. We first identify a minimal statistical mechanism for these two regimes by giving a small set of assumptions on the distribution of safe generation across contexts under which both scaling laws follow. To explain this phenomenon further, we propose a theoretical generative model of proxy language in terms of a spin-glass system operating in a replica-symmetry-breaking regime, where generations are drawn from the associated Gibbs measure and a subset of low-energy, size-biased clusters is designated unsafe. We analytically show how this model naturally realizes the minimal assumptions. Short injected prompts correspond to a weak magnetic field aligned towards unsafe cluster centers and yield a power-law scaling of attack success rate with the number of inference-time samples, while long injected prompts, i.e., strong magnetic field, yield exponential scaling. We observe qualitatively consistent behavior across a broad range of large language models, spanning parameter scales from 3B to 70B. In particular, the main trends remain stable across multiple attack methods, such as GCG and AutoDAN, as well as across benchmark datasets such as AdvBench and HarmBench.

Human locomotion emerges from high-dimensional neuromuscular control, making predictive musculoskeletal simulation challenging. We present a physiology-informed reinforcement-learning framework that constrains control using muscle synergies. We extracted a low-dimensional synergy basis from inverse musculoskeletal analyses of a small set of overground walking trials and used it as the action space for a muscle-driven three-dimensional model trained across variable speeds, slopes and uneven terrain. The resulting controller generated stable gait from 0.7-1.8 m/s and on $\pm$ 6$^{\circ}$ grades and reproduced condition-dependent modulation of joint angles, joint moments and ground reaction forces. Compared with an unconstrained controller, synergy-constrained control reduced non-physiological knee kinematics and kept knee moment profiles within the experimental envelope. Across conditions, simulated vertical ground reaction forces correlated strongly with human measurements, and muscle-activation timing largely fell within inter-subject variability. These results show that embedding neurophysiological structure into reinforcement learning can improve biomechanical fidelity and generalization in predictive human locomotion simulation with limited experimental data.

In recent advances, to enable a fully data-driven learning paradigm on relational databases (RDB), relational deep learning (RDL) is proposed to structure the RDB as a heterogeneous entity graph and adopt the graph neural network (GNN) as the predictive model. However, existing RDL methods neglect the imbalance problem of relational data in RDBs and risk under-representing the minority entities, leading to an unusable model in practice. In this work, we investigate, for the first time, class imbalance problem in RDB entity classification and design the relation-centric minority synthetic over-sampling GNN (Rel-MOSS), in order to fill a critical void in the current literature. Specifically, to mitigate the issue of minority-related information being submerged by majority counterparts, we design the relation-wise gating controller to modulate neighborhood messages from each individual relation type. Based on the relational-gated representations, we further propose the relation-guided minority synthesizer for over-sampling, which integrates the entity relational signatures to maintain relational consistency. Extensive experiments on 12 entity classification datasets provide compelling evidence for the superiority of Rel-MOSS, yielding an average improvement of up to 2.46% and 4.00% in terms of Balanced Accuracy and G-Mean, compared with SOTA RDL methods and classic methods for handling class imbalance.

Pretrained diffusion models are effective priors for Bayesian inverse problems, but posterior sampling with these priors is often costly because data-consistency guidance is applied throughout the full reverse trajectory. Existing methods have shown that vector-Jacobian products through the denoiser can sometimes be avoided, yet they typically still rely on dense guidance through the full trajectory or expensive inner solves. We introduce Sparse Scheduled Diffusion Guidance for Inverse Problems (Spin), a solver that avoids starting posterior sampling from pure noise. Spin first samples from a posterior time-marginal at an intermediate timestep $t_*$, and then uses that state as a warm start for a guided reverse diffusion process. At guidance time, instead of enforcing the measurement constraint at every denoising step, Spin applies lightweight corrections only at scheduled timesteps where the denoiser can still clean up artifacts. The resulting procedure decouples prior refinement from data consistency: the prior supplies denoising, while lightweight pixel-space optimization enforces the measurement constraint without backpropagation through the denoiser or decoder. Across linear and nonlinear inverse problems on FFHQ and ImageNet, Spin achieves competitive reconstruction quality with a substantially better runtime--memory profile, running 2x faster on pixel-space models and up to 50x faster on latent diffusion models, with lower memory costs.

We provide evidence of performative chain-of-thought (CoT) in reasoning models, where a model becomes strongly confident in its final answer, but continues generating tokens without revealing its internal belief. Our analysis compares activation probing, early forced answering, and a CoT monitor across two large models (DeepSeek-R1 671B & GPT-OSS 120B) and find task difficulty-specific differences: The model's final answer is decodable from activations far earlier in CoT than a monitor is able to say, especially for easy recall-based MMLU questions. We contrast this with genuine reasoning in difficult multihop GPQA-Diamond questions. Despite this, inflection points (e.g., backtracking, 'aha' moments) occur almost exclusively in responses where probes show large belief shifts, suggesting these behaviors track genuine uncertainty rather than learned "reasoning theater." Finally, probe-guided early exit reduces tokens by up to 80% on MMLU and 30% on GPQA-Diamond with similar accuracy, positioning attention probing as an efficient tool for detecting performative reasoning and enabling adaptive computation.

