Authors: Saheed Faremi, Andrea Visentin, Luca Longo
Abstract: EEG microstate analysis segments continuous brain electrical activity into brief, quasi-stable topographic configurations that reflect discrete functional brain states. Conventional approaches such as Modified K-Means operate directly in electrode space with hard assignment, offering no learned latent representation, no generative decoder, and no mechanism to decode latent configurations into verifiable scalp topographies, limiting both model transparency and interpretability. To address this, we present a Convolutional Variational Deep Embedding (Conv-VaDE) model that jointly learns topographic reconstruction and probabilistic soft clustering in a shared latent space. Conv-VaDE enables generative decoding of cluster prototypes into verifiable scalp topographies, replacing opaque hard partitioning with probabilistic soft assignment. A polarity invariance scheme and a four-dimensional grid search over cluster count (K from 3 to 20), latent dimensionality, network depth, and channel width are conducted to systematically reveal how each architectural design choice shapes the quality, stability, and interpretability of learned EEG microstate representations. The model is evaluated on the LEMON resting-state eyes-closed EEG dataset with ten participants using topographic template formation, clustering stability, and global explained variance (GEV). The architecture search reveals that depth L = 4 appears consistently across all 18 best-performing configurations, yielding a best-case GEV of 0.730 and a silhouette of 0.229 at K = 4 across the model sweeps, where moderately deep networks with compact channel widths and small latent dimensionality dominate across the full K range. These results establish that principled architecture search, rather than model scale, is the key to interpretable and stable EEG microstate discovery via variational deep embedding.
Authors: Xiantao Jiang
Abstract: There is currently no unified metric for evaluating the efficiency of quantized neural networks. We propose QuIDE, built around the Intelligence Index I = (C x P)/log_2(T+1), which collapses the compression-accuracy-latency trade-off into a single score. Experiments across six settings -- SimpleCNN (MNIST, CIFAR), ResNet-18 (ImageNet-1K), and Llama-3-8B -- show a task-dependent Pareto Knee. 4-bit quantization is optimal for MNIST and large LLMs, while 8-bit is the sweet spot for complex CNN tasks (ResNet-18 on ImageNet), where 4-bit PTQ collapses accuracy catastrophically. The accuracy-gated variant I' correctly flags these non-viable configurations that the raw I would reward. QuIDE provides a reproducible evaluation protocol and a ready-to-use fitness function for mixed-precision search.
Authors: Hanhan Zhou, Shamik Roy, Rashmi Gangadharaiah
Abstract: Discrete diffusion language models (DLMs) generate text by iteratively denoising all positions in parallel, offering an alternative to autoregressive models. Controlled generation methods for DLMs, imported from autoregressive models, apply uniform intervention at every denoising steps. We show this uniform schedule degrades quality, and the damage compounds when multiple attributes are steered jointly. To diagnose the failure, we train sparse autoencoders on four DLMs (124M-8B parameters) and find that different attributes commit on distinct schedules, varying in timing, sharpness, and magnitude. For instance, topic commits within the first 2\% of denoising, whereas sentiment emerges gradually over 20\% of the process. Consequently, uniform intervention wastes steering capacity on steps where the target attribute has already solidified or has yet to emerge. We propose a novel adaptive scheduler that concentrates interventions on the steps where an attribute is actively forming and leaves the rest of generation untouched. The cost-control trade-off admits a closed-form characterization: the advantage of adaptive over uniform scheduling is governed by a single dispersion statistic of the commitment distribution. Across four DLMs and seven steering tasks, our method achieves precise control without the degradation typical of uniform interventions. Especially on challenging simultaneous three-attribute control, it reaches up to 93\% steering strength, beating the strongest baseline by up to 15\% points while preserving generation quality.
Authors: Hangzhan Jin, Tianwei Ni, Lu Li, Pierre-Luc Bacon, Mohammad Hamdaqa, Doina Precup
Abstract: Supervised fine-tuning (SFT) improves in-domain performance but can degrade out-of-domain (OOD) generalization. Prior work suggests that this degradation is related to changes in dominant singular subspaces of pretrained weight matrices. However, directly identifying loss-sensitive directions with Hessian or Fisher information is computationally expensive at LLM scale. In this work, we propose preserving projected rotations in pretrained singular subspaces as an efficient proxy for Fisher-sensitive directions, which we call Rotation-Preserving Supervised Fine-Tuning (RPSFT). RPSFT penalizes changes in the projected top-$k$ singular-vector block of each pretrained weight matrix, limiting unnecessary rotation while preserving task adaptation. Across model families and sizes trained on math reasoning data, RPSFT improves the in-domain/OOD trade-off over standard SFT and strong SFT baselines, better preserves pretrained representations, and provides stronger initializations for downstream RL fine-tuning. Code is available at \href{https://github.com/jinhangzhan/RPSFT.git}{https://github.com/jinhangzhan/RPSFT}.
URLs: https://github.com/jinhangzhan/RPSFT.git, https://github.com/jinhangzhan/RPSFT
Authors: Navid Rezazadeh, Arash Gholami Davoodi
Abstract: Certified verification of transformer attention requires bounding the softmax function over interval constraints on the pre-softmax scores. Existing verifiers relax softmax ndependently of the downstream objective, leaving avoidable slack. We prove that the exact optimum of this score-box problem is attained at a vertex of the constraint box, and establish a threshold structure theorem showing that, after sorting the objective coefficients, the optimum lies among only linearly many candidates, yielding the Vertex-Softmax primitive with log-linear complexity in the sequence length. We further prove a formal optimality result showing that Vertex-Softmax is the tightest sound bound obtainable from score intervals alone, characterizing precisely what additional structure (score correlations, score-value coupling) is needed for further improvement. Integrated into a CROWN Convex Relaxation based Optimization for Worst-case Neurons)-style verifier with a formal soundness guarantee, Vertex-Softmax significantly improves certified rates and substantially tightens lower bounds across MNIST, Fashion-MNIST, and CIFAR-10 attention models, while consistently matching or outperforming alpha-CROWN and branch-and-bound baselines at a fraction of their cost.
Authors: Md Sazzad Hossen, Avimanyu Sahoo
Abstract: Graphs with heterophily, where adjacent nodes carry different labels, are prevalent in real-world applications, from social networks to molecular interactions. However, existing spectral Graph Neural Network (GNN) approaches tailored for heterophilous graph classification suffer from hub-dominated (node with large degree) aggregation and oversmoothing, as their suboptimal polynomial filters introduce approximation errors and blend distant signals. To address the degree-biased aggregation and suboptimal polynomial filtering, we introduce a Hierarchical Multi-view HAAR (HMH), a novel spectral graph-learning framework that scales in near-linear time . HMH first learns feature- and structure-aware signed affinities via a heterophily-aware encoder, then constructs a soft graph hierarchy guided by these embeddings. At each hierarchical level, HMH constructs a sparse, orthonormal, and locality-aware Haar basis to apply learnable spectral filters in the frequency domain. Finally, skip-connection unpooling layers combine outputs from all hierarchical levels back into the original graph, effectively preventing hub domination and long-range signal bottleneck (over-squashing). Experimentation shows that HMH outperforms state-of-the-art spectral baselines, achieving up to a 3% improvement on node classification and 7% points on graph classification datasets, all while maintaining linear scalability.
Authors: Haohui Zhang, Zhiye Wang, Xiaoying Gan, Xinbing Wang, Bo Jiang
Abstract: Diffusion Language Models (dLLMs) have garnered significant attention for their potential in highly parallel processing. The parallel capabilities of existing dLLMs stem from the assumption of conditional independence at high confidence levels, which ensures negligible discrepancy between the marginal and joint distributions. However, the stringent confidence thresholds required to preserve accuracy severely constrain the scalability of parallelism. Through systematic token-level statistical analysis, we reveal that a substantial proportion of tokens converge to their correct predictions early in the denoising process yet fail to reach standard confidence thresholds, confirming that current confidence-based criteria are overly conservative. In response, we introduce LEAP (Lookahead Early-Convergence Token Detection for Accelerated Parallel Decoding). LEAP is a training-free, plug-and-play method that leverages future context filtering and multi-sequence superposition to detect early-converging tokens. By validating the alignment between early convergence and correctness, we enable reliable early decoding of these tokens. Benchmarking across diverse domains demonstrates that LEAP significantly lowers inference latency and decoding steps. Compared to confidence-based decoding, the average number of denoising steps is reduced by about 30%. On the GSM8K dataset, combining LEAP with dParallel accelerates decoding to 7.2 tokens per step while preserving model precision. LEAP effectively breaks the reliance on high-confidence priors, offering a novel paradigm for parallel decoding.
Authors: Zhengyuan Fan, Zhonghua Wu, Yuxuan Du, Qun Chen
Abstract: Reference-free preference optimization has emerged as an efficient alternative to reinforcement learning from human feedback, with Simple Preference Optimization(SimPO) demonstrating strong performance by eliminating the explicit reference model through a simple objective. However, the joint tuning of the hyperparameters $\beta$ and $\gamma$ in SimPO remains a central challenge. We argue that this difficulty arises because the margin formulation in SimPO is not easily interpretable across datasets with different reward gap structures. To better understand this issue, we conduct a comprehensive analysis of SimPO and find that $\beta$ implicitly controls sample filtering, while the effect of $\gamma$ depends on the reward gap structure of the dataset. Motivated by these observations, we propose $\xi$-DPO: Direct preference optimization via ratio reward margin. We first reformulate the preference objective through an equivalent transformation, changing the optimization target from maximizing the likelihood of reward gaps to minimizing the distance between reward gaps and optimal margins. Then, we redefine the reward in a ratio form between the chosen and rejected, which effectively cancels the effect of $\beta$ and yields a bounded and interpretable margin. This margin is called the ratio reward margin and is denoted by $\xi$. Unlike the margin $\gamma$ in SimPO, $\xi$ explicitly represents the desired relative separation between chosen and rejected responses and can be determined from the initial reward gap distribution, avoiding repeated trial-and-error tuning. ....
Authors: Jiaming Li, Chenyu Zhu, Nanxi Yi, Youjun Bao, Li Sun, Quanying Lv, Xiang Fang, Daizong Liu, Jianjun Li, Kun He, Bowen Zhou, Zhiyuan Ma
Abstract: Reinforcement learning (RL) has shown extraordinary potential in aligning diffusion models to downstream tasks, yet most of them still suffer from significant reward hacking, which degrades generative diversity and quality by inducing visual mode collapse and amplifying unreliable rewards. We identify the root cause as the mode-seeking nature of these methods, which maximize expected reward without effectively constraining probability distribution over acceptable trajectories, causing concentration on a few high-reward paths. In contrast, we propose Trajectory Matching Policy Optimization (TMPO), which replaces scalar reward maximization with trajectory-level reward distribution matching. Specifically, TMPO introduces a Softmax Trajectory Balance (Softmax-TB) objective to match the policy probabilities of K trajectories to a reward-induced Boltzmann distribution. We prove that this objective inherits the mode-covering property of forward KL divergence, preserving coverage over all acceptable trajectories while optimizing reward. To further reduce multi-trajectory training time on large-scale flow-matching models, TMPO incorporates Dynamic Stochastic Tree Sampling, where trajectories share denoising prefixes and branch at dynamically scheduled steps, reducing redundant computation while improving training effectiveness. Extensive results across diverse alignment tasks such as human preference, compositional generation and text rendering show that TMPO improves generative diversity over state-of-the-art methods by 9.1%, and achieves competitive performance in all downstream and efficiency metrics, attaining the optimal trade-off between reward and diversity.
Authors: Siddhant Dutta, Edward Tan Beng Wai, Soumick Sarker, Pasan Gunawardane, Jagath C. Rajapakse
Abstract: Protein language models such as ESM-2 learn rich residue representations that achieve strong performance on protein function prediction, but their features remain difficult to interpret as structural $\&$ evolutionary signals are encoded in dense latent spaces. We propose a plug-$\&$-play framework that projects ESM-2 representations onto protein contact graphs $\&$ applies $\textbf{SoftBlobGIN}$, a lightweight Graph Isomorphism Network with differentiable Gumbel-softmax substructure pooling, to perform structure-aware message passing $\&$ learn coarse functional substructures for downstream prediction tasks. Across enzyme classification, SoftBlobGIN achieves 92.8\% accuracy $\&$ 0.898 macro-F1. Unlike post hoc analysis of protein language models alone, our method produces directly auditable structural explanations: GNNExplainer recovers biologically meaningful active-site residues, spatially localized functional clusters, $\&$ catalytic contact patterns. On binding-site detection, SoftBlobGIN improves residue AUROC from $0.885$ using an ESM-2 linear probe to $0.983$, indicating that these structural explanations are not recoverable from language-model features alone. Learned blob partitions provide an additional layer of interpretability by automatically grouping residues into functional substructures, with blobs containing annotated active-site residues showing $1.85\times$ higher importance than other blobs ($\rho{=}0.339$, $p{=}0.009$), without any active-site supervision. Our framework requires no retraining of the language model, adds only $\sim$1.1M parameters, $\&$ generalises across ProteinShake tasks, achieving $F_{\max}$ of $0.733$ on Gene Ontology prediction $\&$ AUROC of $0.969$ on binding-site detection. We position this as an interpretable structural companion to protein language models that makes their predictions more transparent $\&$ auditable.
Authors: Tingxi Li, Mingfang Ji, Ravishka Shemal Rathnasuriya, Simin Chen, Yitao Hu, Wei Yang
Abstract: Modern machine learning deployments increasingly compose specialized models into dynamic inference pipelines, where upstream components produce intermediate predictions that determine the workload and inputs of downstream components. The cost of processing an input is therefore not determined by any single model, but by two coupled factors: the per-inference cost of each invoked component and its workload volume. Because these pipelines run under hard real-time constraints, efficiency is a fundamental requirement for system availability. We show that this structure creates an efficiency-attack surface that existing methods targeting single models cannot exploit: on identical inputs and budgets, path-aware targeting inflates FLOPs by $2,407\times$ while the strongest single-model baseline achieves $117\times$ -- a $20\times$ gap attributable entirely to where the attack is directed. We formalize this as the adversarial path-selection problem and present AESOP, a framework combining vulnerability-guided path ranking with adaptive loss weighting. We evaluate AESOP on five pipelines plus a production-realistic deployment variant with batching, bounded buffering, and confidence-threshold defenses. AESOP achieves up to $2,407\times$ FLOPs and $419\times$ latency inflation in white-box setting and 58$\times$ FLOPs / 17$\times$ latency in gray-box settings. Under system-level defenses, the attack is not neutralized but redirected: pipelines are forced to choose between throughput collapse ($0.578 \to 0.006$ input/s) and $96.7\%$ data loss to sustain throughput.
Authors: Yutszyuk Wong, Wentai Wu, Yuen-Ying Yeung, Weiwei Lin
Abstract: Log anomaly detection is a critical task for system operations and security assurance. However, in networked systems at scale, log data are generated at massive scale while instance-level annotations are prohibitively expensive, posing great difficulties to fine-grained anomaly localization. To address this challenge, we propose LogMILP (Log anomaly localization based on Multi-Instance Learning enhanced by prototypes and Perturbation), a weakly supervised framework that enables both bag-level anomaly detection and instance-level anomaly localization using only bag-level labels. Our method guides the model to pinpoint the critical log entries using prototype-guided structural modeling with counterfactual perturbation consistency regularization, thereby improving localization reliability and interpretability under coarse-grained supervision. Experimental results on three public datasets demonstrate that LogMILP achieves competitive detection performance while yielding significantly more reliable instance-level localization. Our code is open-sourced at https://github.com/YUK1207/LogMILP.
Authors: Haoyu Huang, Boyu Liu, Linlin Yang, Yanjing Li, Yuguang Yang, Xuhui Liu, Canyu Chen, Zhongqian Fu, Baochang Zhang
Abstract: The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE) and its improved variants, rely on hand-crafted designs that suffer from gradient mismatch problem and information loss induced by fixed-range gradient clipping. To address this, we propose SURrogate GradiEnt Adaptation (SURGE), a novel learnable gradient compensation framework with theoretical grounding. SURGE mitigates gradient mismatch through auxiliary backpropagation. Specifically, we design a Dual-Path Gradient Compensator (DPGC) that constructs a parallel full-precision auxiliary branch for each binarized layer, decoupling gradient flow via output decomposition during backpropagation. DPGC enables bias-reduced gradient estimation by leveraging the full-precision branch to estimate components beyond STE's first-order approximation. To further enhance training stability, we introduce an Adaptive Gradient Scaler (AGS) based on an optimal scale factor to dynamically balance inter-branch gradient contributions via norm-based scaling. Experiments on image classification, object detection, and language understanding tasks demonstrate that SURGE performs best over state-of-the-art methods.
Authors: Linhai Zhang, Yulan He
Abstract: Existing approaches to LLM personalization focus on constructing better personalized models or inputs, while treating inference as a single-shot process. In this work, we study Test-Time Personalization (TTP) along an unexplored axis: scaling inference-time computation by sampling N candidates from a personalized policy model and selecting the best with a personalized reward model. We prove that oracle selection yields expected utility growing logarithmically with the number of sampled candidates, establishing a theoretical ceiling for test-time scaling. However, standard reward models fail to realize this potential. To diagnose why, we derive a unified scaling law that decomposes any reward model's Best-of-N curve into four measurable quantities and reveals two failure modes, user-level collapse (near-constant prediction for some users) and query-level reward hacking (negative correlation with true quality for some queries). Guided by this law, we propose a probabilistic personalized reward model whose learned variance effectively mitigates both failure modes. Experiments confirm both elements of our framework: TTP delivers consistent scaling across multiple policy models and personalized text generation tasks, and our scaling law closely matches observed scaling curves across reward-model variants.
Authors: Yuchen Ma, Yue Huang, Han Bao, Haomin Zhuang, Swadheen Shukla, Michel Galley, Xiangliang Zhang, Stefan Feuerriegel
Abstract: Skills are a promising way to improve LLM agent capabilities without retraining, while keeping the added procedure reusable and controllable. However, high-quality skills are still largely written by hand. We introduce SkillGen, a multi-agent framework that synthesizes a single auditable skill from trajectories generated by a base agent. The output is a human-readable artifact that can be inspected before use. Rather than merely summarizing trajectories, SkillGen leverages contrastive induction over both successful and failed trajectories to identify reusable success patterns, recurring failure modes, and behaviors that appear in nearby successes but are missing from failures. SkillGen then generates candidate skills and iteratively refines the skill. A key novelty in SkillGen is that we model agent skills as interventions to empirically verify the net effect of skills on the overall performance. Specifically, we compare outcomes on the same instances with and without the skill, so that we account for both repairs (cases where the skill fixes a baseline failure) and regressions (cases where the skill breaks a baseline success). Across a broad range of agents and datasets, SkillGen consistently improves held-out performance, outperforms existing skill-generation baselines, and produces skills that transfer across models.
Authors: Xiaofeng Liu
Abstract: Physics-informed neural networks (PINNs) are a simple surrogate-modelling paradigm for partial differential equations, but their standard strong-form residual formulation is ill suited to the shallow water equations (SWE). It cannot enforce local conservation, handle discontinuities, or leverage the boundary-conforming unstructured meshes used in real-world applications. We introduce ``Data-Guided FVM-PINN'', a framework that replaces the strong-form residual with a differentiable, well-balanced Roe Riemann-solver finite-volume (FVM) loss evaluated on unstructured meshes. The major finding is that physics-only FVM-PINN training often fails on realistic 2D problems: the network collapses to a trivial low-momentum state that nearly satisfies the FVM-PINN residual but bears no resemblance to the true flow. A loss-landscape diagnostic shows that the FVM-PINN loss at zero momentum is only about $7\times$ larger than at the trained solution, a shallow basin that an ordinary optimizer falls into; adding even sparse data turns this into a $310\times$ separation, breaking the degeneracy. On a 2D block-in-channel benchmark, just $200$ random velocity measurements drop the velocity-field $L_2$ error by $22\times$ versus physics-only; $50$ measurements still deliver a $7\times$ reduction. A controlled ablation isolates the contribution of the FVM-PINN loss: it reduces velocity-field $L_2$ by $\sim$$23\%$ in the sparse-data regime and is essentially neutral when dense reference data is available. On a real-world Savannah River reach ($1306$ cells, $3600$~s simulation, five Manning zones), the framework constructs an accurate surrogate from SRH-2D anchor data, with time-window decomposition reducing error monotonically via progressive initial-condition handoff.