The Edge of Stability (EoS) is a phenomenon where the sharpness (largest eigenvalue) of the Hessian approaches and then hovers near the stability threshold $2/η$ during gradient descent (GD) with step size $η$. Despite (apparently) violating classical smoothness assumptions, EoS has been widely observed in deep learning, but its theoretical foundations remain incomplete. We provide an interpretation of EoS through the lens of Directional Smoothness [Mishkin et al., 2024]. This interpretation naturally extends to non-Euclidean norms, which we use to define generalized sharpness under an arbitrary norm. Our generalized sharpness measure includes previously studied vanilla GD and preconditioned GD as special cases, as well as methods for which EoS has not been studied, such as $\ell_{\infty}$-descent, Block CD, Spectral GD, and their normalized versions. Through experiments on neural networks, we show that non-Euclidean GD with our generalized sharpness also exhibits progressive sharpening followed by oscillations around or above the threshold $2/η$. Practically, our framework provides a geometry-aware spectral diagnostic that can be applied across a broad class of non-Euclidean gradient methods.

Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce, and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, we introduce RDB-PFN, the first relational foundation model trained purely via synthetic data. Inspired by Prior-Data Fitted Networks (PFNs), where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a Relational Prior Generator to create an infinite stream of diverse RDBs from scratch. Pre-training on over 2 million synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine in-context learning. Experiments show that RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming state-of-the-art tabular foundation models evaluated on the same DFS-linearized inputs, while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN.

Although high-resolution mapping of pan-Arctic sea ice with reliable corresponding uncertainty is essential for operational sea ice concentration (SIC) charting, it is a difficult task due to key challenges, such as the subtle nature of ice signature features, inexact SIC labels, model uncertainty, and data heterogeneity. This study presents a novel Bayesian High-Resolution Transformer approach for 200 meter resolution pan-Arctic SIC mapping and uncertainty quantification using Sentinel-1, RADARSAT Constellation Mission (RCM), and Advanced Microwave Scanning Radiometer 2 (AMSR2) data. First, to improve small and subtle sea ice feature (e.g., cracks/leads, ponds, and ice floes) extraction, we design a novel high-resolution Transformer model with both global and local modules that can better discern the subtle differences in sea ice patterns. Second, to address low-resolution and inexact SIC labels, we design a geographically-weighted weakly supervised loss function to supervise the model at region level instead of pixel level, and to prioritize pure open water and ice pack signatures while mitigating the impact of ambiguity in the marginal ice zone (MIZ). Third, to improve uncertainty quantification, we design a Bayesian extension of the proposed Transformer model, treating its parameters as random variables to more effectively capture uncertainties. Fourth, to address data heterogeneity, we fuse three different data types (Sentinel-1, RCM, and AMSR2) at decision-level to improve both SIC mapping and uncertainty quantification. The proposed approach is evaluated under pan-Arctic minimum-extent conditions in 2021 and 2025. Results demonstrate that the proposed model achieves 0.70 overall feature detection accuracy using Sentinel-1 data, while also preserving pan-Arctic SIC patterns (Sentinel-1 R\textsuperscript{2} = 0.90 relative to the ARTIST Sea Ice product).

Generative Flow Networks (GFlowNets) learn to sample diverse candidates in proportion to a reward function, making them well-suited for scientific discovery, where exploring multiple promising solutions is crucial. Further extending GFlowNets to multi-objective settings has attracted growing interest as real-world applications often involve multiple, conflicting objectives. However, existing approaches require joint training for each combination of objectives, meaning that any change in the objective set necessitates retraining from scratch. We propose a framework that composes pre-trained GFlowNets at inference time, enabling rapid adaptation without fine-tuning or retraining. Importantly, our framework is flexible, capable of handling diverse reward combinations ranging from linear scalarization to complex nonlinear operators, which are often handled separately in previous literature. We prove that our method exactly recovers the target distribution for linear scalarization, and quantify the approximation quality for nonlinear operators through a distortion factor. Experiments on a synthetic 2D grid and real-world molecule generation tasks demonstrate that our approach achieves performance comparable to baselines.

Structured dilated attention has an appealing inference-time efficiency knob: it reduces the FLOPs of attention and the KV cache size by a factor of the dilation size D, while preserving long-range connectivity. While prior work studies it by training each configuration from scratch, directly sparsifying a pretrained attention model into a dilated pattern leads to severe accuracy degradation, preventing flexible reuse across inference scenarios. We introduce RAT+, a dense-pretraining architecture that augments attention with full-sequence recurrence and active recurrence learning. A single RAT+ model is pretrained densely once and can then be flexibly switched at inference time to dilated attention (optionally with local windows) or hybrid layer/head compositions, requiring only a short 1B-token resolution adaptation rather than retraining separate sparse models. At 1.5B parameters trained on 100B tokens, RAT+ closely matches dense accuracy at D = 16, and drops by about 2-3 points at D = 64 on commonsense reasoning and LongBench tasks. We further scale to 2.6B and 7.6B parameters and observe even more promising performance (e.g., a 1-point average accuracy loss with a 64x reduction in attention FLOPs and KV cache size). Code is available at https://github.com/wimh966/rat-plus.