Authors: Zhichen Zeng, Chi-Chih Chang, Jiayi Wang, Zezhou Wang, Ningxin Zheng, Zheng Zhong, Cesar A. Stuardo, Dongyang Wang, Mohamed S. Abdelfattah, Haibin Lin, Banghua Zhu, Ang Li, Ziheng Jiang
Abstract: Mixture-of-experts (MoE) architectures enable trillion-parameter LLMs with sparsely activated experts. Expert parallelism (EP) is a widely adopted MoE training strategy, but it suffers from severe all-to-all communication bottlenecks, which is exaggerated by the limited inter-node network bandwidth as the growing model size requires distributing experts across GPU nodes. Prior work focused on overlapping these all-to-all communications with feed-forward network (FFN) and self-attention computations, which often leaves residual network-bound stalls due to inherent imbalance in attention and FFN layers' computation-communication ratios. We present DisagMoE, a disaggregated MoE training system that jointly optimizes model placement and scheduling for maximal efficiency. DisagMoE separates attention and FFN layers into disjoint GPU groups, introduces a multi-stage pipeline with uni-directional, many-to-many communications, and employs a computation-communication roofline model to balance GPU and network bandwidth allocation among the attention and FFN groups. DisagMoE is implemented on Megatron-LM, and evaluation shows that DisagMoE improves training efficiency across multiple MoE models with up to 1.8x speedup on 16-node 8xH800 clusters.
Authors: Peter Racioppo
Abstract: We show that the core components of the Transformer block -- attention, residual connections, and normalization -- arise naturally from a single geometric estimation problem. Modeling the latent state as a direction on the hypersphere, with noise defined in the tangent plane at the current estimate, yields a precision-weighted directional inference procedure in which attention aggregates evidence, residual connections implement incremental state updates, and normalization retracts the updated state back onto the hypersphere. Together, these components follow from the geometry of the estimation problem rather than being introduced as independent architectural choices.
Authors: Yonatan Sverdlov, Benjamin Friedman, Snir Hordan, Nadav Dym
Abstract: While invariant architectures are standard for processing symmetric data, there is growing interest in achieving invariance by applying group averaging or canonization to non-invariant backbones. However, the theoretical generalization properties of these alternative strategies remain poorly understood. We introduce a theoretical framework to analyze the generalization error of these methods by bounding their covering numbers. We establish a rigorous generalization hierarchy: the error bounds of canonized models are at best equal to the error bounds of structurally invariant and group-averaged models, and at worst equal to the bounds of non-invariant baselines. Furthermore, we show that there exist optimal canonizations which attain the optimal error bounds, and poor canonizations which attain the non-invariant error bounds, and that this depends on the regularity of the canonization. Finally, applying this framework to permutation groups in point cloud processing, we rigorously prove that the covering number of lexicographical sorting grows exponentially with point cloud dimension, whereas Hilbert curve canonization guarantees polynomial growth. This provides the first formal theoretical justification for the empirical success of Hilbert curve serialization in state-of-the-art point cloud architectures. We conclude with experiments that support our theoretical claims. Code is available at https://github.com/yonatansverdlov/Canonization
Authors: Qian Chen, Junqiao Zhao, Hongtu Zhou, Hang Yu, Yanping Zhao, Chen Ye, Guang Chen
Abstract: Long-horizon, sparse-reward tasks pose a fundamental challenge for reinforcement learning, since single-step TD learning suffers from bootstrapping error accumulation across successive Bellman updates. Actor-critic methods with action chunking address this by operating over temporally extended actions, which reduce the effective horizon, enable fast value backups, and support temporally consistent exploration. However, existing methods rely on a fixed chunk size and therefore cannot adaptively balance reactivity against temporal consistency. A large fixed chunk size reduces responsiveness to new observations, while a small one produces incoherent motions, forcing task-specific tuning of the chunk size. To address this limitation, we propose Adaptive Chunk Size Actor-Critic (ACSAC). ACSAC leverages a causal Transformer critic to evaluate expected returns for action chunks of different sizes. At each chunk boundary, it adaptively selects the chunk size that maximizes the expected return, supporting flexible, state-dependent chunk sizes without task-specific tuning. We prove that the ACSAC Bellman operator is a contraction whose unique fixed point is the action-value function of the adaptive policy. Experiments on OGBench demonstrate that ACSAC achieves state-of-the-art performance on long-horizon, sparse-reward manipulation tasks across both offline RL and offline-to-online RL settings.
Authors: Antonios Makris, Christos Dousis, Emmanouil Kritharakis, Stavros Bouras, Konstantinos Tserpes
Abstract: Federated Learning has emerged as a transformative paradigm for collaborative machine learning across distributed environments. However, its performance is strongly influenced by the aggregation strategy used to combine local model updates at the server, which directly affects learning performance, robustness, and system behavior. This work presents a comprehensive experimental comparison of widely used federated aggregation strategies under both homogeneous and heterogeneous data distributions. Using benchmark image classification datasets, we analyze how different aggregation mechanisms respond to varying degrees of data heterogeneity, examining their impact on centralized accuracy and loss, and system-level efficiency metrics, including aggregation, training, and communication time. The results demonstrate that aggregation strategies exhibit distinct trade-offs across datasets and data distributions, with their effectiveness varying according to dataset characteristics and operating conditions.
Authors: Taekhyun Park, Yongjae Lee, Dohee Kim, Hyerim Bae
Abstract: Looped computation shows promise in improving the reasoning-oriented performance of LLMs by scaling test-time compute. However, existing approaches typically require either training recurrent models from scratch or applying disruptive retrofits, which involve substantial computational costs and may compromise pretrained capabilities. To address these limitations, we introduce \textbf{Looped Depth Up-Scaling} (LoopUS), a post-training framework that converts a standard pretrained LLM into a looped architecture. As a key technical contribution, LoopUS recasts the pretrained LLM into an encoder, a looped reasoning block, and a decoder. It operationalizes this latent-refinement architecture through four core components: (1) block decomposition, guided by staged representation dynamics; (2) an input-dependent selective gate to mitigate hidden-state drift; (3) random deep supervision for memory-efficient learning over long recursive horizons; and (4) a confidence head for adaptive early exiting. Collectively, these mechanisms transform a standard non-looped model into a looped form while stabilizing it against both computational bottlenecks and representation collapse. Through stable latent looping, LoopUS improves reasoning-oriented performance without extending the generated traces or requiring recurrent training from scratch. For more details, see https://thrillcrazyer.github.io/LoopUS
Authors: Yadang Alexis Rouzoumka, Jean Pinsolle, Eug\'enie Terreaux, Christ\`ele Morisseau, Jean-Philippe Ovarlez, Chengfang Ren
Abstract: Fair comparison between diffusion-based OOD detectors is challenging, as conclusions can vary with backbone choice, corruption parameterization, and test-time budget. We address this issue through a Mutualized Backbone-Equated (MBE) protocol that aligns canonical corruption levels and logical test-time cost across diffusion backbones. Within this setting, we introduce Canonical Feature Snapshots (CFS), a family of detectors that probes a frozen diffusion backbone using only a tiny number of native internal activations at canonical low-noise levels. On a controlled CIFAR-scale benchmark, the strongest one-forward CFS variant is CFS(1x2), while an even smaller decoder-only variant remains highly competitive. This shows that much of the relative-OOD signal exposed by frozen diffusion backbones is concentrated in a small number of sparse internal states, rather than requiring full denoising trajectories or high-capacity downstream heads. We further provide a local diagnostic theory explaining these observations through conditional encoder-decoder complementarity, diagonal-score separation, and low-noise corruption stability. The official implementation is available at https://github.com/RouzAY/cfs-diffusion-ood/.
Authors: Chao Zhou
Abstract: Behavioral curve modeling -- fitting parametric functions to engagement-versus-exposure data -- is standard practice in recommendation, advertising, and clinical dosing. We show that aggregation introduces a systematic distortion: Simpson's paradox in behavioral curves. On Goodreads (3.3M users, 9 genres), individual users peak at n* approximately 11 exposures while the aggregate peaks at n* approximately 34 -- a 3x gap driven by survival bias. Amazon Electronics (18M reviews) shows a 5.3x distortion. MovieLens-25M (D approximately 1) serves as a negative control, confirming that survival bias -- not aggregation per se -- is the operative mechanism. The distortion is robust to category granularity, engagement operationalization, and classifier calibration. We develop Synthetic Null Calibration to address a 32% false positive rate in per-user classification. Our findings apply wherever individual behavioral parameters are estimated from aggregate curves under differential attrition.
Authors: Zizhao Chen, Yuying Li, Siting Lin, Lianxi Wang
Abstract: Although large language models rely on chain-of-thought for complex reasoning, the overthinking phenomenon severely degrades inference efficiency. Existing reinforcement learning methods compress reasoning chains by designing elaborate reward functions, which renders high-quality samples extremely sparse in the exploration space and creates a sampling bottleneck for the prior policy. Inspired by cognitive science, we theoretically prove that a posterior distribution guided by reference answers achieves higher expected utility than the prior distribution, thus capable of breaking through the sampling bottleneck of high-quality samples. However, the posterior distribution is unavailable during inference. To this end, we formalize efficient reasoning as a variational inference problem and introduce an efficiency-aware evidence lower bound as the theoretical foundation. Based on this, we propose the VPG-EA framework. It adopts a parameter-shared dual-stream architecture to instantiate both the posterior distribution and the prior policy; after filtering out pseudo-efficient paths via cross-view evaluation, it unidirectionally transfers the posterior's efficient patterns to the prior policy through variational distillation. Experiments on DeepSeek-R1-Distill-Qwen-1.5B and 7B scales demonstrate that VPG-EA improves the comprehensive efficiency metric epsilon cubed by 8.73% and 12.37% over the strongest baselines on each model size, respectively.
Authors: Anish Diwan, Davide Tateo, Christopher E. Mower, Haitham Bou-Ammar, Jan Peters, Oleg Arenz
Abstract: Inverse reinforcement learning (IRL) is typically formulated as maximizing entropy subject to matching the distribution of expert trajectories. Classical (dual-ascent) IRL guarantees monotonic performance improvement but requires fully solving an RL problem each iteration to compute dual gradients. More recent adversarial methods avoid this cost at the expense of stability and monotonic dual improvement, by directly optimizing the primal problem and using a discriminator to provide rewards. In this work, we bridge the gap between these approaches by enabling monotonic improvement of the reward function and policy without having to fully solve an RL problem at every iteration. Our key theoretical insight is that a trust-region-optimal policy for a reward function update can be globally optimal for a smaller update in the same direction. This smaller update allows us to explicitly optimize the dual objective while only relying on a local search around the current policy. In doing so, our approach avoids the training instabilities of adversarial methods, offers monotonic performance improvement, and learns a reward function in the traditional sense of IRL--one that can be globally optimized to match expert demonstrations. Our proposed algorithm, Trust Region Inverse Reinforcement Learning (TRIRL), outperforms state-of-the-art imitation learning methods across multiple challenging tasks by a factor of 2.4x in terms of aggregate inter-quartile mean, while recovering reward functions that generalize to system dynamics shifts.
Authors: Donghwan Lee, Han-Dong Lim
Abstract: This paper develops a switching-system interpretation of Q-learning with linear function approximation (LFA) based on the joint spectral radius (JSR). We derive an exact linear switched model for the mean dynamics and relate convergence to stability of the corresponding switched system. The same construction is then used for stochastic linear Q-learning with independent and identically distributed (i.i.d.) observations and with Markovian observations. Although exact JSR computation is difficult in general, the certificate captures products of switching modes and can be less conservative than one-step norm bounds. The framework also yields a JSR-based view of regularized Q-learning with LFA. The resulting analysis connects projected Bellman equations, finite-difference stochastic-policy switching, and switched-system stability in a single parameter-space formulation.
Authors: Shubhankit Singh, Hassan Shaikh, Kuldeep Raghuwanshi, Keshav Bulia
Abstract: Automated ASD screening tools remain limited by single-architecture evaluations, axis-restricted assessment, and near-exclusive focus on adult cohorts, obscuring age-specific diagnostic patterns critical for early intervention. We introduce ASD-Bench, a systematic tabular benchmark evaluating ML, deep learning, and foundation model configurations across three age cohorts (children 1-11 yr, adolescents 12-16 yr, adults 17-64 yr) on four axes: predictive performance, calibration, interpretability, and adversarial robustness. Applied to a curated v3 dataset of 4,068 AQ-10 records, our benchmark spans classical models (XGBoost, AdaBoost, Random Forest, Logistic Regression), neural networks (MLP), deep tabular transformers (TabNet, TabTransformer, FT-Transformer), and TabPFN v2. We introduce the Heuristic Aggregate Penalty (HAP): a cost-sensitive metric penalising false negatives more heavily and incorporating cross-validation variance for deployment stability. Adult classification yields high performance (10/17 models achieve perfect F1 and AUC), while adolescents present a harder task (F1 ceiling 0.837 vs. 0.915 for children). Feature hierarchies shift across cohorts: A9 (social motivation) dominates for children, A5 (pattern recognition) leads for adolescents, and adults exhibit a flatter importance profile consistent with developmental social masking. Accuracy and calibration are dissociated: AdaBoost achieves F1=1.000 on adults with ECE=0.302, confirming single-metric evaluation is insufficient for clinical AI. Cohort-specific deployment recommendations are provided. All findings should be interpreted as proof-of-concept evidence on questionnaire-derived labels rather than clinically validated diagnostic performance.
Authors: Nengneng Yu, Sixian Xiong, Yibo Zhao, Wei Wang, Zaoxing Liu
Abstract: Today's inference-time workloads increasingly depend on timely access to a model's internal states. We present DMI-Lib, a high-speed deep model inspector that treats internal observability as a first-class systems primitive, decoupling it from the inference hot path via an asynchronous observability substrate built from Ring^2, a GPU-CPU memory abstraction for capturing and staging tensors, and a policy-controlled host backend that exports them. DMI-Lib enables the placement of observation points across a rich space of internal signals and diverse inference backends while preserving serving optimizations and adhering to tight GPU memory budgets. Our experiments demonstrate that DMI-Lib incurs only 0.4%--6.8% overhead in offline batch inference and an average of 6% in moderate online serving, reducing latency overhead by 2x-15x compared to existing baselines with similar observability features. DMI-Lib is open-sourced at https://github.com/ProjectDMX/DMI.
Authors: Shourya Bose, Helgi Hilmarsson, Dhruv Suri
Abstract: Neural warm starts can sharply reduce the number of Newton-Raphson iterations required to solve the AC power flow problem, but existing supervised approaches generalize poorly on heavily loaded instances near voltage collapse. We prove a lower bound on the Newton-Raphson iteration count that depends on the direction of the warm start error rather than on its magnitude, and show as a corollary that the bound becomes vacuous as the smallest singular value of the power-flow Jacobian shrinks, identifying the failure mode of supervised regression near the saddle-node bifurcation. Motivated by this analysis, we introduce Newton's Lantern, a finetuning pipeline that combines group relative policy optimization with a learned reward model trained on perturbations of the base model's predictions, using the iteration count itself as the supervisory signal. Across IEEE 118-bus, GOC 500-bus, and GOC 2000-bus benchmarks, Newton's Lantern is the only method that converges on every test snapshot while attaining the smallest mean iteration count.
Authors: Juan Diego Toscano, Zhaojie Chai, George Em Karniadakis
Abstract: Scientific discovery can be modeled as a sequence of probabilistic decisions that map physical problems to numerical solutions. Recent agentic AI systems automate individual scientific tasks by orchestrating LLM-driven planners, solvers, and evaluators. Each method is a combination of methodological actions, with many viable combinations for any given problem and structural dependencies between choices. However, existing frameworks treat each problem in isolation, with no shared substrate to accumulate methodological experience across domains. Here we show that GRAFT-ATHENA, a self-improving agentic framework, learns from past problems and autonomously expands its own action space across diverse domains. GRAFT (Graph Reduction to Adaptive Factored Trees) projects combinatorial decision spaces into factored probabilistic trees in which each method is a single path, taking the parameter footprint from exponential to linear. In the lineage of classical Bayesian networks, the factorization is an $I$-map of the policy, and the resulting paths embed as unique fingerprints in a metric space whose closeness lets each new problem learn from similar past ones. On canonical physics-informed machine learning (PIML) benchmarks, GRAFT-ATHENA improves over human and prior agentic baselines, and on production solvers, it tackles complex engineering problems such as reconstructing Mach-10 flow over the Apollo Command Module from a 1968 report and recovering shear-thinning blood-cell rheology. Notably, the system grows its own knowledge substrate, autonomously proposing regularization constraints for ill-posed inverse problems and discovering new numerical methods such as a spectral PINN with exponential convergence. These results provide a foundation for autonomous laboratories that grow more capable with every problem they solve.
Authors: Justin Deschenaux, Caglar Gulcehre
Abstract: Discrete Diffusion Language Models progressed rapidly as an alternative to autoregressive (AR) models, motivated by their parallel generation abilities. However, for tractability, discrete diffusion models sample from a factorized distribution, which is less expressive than AR. Recent Flow Language Models (FLMs) apply continuous flows to language, transporting noise to data with a deterministic ODE that avoids factorized sampling. FLMs operate on one-hot vectors whose dimension scales with the vocabulary size, making FLMs costly to train. Moreover, since all distinct one-hot embeddings are equidistant in $\ell_2$, adding Gaussian noise does not have a clear semantic interpretation (unlike images, where Gaussian noise progressively degrades structure). We introduce $\mathbb{S}$-FLM, a latent FLM in the hypersphere. $\mathbb{S}$-FLM generates sequences by rotating vectors in $\mathbb{S}^{d-1}$ along a velocity field learned with cross-entropy, avoiding the overhead of materializing one-hot vectors. Previous FLMs match AR in Generative Perplexity (Gen.\ PPL), but samples with high likelihood are not necessarily correct in verifiable domains such as math and code. $\mathbb{S}$-FLM substantially improves continuous flow language models on large-vocabulary reasoning and closes the gap to masked diffusion under standard-temperature sampling ($T=1$), while a gap remains under optimized low-temperature ($T=0.1$) decoding.
Authors: Jonas Petersen, Gian-Alessandro Lombardi, Riccardo Maggioni, Camilla Mazzoleni, Federico Martelli, Philipp Petersen
Abstract: Critical events in multivariate time series, from turbine failures to cardiac arrhythmias, demand accurate prediction, yet labeled data is scarce because such events are rare and costly to annotate. We introduce HEPA (Horizon-conditioned Event Predictive Architecture), built on two key principles. First, a causal Transformer encoder is pretrained via a Joint-Embedding Predictive Architecture (JEPA): a horizon-conditioned predictor learns to forecast future representations rather than future values, forcing the encoder to capture predictable temporal dynamics from unlabeled data alone. Second, we freeze the encoder and finetune only the predictor toward the target event, producing a monotonic survival cumulative distribution function (CDF) over horizons. With fixed architecture and optimiser hyperparameters across all benchmarks, HEPA handles water contamination, cyberattack detection, volatility regimes, and eight further event types across 11 domains, exceeding leading time-series architectures including PatchTST, iTransformer, MAE, and Chronos-2 on at least 10 of 14 benchmarks, with an order of magnitude fewer tuned parameters and, on lifecycle datasets, an order of magnitude less labeled data.
Authors: Emma Andersdotter, Daniel Persson, Fredrik Ohlsson
Abstract: We introduce steerable neural ordinary differential equations on homogeneous spaces $M=G/H$. These models constitute a novel geometric extension of manifold neural ordinary differential equations (NODEs) that transport associated feature vectors transforming under the local symmetry group $H$. We interpret features as sections of associated vector bundles over $M$, and describe their evolution as parallel transport. This results in a coupled system of ODEs consisting of a flow equation on $M$ and a steering equation acting on features. We show that steerable NODEs are $G$-equivariant whenever the vector field generating the flow and the connection governing parallel transport are both $G$-invariant. Furthermore, we demonstrate how steerable NODEs incorporate existing NODE models and continuous normalizing flows on Lie groups. Our framework provides the geometric foundation for learning continuous-time equivariant dynamics of general vector-valued features on homogeneous spaces.