Large language models (LLMs) are increasingly applied as automatic evaluators for natural language generation assessment often using pairwise comparative judgements. Existing approaches typically rely on single judges or aggregate multiple judges assuming equal reliability. In practice, LLM judges vary substantially in performance across tasks and evaluation aspects, and their judgment probabilities may be biased and inconsistent. Furthermore, human-labelled supervision for judge calibration may be unavailable. We first empirically demonstrate that inconsistencies in LLM comparison probabilities exist and show that it limits the effectiveness of direct probability-based ranking. To address this, we study the LLM-asa-jury setting and propose BT-sigma, a judge-aware extension of the Bradley-Terry model that introduces a discriminator parameter for each judge to jointly infer item rankings and judge reliability from pairwise comparisons alone. Experiments on benchmark NLG evaluation datasets show that BT-sigma consistently outperforms averaging-based aggregation methods, and that the learned discriminators strongly correlate with independent measures of the cycle consistency of LLM judgments. Further analysis reveals that BT-sigma can be interpreted as an unsupervised calibration mechanism that improves aggregation by modelling judge reliability.

Generative model evaluation commonly relies on high-dimensional embedding spaces to compute distances between samples. We show that dataset representations in these spaces are affected by the hubness phenomenon, which distorts nearest-neighbor relationships and biases distance-based metrics. Building on the classical Iterative Contextual Dissimilarity Measure (ICDM), we introduce Generative ICDM (GICDM), a method to correct neighborhood estimation for both real and generated data. We introduce a multi-scale extension to improve empirical behavior. Extensive experiments on synthetic and real benchmarks demonstrate that GICDM resolves hubness-induced failures, restores reliable metric behavior, and improves alignment with human assessment.

Multi-Agent Systems (MAS) powered by Large Language Models have unlocked advanced collaborative reasoning, yet they remain bottlenecked by discrete text communication, which imposes runtime overhead and information quantization loss. While latent state transfer offers an alternative, existing approaches either assume homogeneous sender--receiver architectures or rely on pair-specific learned translators, limiting scalability across diverse model families with disjoint manifolds. We reconceptualize the visual interface of Vision-Language Models (VLMs), trained for natural images, as a continuous communication channel between heterogeneous agents, and instantiate this idea as the \textbf{Vision Wormhole}: a Universal Visual Codec maps reasoning traces into a shared continuous reference space and injects them into the receiver's visual pathway, yielding cross-architecture latent state transfer without per-pair translators. The framework adopts a hub-and-spoke topology that reduces alignment complexity from $O(N^2)$ to $O(N)$, and is trained by label-free teacher--student distillation against the text channel, requiring no parallel hidden-state supervision. Extensive experiments across heterogeneous VLM families (Qwen-VL, Gemma, SmolVLM2, LFM2.5-VL) and nine reasoning benchmarks show that the Vision Wormhole reduces end-to-end wall-clock time across most evaluated settings and yields positive macro-average $Δ$-accuracy.

Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network (GNN)-based positional encodings to incorporate structural information. In this work, we study GTs through the lens of manifold limit models for graph sequences and establish a theoretical connection between GTs with GNN positional encodings and Manifold Neural Networks (MNNs). Building on transferability results for GNNs under manifold convergence, we show that GTs inherit transferability guarantees from their positional encodings. In particular, GTs trained on small graphs provably generalize to larger graphs under mild assumptions. We complement our theory with extensive experiments on standard graph benchmarks, demonstrating that GTs exhibit scalable behavior on par with GNNs. To further show the efficiency in a real-world scenario, we implement GTs for shortest path distance estimation over terrains to better illustrate the efficiency of the transferable GTs. Our results provide new insights into the understanding of GTs and suggest practical directions for efficient training of GTs in large-scale settings.

Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood generative models with importance sampling, but practical scalability is limited. Meanwhile, coarse-grained surrogates enable the modeling of larger systems by reducing effective dimensionality, yet often lack a reweighting procedure required to ensure asymptotically correct statistics. In this work, we propose Coarse-Grained Boltzmann Generators (CG-BGs), a framework for reduced-order generative modeling with importance sampling in coarse-grained coordinate space. CG-BGs generate samples using a flow-based model and reweight them using a learned potential of mean force (PMF). We show that the PMF can be learned from rapidly converged trajectories via enhanced sampling force matching. Experiments demonstrate that CG-BGs capture solvent-mediated interactions in highly reduced representations while substantially reducing computational cost relative to atomistic BGs, providing a practical route toward equilibrium sampling of larger molecular systems.