Authors: Christian Moya, Alex Semendinger, Guang Lin, Elliott Thornley
Abstract: Preference learning methods such as Direct Preference Optimization (DPO) are known to induce reliance on spurious correlations, leading to sycophancy and length bias in today's language models and potentially severe goal misgeneralization in future systems. In this work, we provide a unified theoretical analysis of this phenomenon, characterizing the mechanisms of spurious learning, its consequences on deployment, and a provable mitigation strategy. Focusing on log-linear policies, we show that standard preference-learning objectives induce reliance on spurious features at the population level through two channels: mean spurious bias and causal--spurious correlation leakage. We then show that this reliance creates an irreducible vulnerability to distribution shift: more data from the same training distribution fails to reduce the model's dependence on spurious features. To address this, we propose tie training, a data augmentation strategy using ties (equal-utility preference pairs) to introduce data-driven regularization. We demonstrate that this approach selectively reduces spurious learning without degrading causal learning. Finally, we validate our theory on log-linear models and provide empirical evidence that both the spurious learning mechanisms and the benefits of tie training persist for neural networks and large language models.
Authors: Nikolaos Nakis, Panagiotis Promponas, Konstantinos Tsirkas, Katerina Mamali, Eftychia Makri, Leandros Tassiulas, Nicholas A. Christakis
Abstract: Graph representation learning has become a standard approach for analyzing networked data, with latent embeddings widely used for link prediction, community detection, and related tasks. Yet a basic design choice, the latent dimension, is still treated as a brittle hyperparameter, fixed before training and tuned by held-out performance. Learned factors are also identifiable only up to rotation and rescaling, so the nominal rank rarely coincides with the quantity that governs model behavior. We propose Spectral Prefix Extraction and Capacity-Targeted Representation Analysis (Spectra), which replaces rank as the unit of analysis with the spectrum of a learned positive semidefinite kernel, trace-normalized so that spectra are comparable across fits. The normalized eigenvalues form a distribution on the simplex, and their Shannon effective rank acts both as a summary of learned capacity and as a controllable training-time coordinate: a single scalar shapes this realized dimension during training, and bisection targets any desired value within the rank cap. To theoretically support that, we show local regularity and monotonicity of the realized-dimension profile. Across collaboration, social, biological, and infrastructure networks, Spectra traces performance--capacity frontiers that make the trade-off between predictive accuracy and realized dimension visible. It performs competitively with strong link-prediction baselines, yields aligned lower-capacity views of the same fitted model through spectral prefixes, and provides a principled handle on capacity in the overparameterized regime. Capacity thus becomes a property of the fitted model rather than a hyperparameter of the training.
Authors: Yingqi Zeng, Luying Wang, Huiling Zhu
Abstract: Knowledge graph completion (KGC) aims to automatically infer missing facts in multi-relational data by mapping entities and relations into continuous representation spaces. Recent region-based embedding models have shown great promise in capturing complex logical patterns by representing relations as geometric regions. However, these models inevitably suffer from absolute boundary constraints during optimization. Conversely, without such constraints, relation regions expand indefinitely. To address the limitation, we propose \textbf{CORE} (Cyclic Orthotope Relation Embedding), a novel KGC model that embeds entities and relations onto a boundary-less torus manifold.CORE represents relations as cyclic orthotopes on the torus manifold, allowing regions to seamlessly wrap around spatial boundaries to ensure smooth gradient conduction. Furthermore, an adaptive width regularization is introduced to prevent unconditional region expansion. Theoretical analysis proves that CORE can capture various complex relation patterns such as subsumption and intersection. Extensive experiments on four benchmark datasets demonstrate that CORE achieves highly competitive performance, significantly improving link prediction accuracy in dense semantic environments.
Authors: Hadas Orgad, Fazl Barez, Tal Haklay, Isabelle Lee, Marius Mosbach, Anja Reusch, Naomi Saphra, Byron Wallace, Sarah Wiegreffe, Eric Wong, Ian Tenney, Mor Geva
Abstract: Interpretability aims to explain the behavior of deep neural networks. Despite rapid growth, there is mounting concern that much of this work has not translated into practical impact, raising questions about its relevance and utility. This position paper argues that the central missing ingredient is not new methods, but evaluation criteria: interpretability should be evaluated by actionability--the extent to which insights enable concrete decisions and interventions beyond interpretability research itself. We define actionable interpretability along two dimensions--concreteness and validation--and analyze the barriers currently preventing real-world impact. To address these barriers, we identify five domains where interpretability offers unique leverage and present a framework for actionable interpretability with evaluation criteria aligned with practical outcomes. Our goal is not to downplay exploratory research, but to establish actionability as a core objective of interpretability research.
Authors: Ben Rachmut, Luise Ge, William Yeoh, Ning Zhang, Yevgeniy Vorobeychik
Abstract: Federated learning (FL) in heterogeneous environments remains challenging because client models often differ in both architecture and data distribution. While recent approaches attempt to address this challenge through client clustering and knowledge distillation, simultaneously handling architectural and statistical heterogeneity remains difficult. We introduce COSMOS, a model-agnostic framework that enables server-side personalization using only pseudo-label communication. Clients train local models and predict on the public data; the server clusters clients by prediction similarity, trains a cluster-specific model for each group using its own compute, and distills the resulting models back to clients. We provide the first theoretical analysis showing that distillation from the learned cluster models can yield exponential personalization risk contraction, going beyond the convergence-to-stationarity guarantees typically provided in model-agnostic FL. Experiments across benchmarks demonstrate that COSMOS consistently outperforms all model-agnostic FL baselines while remaining competitive with state-of-the-art personalized FL methods. More broadly, our results highlight personalized server-side learning with pseudo-labels as a promising paradigm for scalable and model-agnostic federated learning in highly heterogeneous environments.
Authors: Ahmed Mehdi Inane, Vincent Quirion, Gintare Karolina Dzugaite, Ioannis Mitliagkas
Abstract: Noise-based certified machine unlearning currently faces a hard ceiling: the noise magnitude required to certify unlearning typically destroys model utility, particularly for large-scale deletion requests. While leveraging public data is a standard technique in differential privacy to relax this tension, its role in unlearning remains unexplored. We address this gap by introducing Asymmetric Langevin Unlearning (ALU), a framework that uses public data to mitigate privacy costs. We prove that public data injection suppresses the unlearning cost by a factor of $O(1/n_{\mathrm{pub}}^2)$, guaranteeing a strict computational advantage over retraining. This establishes a new control mechanism: practitioners can mitigate the need for high noise-and the associated utility loss-by increasing the volume of public data. Crucially, we analyze the realistic setting of distribution mismatch, explicitly characterizing how shifts between public and private sources impact utility. We show that ALU enables mass unlearning of constant dataset fractions -- a regime where standard symmetric methods become impractical -- while maintaining high utility. Empirical evaluations using variational R\'enyi divergence and membership inference attacks confirm that ALU effectively thwarts privacy attacks while preserving utility under reasonable distribution shifts.
Authors: Thomas Pethick, Wanyun Xie, Roman Machacek, Volkan Cevher
Abstract: We introduce SODA, a generalization of Optimistic Dual Averaging, which provides a common perspective on state-of-the-art optimizers like Muon, Lion, AdEMAMix and NAdam, showing that they can all be viewed as optimistic instances of this framework. Based on this framing, we propose a practical SODA wrapper for any base optimizer that eliminates weight decay tuning through a theoretically-grounded $1/k$ decay schedule. Empirical results across various scales and training horizons show that SODA consistently improves performance without any additional hyperparameter tuning.
Authors: Arif D\"onmez, Axel Mosig, Ellen Fritsche, Katharina Koch
Abstract: Neural Sheaf Diffusion (NSD) generalizes diffusion-based Graph Neural Networks by replacing scalar graph Laplacians with sheaf Laplacians whose learned restriction maps define a task-adapted geometry. While the diffusion limit of NSD is known to be the space of global sections, the representation-theoretic structure of this harmonic space remains largely implicit. We develop a quiver-theoretic interpretation of NSD by identifying cellular sheaves on graphs with representations of the associated incidence quiver. Under this correspondence, learned sheaf geometries become points in a finite-dimensional representation space. We show that direct-sum decompositions of the underlying incidence-quiver representation induce decompositions of the harmonic space reached in the diffusion limit. This gives an algebraic interpretation of oversmoothing as representation degeneration: learned sheaves may collapse toward low-complexity summands whose global sections fail to preserve discriminative information. Building on this viewpoint, we connect sheaf diffusion to stability and moment-map principles from Geometric Invariant Theory. We introduce moment-map-inspired regularizers that bias restriction maps toward balanced representation geometries, and identify a structural obstruction in equal-stalk architectures: when $d_v = d_e$, admissibility for learnable stability parameters forces the trivial all-object summand onto a stability wall. Non-uniform stalk dimensions remove this obstruction, making adaptive stability meaningful. Experiments on heterophilic benchmarks are consistent with this mechanism: breaking stalk symmetry can reduce variance or improve validation behavior, and adaptive stability becomes more effective in selected rectangular settings. Overall, our framework reframes oversmoothing as a degeneration phenomenon in the representation geometry underlying learned sheaf diffusion.
Authors: Zakhar Shumaylov, Natha\"el Da Costa, Peter Zaika, B\'alint Mucs\'anyi, Alex Massucco, Yoav Gelberg, Carola-Bibiane Sch\"onlieb, Yarin Gal, Philipp Hennig
Abstract: The recent empirical success of the Muon optimizer has renewed interest in non-Euclidean optimization, typically justified by similarities with second-order methods, and linear minimization oracle (LMO) theory. In this paper, we challenge this geometric narrative through three contributions, demonstrating that precise geometric structure is not the key factor affecting optimization performance. First, we introduce Freon, a family of optimizers based on Schatten (quasi-)norms, powered by a novel, provably optimal QDWH-based iterative approximation. Freon naturally interpolates between SGD and Muon, while smoothly extrapolating into the quasi-norm regime. Empirically, the best-performing Schatten parameters for GPT-2 lie strictly within the quasi-norm regime, and thus cannot be represented by any unitarily invariant LMO. Second, noting that Freon performs well across a wide range of exponents, we introduce Kaon, an absurd optimizer that replaces singular values with random noise. Despite lacking any coherent geometric structure, Kaon matches Muon's performance and retains classical convergence guarantees, proving that strict adherence to a precise geometry is practically irrelevant. Third, having shown that geometry is not the primary driver of performance, we demonstrate it is instead controlled by two local quantities: alignment and descent potential. Ultimately, each optimizer must tune its step size around these two quantities. While their dynamics are difficult to predict a-priori, evaluating them within a stochastic random feature model yields a precise insight: Muon succeeds not by tracking an ideal global geometry, but by guaranteeing step-size optimality.
Authors: Yuning Han, Yangchenchen Jin, Dylan Zhao, Jingwei Sun
Abstract: Auto-regressive decoding in Large Language Models (LLMs) is inherently memory-bound: every generation step requires loading the model weights and intermediate results from memory (e.g., High-Bandwidth Memory (HBM) for GPU servers), making throughput bottlenecked by memory bandwidth rather than compute. Speculative decoding addresses this by enabling parallel verification of multiple draft tokens, effectively amortizing the cost of each target-model call. However, existing speculative decoding methods are designed under the assumption that HBM is sufficiently large to hold both the target model and an auxiliary draft model simultaneously -- an assumption that breaks down on memory-constrained devices such as edge platforms with limited DRAM. We analyze the inference bottleneck in this memory-limited regime and propose CATS, a self-speculative decoding framework that conducts cascaded verification and correction based on the memory budget and parameter offloading patterns on memory-limited devices. This design maximizes token acceptance rate and end-to-end speedup while keeping the peak memory footprint on the device equal to that of the target model alone. We evaluate CATS on different models across five benchmarks on real edge devices. CATS can achieve a wall-clock speedup of up to 5.08x with no degradation in generation quality, outperforming the SOTA method by up to 1.45x under edge memory constraints.
Authors: Ziwei Xie
Abstract: Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two fundamental aspects of this problem using deep learning: domain-specific architectures that capture the hierarchical nature of protein structures, and search algorithms that efficiently navigate the vast sequence spaces of protein complexes to identify interacting homologs for improving complex structure prediction and to design protein sequences.
Authors: Vishal Pandey, Gopal Singh
Abstract: Linear attention reduces the quadratic cost of softmax attention to $\mathcal{O}(T)$, but its memory state grows as $\mathcal{O}(T)$ in Frobenius norm, causing progressive interference between stored associations. We introduce \textbf{Variational Linear Attention} (VLA), which reframes the memory update as an online regularised least-squares problem with an adaptive penalty matrix maintained via the Sherman-Morrison rank-1 formula. We prove that normalising the write direction to unit length gives the recurrence Jacobian spectral norm exactly $1$ for all sequence lengths and head dimensions (Proposition 2), and that the state norm is self-limiting under bounded inputs (Proposition 1). Empirically, VLA reduces $\|S_t\|_F$ by $109\times$ relative to standard linear attention at $T{=}1{,}000$, achieves near-perfect exact-match accuracy on multi-query associative recall within the effective per-head memory regime ($n_\text{pairs} < d_h$), maintaining substantially higher retrieval performance than DeltaNet and standard linear attention under increasing memory load, and maintains 62\% accuracy at the per-head capacity boundary. A Triton-fused kernel achieves $14\times$ speedup over sequential Python and $\mathcal{O}(T)$ scaling, crossing below softmax attention latency at approximately 43\,000 tokens.
Authors: Elias B. Krey, Nils Neukirch, Nils Strodthoff
Abstract: Intermediate feature representations represent the backbone for the expressivity and adaptability of deep neural networks. However, their geometric structure remains poorly understood. In this submission, we provide indirect insights into this matter by applying a broad selection of manipulations in input space, ranging from geometric and photometric transformations to local masking and semantic manipulations using generative image editing models, and assess the feasibility of learning a mapping in the feature space, mapping from the original to the manipulated feature map. To this end, we devise different types of mappings, from linear to non-linear and local to global mappings and assess both the reconstruction quality of the mapping as well as the semantic content of the mapped representations. We demonstrate the feasibility of learning such mappings for all considered transformations. While global (transformer) models that operate on the full feature map often achieve best results, we show that the same can be achieved with a shared linear model operating on a single feature vector typically with very little degradation in reconstruction quality, even for highly non-trivial semantic manipulations. We analyze the corresponding mappings across different feature layers and characterize them according to dominance of weight vs. bias and the effective rank of the linear transformations. These results provide hints for the hypothesis that the feature space is to a first degree of approximation organized in linear structures. From a broader perspective, the study demonstrates that generative image editing models might open the door to a deeper understanding of the feature space through input manipulation.
Authors: Jung Min Kang
Abstract: Benchmark evaluation across AI and safety-critical domains overwhelmingly relies on simple averaging. We demonstrate that this practice produces substantially misleading rankings when two conditions co-occur: (1) the evaluation matrix is sparse and (2) items vary substantially in difficulty. Through controlled simulation experiments across four domains -- NLP (GLUE), clinical drug trials, autonomous vehicle safety, and cybersecurity -- we show that Spearman rank correlation $\rho$ between simple-average rankings and ground-truth rankings degrades from $\rho = 1.000$ at 100% coverage to $\rho = 0.809$ at 67% coverage with high difficulty heterogeneity (mean over 20 seeds). A standard two-parameter logistic (2PL) Item Response Theory (IRT) model maintains $\rho \geq 0.996$ across all conditions. A 150-condition grid sweep over sparsity $S \in [0, 0.70]$ and difficulty gap $D \in [0.5, 5.0]$ confirms that ranking error forms a failure surface with a strong $S \times D$ interaction ($\gamma_3 = +0.20$, $t = 13.05$), while IRT maintains $\rho \geq 0.993$ throughout. We discuss implications for Physical AI benchmarking, where evaluation matrices are often incomplete and difficulty gaps are extreme.
Authors: Eungyeup Kim, Chenchen Gu, Vashisth Tiwari, J. Zico Kolter
Abstract: While existing benchmarks demonstrate the near-perfect performance of large language models (LLMs) on various tasks, this apparent saturation often obscures the need for rigorous evaluation of their reliability. In real-world deployment, however, achieving extremely high reliability (e.g., "five-nines" (99.999%) vs. "three-nines" (99.9%)) is fundamentally critical, as this gap results in an order-of-magnitude increase in failures, which is catastrophic in reliability-critical applications. Still, estimating such a rare failure probability with tight confidence bounds requires prohibitively large LLM inference sizes, making standard Monte Carlo evaluation infeasible under limited compute budgets. In this paper, we observe that LLM failures exhibit strong systematic patterns: across broad parameterized input spaces, a small subset of inputs disproportionately accounts for the majority of failures. Leveraging this observation, we propose to learn a sampling distribution concentrated on failure-prone inputs via the cross-entropy method (CEM). We evaluate our framework on three LLMs, Qwen2.5-Math-7B-Instruct, gpt-oss-20b-low, and Gemini 2.5 Flash Lite, across parameterized GSM8K templates and achieve up to 156.22x reduction in required inferences compared to naive uniform sampling. Our estimates reveal that models with indistinguishable accuracy on standard benchmarks can differ substantially in estimated failure rates, underscoring that reliability is a distinct and measurable axis of model quality. Our simple yet practical framework enables the evaluation of extreme reliability in LLMs, a distinct and underexplored dimension of evaluation beyond existing benchmarks, for their growing use in reliability-sensitive applications.
Authors: Noah Trupin, Yexiang Xue
Abstract: Hard constraints in generative sampling are typically enforced by projection, applied either once at the end of sampling or after every update. This binary framing overlooks a fundamental issue: projection changes the distribution of states which future updates depend on. As a result, delayed projection can produce samples that are feasible but inconsistent with the intended sampling dynamics, even after final projection. We formalize constraint enforcement as a correction scheduling problem over the generative rollout. Using one-step constraint defect as a local signal of geometric mismatch, we introduce adaptive correction scheduling, a state-dependent policy that allocates projection budget to the steps that most strongly perturb the trajectory. Terminal and stepwise projection arise as limiting cases of this family. Across controlled manifold rollouts and a learned projected diffusion sampler, adaptive scheduling improves the cost-accuracy frontier at matched projection budgets, recovering 71.2% of full stepwise benefit with 75% fewer corrections. These results show that constraint timing is a first-class design variable in generative sampling, and that enforcing feasibility alone is insufficient to preserve the intended constrained sampling dynamics.
Authors: John T. Halloran
Abstract: Large language model (LLM) alignment algorithms typically consist of post-training over preference pairs. While such algorithms are widely used to enable safety guardrails and align LLMs with general human preferences, we show that state-of-the-art alignment algorithms require significant computational resources while being far less capable of enabling refusal guardrails for recent agentic attacks. Thus, to improve refusal guardrails against such attacks without drastically increasing computational overhead, we introduce Retrieval Augmented Generation for Pref erence alignment (RAG-Pref), a simple RAG-based alignment algorithm which conditions on preferred and dispreferred samples to leverage contrastive information during inference. RAG-Pref is online (training-free), compatible with off-the-shelf packages, and, when combined with offline (training-based) alignment algorithms, enables more than an average 3.7 factor improvement in agentic attack refusals across five widely used LLMs, compared to 2.9 for other online alignment algorithms and 1.5 for offline alignment alone. We conclude by showing that, in stark contrast to other online alignment methods, RAG-Pref similarly increases performance on general human-preference alignment tasks and does not drastically increase overall computational requirements.
Authors: Ryan Lucas, Mehdi Makni, Xiang Meng, Adam Deng, Rahul Mazumder
Abstract: Quantization is an effective strategy to reduce the storage and computation footprint of large language models (LLMs). Post-training quantization (PTQ) is a leading approach for compressing LLMs. Popular weight quantization procedures, including GPTQ and RTN, suffer in model utility, especially at aggressive quantization levels (sub-4-bit). We propose ADMM-Q, a novel weight quantization algorithm that considers the layer-wise quantization problem. Our algorithm is based on a combinatorial variant of the Alternating Direction Method of Multipliers (ADMM). Our operator-splitting procedure updates weights continuously to minimize the layer-wise reconstruction error, while gradually enforcing the quantization constraints with convergence guarantees. We propose additional algorithmic enhancements (e.g., penalty scheduling, preconditioning, and a local search post-processing step) to make ADMM-Q efficient at LLM scale. ADMM-Q is modular and can be used as a drop-in replacement for any weight quantizer within existing quantization pipelines: ADMM-Q is fully composable with existing techniques including range clipping, learned or random rotations, and activation scaling. Using ADMM-Q in place of GPTQ on Qwen3-8B, we decrease WikiText-2 perplexity in: (i) the W3A16 weight-only setting (12.85 $\rightarrow$ 10.06); (ii) the W4A8 SmoothQuant procedure (9.29 $\rightarrow$ 8.68); and (iii) the W2A4KV4 SpinQuant procedure (66.11 $\rightarrow$ 19.42).
Authors: Abhishek Moturu, Anna Goldenberg, Babak Taati
Abstract: Synthetic data is useful only when the added samples fill missing parts of the training distribution that matter for the downstream task. We introduce LiBaGS, a lightweight, generator-agnostic method for targeted synthetic training data selection. LiBaGS scores candidate synthetic samples by combining decision-boundary proximity, predictive uncertainty, real-data density, and support validity, so that selected samples are both informative and likely to remain on the real data manifold. We then use a boundary-gap allocation rule that targets sparse but realistic decision-boundary neighborhoods, rather than simply adding more data or selecting only the most uncertain candidates. LiBaGS also learns when enough synthetic samples have been added through a marginal-value stopping rule, assigns softer labels near ambiguous boundaries, and uses a diversity objective to avoid redundant near-duplicate selections. Experiments show that LiBaGS improves accuracy over classical oversampling, hard augmentation, uncertainty and density ablations, and targeted-generation selection criteria.
Authors: Ali Soltani, Gabriel Kronberger, Fabricio Olivetti de Franca, Mattia Billa, Alessandro Lucantonio
Abstract: Effective model selection is critical in symbolic regression (SR) to identify mathematical expressions that balance accuracy and complexity, and have low expected error on unseen data. Many modern implementations of genetic programming (GP) for SR generate a set of Pareto optimal candidate solutions, but reliable automatic selection of solutions that generalize well remains an open issue. Current literature offers various information-theoretic and Bayesian approaches, yet comprehensive comparisons of their performance across different data regimes are limited. This study presents a systematic empirical comparison of widely used selection criteria: the Akaike information criterion (AIC), the corrected AIC (AICc), the Bayesian information criterion (BIC), minimum description length (MDL), as well as Efron's bootstrap estimate for the in-sample prediction error on seven synthetic datasets with Gaussian noise. We rank candidate expressions generated by perturbing ground-truth functions to assess generalization error and selection probability of the ground-truth expression. Our findings reveal that MDL consistently identifies models with the lowest test error and the shortest length across most datasets. While no single criterion dominates all results, MDL and BIC produced the highest probability of selecting the ground-truth expressions.
Authors: Han Zheng, Yining Ma, Karthick Gunasekaran, Bharathan Balaji, Zheng Du, Shiv Vitaladevuni, Cathy Wu
Abstract: In LLM Reinforcement Fine-Tuning (RFT), curriculum learning drives both efficiency and performance. Yet, current methods externalize curriculum judgment via handcrafted heuristics or auxiliary models, risking misalignment with the policy's training dynamics. In this paper, we introduce METIS (METacognitive Internalized Self-judgment), a novel framework that internalizes curriculum judgment as a native capability. Leveraging a critical observation that within-prompt reward variance effectively gauges prompt informativeness, METIS predicts this metric based on recent training outcomes as lightweight in-context learning examples. This intrinsic self-judgment then dynamically dictates the training allocation. Moreover, METIS closes the loop between judgment and optimization by jointly optimizing the standard RFT rewards and a self-judgment reward. This allows the policy to learn what to learn next, as a form of metacognition. Across extensive discrete and continuous RFT benchmarks from mathematical reasoning, code generation, to agentic function-calling, METIS consistently delivers superior performance while accelerating convergence by up to 67%. By bypassing handcrafted heuristics and auxiliary models, our work establishes a simple, closed-loop, and highly efficient curriculum internalization paradigm for LLM reinforcement fine-tuning.
Authors: Yongsen Tan, Zhecheng Sheng, Xiruo Ding, Serguei V. S. Pakhomov, Trevor Cohen
Abstract: Despite the burgeoning body of work on distribution shifts, provenance shift-where the relationship between data source and label changes at deployment-remains poorly understood and under-addressed. In this paper, we establish a formal connection between provenance shift, counterfactual invariance, and invariant learning to derive a learning objective for robustness. We then introduce \textsc{DeconDTN-Toolkit}, a specialized evaluation and remediation suite designed to simulate provenance shifts of varying degrees while maintaining the training protocol and the infrastructure of existing benchmarks. We reveal the vulnerability of Empirical Risk Minimization under provenance shift, introduce a robust out-of-distribution performance indicator, and conduct a comprehensive evaluation on existing algorithms. Our work provides both the theoretical grounding and the practical tools necessary to characterize the problem of confounding by provenance, and implementations of methods to mitigate it.
Authors: Zhenhuan Sun, Shahrokh Valaee
Abstract: In this paper, we present a dual representation of the influence functions, whose computational complexity scales with dataset size rather than model size. Both analytically and experimentally, we show that this representation can be an efficient alternative to the original influence functions for estimating changes in parameters, model outputs and loss due to data point removal, when model size is large relative to dataset size, or when evaluating the original influence functions in parameter space is infeasible. The dual representation, however, is limited to linearizable models, which are models whose behavior can be approximated by their linearizations throughout training, and requires materializing a matrix, whose size grows with the product of model output dimension and dataset size.
Authors: Yonghan Yang, Ye Yuan, Zipeng Sun, Linfeng Du, Bowei He, Haolun Wu, Can Chen, Xue Liu
Abstract: Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically bifurcate into inverse methods, which struggle with the ill-posed nature of mapping scores to designs, and forward methods, which often lack the distributional expressivity to quantify uncertainty effectively. In this work, we propose SPADE (Support-Proximity Augmented Diffusion Estimation), a novel framework that reimagines forward surrogate modeling through the lens of conditional generative modeling. SPADE models the forward likelihood p(y|x) using a diffusion model, but with two critical enhancements to tailor it for optimization: (1) a Calibrated Diffusion Estimation module that enforces global consistency in statistical moments and pairwise rankings, and (2) a Support-Proximity Regularization mechanism that implicitly internalizes the data manifold constraint p(x) via kNN-based density estimation. Theoretically, we prove that our regularization is first-order equivalent to maximizing a Bayesian posterior with a valid design prior. Empirically, SPADE achieves state-of-the-art performance across Design-Bench tasks and an LLM data mixture optimization benchmark.
Authors: Zarrin Monirzadeh
Abstract: This paper presents a proof-of-concept digital twin framework for simulation-driven diabetes modeling using benchmark clinical data, synthetic temporal augmentation, and illustrative continuous glucose monitoring (CGM) analysis. Unlike traditional predictive models, the framework focuses on generating interpretable simulated trajectories rather than clinically validated outcomes. Evaluation is conducted using a public dataset combined with controlled synthetic scenarios to illustrate temporal behavior and intervention effects. Results illustrate the feasibility of integrating prediction with counterfactual simulation for decision-aware analysis. This work does not claim clinical readiness but provides a foundation for future research on simulation-driven digital twin systems in healthcare.
Authors: Jincheng Cao, Fanzhi Zeng, Leqi Liu, Aryan Mokhtari
Abstract: Knowledge distillation is a key technique for transferring the capabilities of large language models (LLMs) into smaller, more efficient student models. Existing distillation approaches often overlook two critical factors: the learning order of training data and the capacity mismatch between teacher and student models. This oversight limits distillation performance, as manifested by the counter-intuitive phenomenon where stronger teachers fail to produce better students. In this work, we propose Curriculum Learning-Guided Progressive Distillation (CLPD), a unified framework that explicitly accounts for both factors by aligning data difficulty with teacher strength. CLPD constructs an explicit curriculum by organizing training examples from easy to hard, while simultaneously applying an implicit curriculum over supervision signals by progressively scheduling teachers of increasing capacity. Our framework is modular and can be integrated into standard distillation algorithms with minimal overhead. Empirical results on the reasoning benchmarks demonstrate that CLPD consistently outperforms standard distillation, data ordering alone, and teacher scheduling alone across multiple settings. These findings highlight the importance of jointly considering data ordering and teacher capacity when distilling reasoning abilities into small language models.
Authors: Carson Dudley, Samet Oymak
Abstract: Chain-of-thought and more broadly test-time compute are known to augment the expressive capabilities of language models and have led to major innovations in reasoning. Motivated by this success, this paper explores latent chain-of-thought as well as the impact of depth and looping for time-series and tabular data. We propose a recurrent scheme in which a structured-data transformer, after an initial forward pass, compresses its query-position hidden states into feedback tokens that are appended to the input and processed again, allowing multiple rounds of latent computation before prediction. We compare CoT models against a same-depth no-CoT baseline, a deeper baseline matched to the CoT model in effective depth, and a looped transformer with weight-tied recurrence but no additional chain-of-thought tokens. Across 36 datasets in time-series forecasting and tabular prediction, latent chain-of-thought improves over the baseline on 8/9 time-series datasets (+10.99\% average gain) and 22/27 tabular datasets (+5.31\% average gain). Across both settings, the CoT models perform the best on average. These results demonstrate that chain-of-thought is a useful axis for scaling test-time compute for structured data.
Authors: Suryaa Veerabathiran Seran, Ashwin Naresh Kumar, Tracy Holloway King, Jing Zheng
Abstract: Adobe Express is expanding internationally, but the US has a disproportionately large content supply and interaction volume. Learning-to-rank (LTR) models trained primarily on behavioral feedback inherit this imbalance: templates popular in US are over-served in non-US locales. This cross-locale exposure bias suppresses local content discoverability and degrades ranking quality in growth locales. We show that click-only training suppresses semantically informative localization features. Adding vision-language model (VLM) graded relevance labels as auxiliary supervision alongside clicks improves semantic alignment but does not preserve local content visibility. We propose a multi-objective framework combining behavioral supervision, VLM-derived relevance signals, and locale-aware boosting. Across five locales, the resulting model improves relevance while restoring stable localization, demonstrating the importance of disentangling exposure from semantic supervision.
Authors: Jevon Twitty, Vinh Pham, Nitiwith Rotchanarak, Viresh Pati, Yubin Kim, Shihao Yang, Jiecheng Lu
Abstract: A persistent paradox in time-series forecasting is that structurally simple MLP and linear models often outperform high-capacity Transformers. We argue that this gap arises from a mismatch in the sequence-modeling primitive: while many time-series dynamics are governed by global temporal operators (e.g., filtering and harmonic structure), standard attention forms each output as a convex combination of inputs. This restricts its ability to represent signed and oscillatory transformations that are fundamental to temporal signal processing. We formalize this limitation as a simplex-constrained mixing bottleneck in softmax attention, which becomes especially restrictive for operator-driven time-series tasks. To address this, we propose $\textbf{Temporal Operator Attention (TOA)}$, a framework that augments attention with explicit, learnable sequence-space operators, enabling direct signed mixing across time while preserving input-dependent adaptivity. To make dense $N \times N$ operators practical, we introduce Stochastic Operator Regularization, a high-variance dropout mechanism that stabilizes training and prevents trivial memorization. Across forecasting, anomaly detection, and classification benchmarks, TOA consistently improves performance when integrated into standard backbones such as PatchTST and iTransformer, with particularly strong gains in reconstruction-heavy tasks. These results suggest that explicit operator learning is a key ingredient for effective time-series modeling.
Authors: Ege C. Kaya, Aliasghar Pourghani, Vijay Gupta, Abolfazl Hashemi
Abstract: Average-reward reinforcement learning requires estimating the gain and the bias, which is defined only up to an additive constant. This makes direct distributional analogues ill-posed on the real line. We introduce a quotient-space formulation in which state-indexed bias laws are identified up to a common translation, together with a categorical parameterization that respects this symmetry. On this quotient-categorical space, we define a projected average-reward distributional operator and show that it is well-defined, non-expansive in a coordinate Cram\'er metric, and admits fixed points. We then study sampled recursions whose mean-field maps are asynchronous relaxations of this operator. In an idealized centered-reward setting, a one-state temporal-difference update enjoys almost sure convergence together with finite-iteration residual bounds under both i.i.d. and Markovian sampling. When the gain is unknown, we augment the recursion with an online gain estimator, and prove non-expansiveness and Markovian convergence of the resulting coupled scheme. Finally, we show that synchronous exact updates are gain-independent at the quotient-law level, isolating a structural contrast between ideal quotient distributions and practical fixed-grid categorical representations.
Authors: Thuan Nguyen, Shuchin Aeron, D. Richard Brown III, Prakash Ishwar
Abstract: In this paper, we provide a computable characterization of the geometry of optimal representations in Contrastive Learning (CL) when the classes are imbalanced. When classes are balanced and the representation dimension is greater than the number of classes, it is well-known that the optimal representations exhibit Neural Collapse (NC), i.e., representations from the same class collapse to their class means and the class means form an Equiangular Tight Frame (ETF). For imbalanced classes and a large, generalized family of CL losses, we prove that the optimal representations of all samples from the same class collapse to their class means and their geometry exhibits an angular symmetry structure that is determined by the relative class proportions. In general, we show that the geometry can be determined by solving a convex optimization problem. Exploiting this symmetry structure, we analytically investigate a special case where class imbalance is extreme and prove that CL exhibits a phenomenon called Minority Collapse (MC) where all samples from the minority classes (classes with small probabilities) collapse into a single vector, whenever the class imbalance exceeds a threshold, which in turn depends on the regularity properties of the CL loss used and on the number of negative samples. Numerical results are provided to illustrate these phenomena and corroborate the theoretical results. We conclude by identifying a number of open problems.
Authors: Yizhu Jiao, Ruixiang Zhang, Richard Bai, Jiawei Han, Ronan Collobert, Yizhe Zhang
Abstract: Code generation is typically trained in the primal space of programs: a model produces a candidate solution and receives sparse execution feedback, often a single pass/fail bit. Test-time scaling enriches the inference procedure by sampling multiple candidates and judging among them, but the comparative information this process reveals is discarded after inference. We argue that this information defines a dual judgment space that provides a far richer training signal: the model learns not from an isolated success or failure, but from the relative correctness structure across its own plausible attempts, identifying which succeed, which fail, and what distinguishes them. We introduce DuST (Dual Self-Training), a framework for self-training from the dual judgment space. DuST samples candidate programs from the model's own distribution, labels them through sandbox execution, retains groups containing both successes and failures, and trains the model to rank candidates by execution correctness using GRPO. The objective is purely discriminative: the model is never directly rewarded for generating correct programs. Dual self-training improves both judgment and generation. Across five models spanning two families and three scales (4B to 30B), DuST consistently improves Best-of-4 test-time scaling on LiveCodeBench. For Qwen3-30B-Thinking on LiveCodeBench v6, judgment quality improves by +6.2 NDCG, single-sample pass@1 improves by +3.1, and Best-of-4 accuracy improves by +4.1. The trained model's single rollout matches the base model's Best-of-4 performance. SFT on the same ranking data improves judgment without improving generation, confirming that on-policy RL is the mechanism that transfers dual-space learning back into primal generation.
Authors: Atul Ganju, Travis McVoy, Shaddin Dughmi, Shang-Hua Teng
Abstract: We study language generation in the limit under a global preference ordering on strings, as introduced by Kleinberg and Wei. As in [arXiv:2504.14370, arXiv:2511.05295], we aim for \emph{breadth}, but impose an additional requirement of timeliness: higher-ranked strings should be generated earlier. A string is then only credited if it is generated before a deadline, where its deadline is defined by a function that maps a string's rank in the target language to the time by which it must be produced. This is in keeping with a central consideration in machine learning, where inductive bias favors ``simpler'' or ``more plausible'' outputs, all else being equal. We show that timely generation is impossible in a strong sense for eventually consistent generators -- the protagonists of most prior related work. Under what is perhaps the mildest natural relaxation of consistency, a hallucination rate that vanishes over time, we show that we can circumvent our impossibility result. In particular, we can achieve optimal density with respect to any superlinear deadline function. We also show this is tight by ruling out timely generation with linear deadlines and vanishing hallucination rate.
Authors: Jing Jia, Liyue Shen, Guanyang Wang
Abstract: Diffusion models typically generate image batches from independent Gaussian initial noises. We argue that this independence assumption is only one choice within a broader class of valid joint noise designs. Instead, one can specify a coupling of the initial noises: each noise remains marginally standard Gaussian, so the pretrained diffusion model receives the same single-sample input distribution, while the dependence across samples is chosen by design. This reframes initial-noise control from selecting or optimizing individual seeds to designing the dependence structure of a multi-sample gallery. This view gives a general framework for initial-noise design, covering several existing methods as special cases and leading naturally to new coupled-noise constructions. Coupled noise can improve generation on its own without adding sampling cost, and it is flexible enough to serve as a structured initialization for optimization-based pipelines when additional computation is available. Empirically, repulsive Gaussian coupling improves gallery diversity on SD1.5, SDXL, and SD3 while largely preserving prompt alignment and image quality. It matches or outperforms recent test-time noise-optimization baselines on several diversity metrics at the same sampling cost as independent generation. Subspace couplings also support fixed-object background generation, producing diverse, natural backgrounds compared with specialized inpainting baselines, with a tunable trade-off in foreground fidelity.
Authors: Maricela Best McKay, Nathan P. Lawrence, Brian Wetton, R. Bhushan Gopaluni
Abstract: The Gauss-Newton matrix is widely viewed as a positive semidefinite approximation of the Hessian, yet mounting empirical evidence shows that Gauss-Newton descent outperforms Newton's method. We adopt a function space perspective to analyze this phenomenon. We show that the generalized Gauss-Newton (GGN) matrix projects the Newton direction in function space onto the model's tangent space, while a Jacobian-only variant obtained by applying the least squares Gauss-Newton matrix to non-least squares losses projects the function space loss gradient onto this same tangent space. Both projections eliminate distortions from the model's parameterization. Specifically, the evolution of the prediction-target mismatch depends on the model's parameterization through the matrix $JJ^\top$ where $J$ is the Jacobian of the model with respect to its parameters. The projections effectively replace $JJ^\top$ with the identity. We call this effect error whitening. Once the parameterization is removed, the prediction-target mismatch evolves according to dynamics dictated by the structure of the loss and the projection produced by the optimizer. Error whitening is a special property of Gauss-Newton descent that rigorously distinguishes it from Newton's method. We empirically demonstrate that Gauss-Newton optimizers follow the theoretically predicted function space dynamics and outperforms Newton's method, Adam, and Muon across case studies spanning supervised learning, physics-informed deep learning, and approximate dynamic programming.
Authors: Yinan Li, Tuan Nguyen, Kwang-Sung Jun
Abstract: We study the fixed-budget max-min action identification problem in depth-2 max-min trees, an important special case of Monte Carlo Tree Search. A learner sequentially allocates $T$ samples to leaves and then recommends a subtree whose minimum leaf value is largest. Motivated by approximate planning, we focus on $\varepsilon$-good subtree identification, where any subtree whose min value is within $\varepsilon$ of the optimal maximin value is acceptable. Our main contribution is an $\varepsilon$-agnostic algorithm: it does not require $\varepsilon$ as input, but achieves instance-dependent error bounds for every meaningful $\varepsilon$. We show that the misidentification probability decays as $\exp(-\widetilde{\Theta}(T/H_2(\varepsilon)))$, where $H_2(\varepsilon)$ captures both cross-subtree and within-subtree gaps. When each subtree has a single leaf, the problem reduces to standard fixed-budget best-arm identification, and our analysis recovers, up to accelerating factors, known $\varepsilon$-good guarantees for halving-style methods while giving a new $\varepsilon$-good guarantee for Successive Rejects. On the lower-bound side, we provide complementary positive and negative results showing that max-min identification has a different hardness structure from standard $K$-armed bandits. To our knowledge, this is the first provable fixed-budget algorithmic guarantee for max-min action identification.
Authors: Daniel Xu, Yuxin Xie, Minghao Guo, Haixu Wu, Wojciech Matusik
Abstract: Classical deep learning typically operates on individual cases. Despite its success, real-world usage often requires repeated inference to estimate statistical quantities for complex decision-making tasks involving uncertainty or extreme-value analysis, resulting in substantial latency. We introduce neural statistical functions, a new family of models learned from pre-trained single-sample predictors and scattered data samples, which can directly infer statistics over continuous operating condition ranges without explicit sampling. By introducing the notion of prefix statistics, we transform and unify diverse statistical functions (e.g., integrals, quantiles, and maxima) into an interval-conditional framework, in which a principled identity between the prefix statistics and the individual-case regression serves as the learning objective. Neural statistical functions achieve strong performance in estimating essential statistics of complex physical processes, including accumulated energy in dynamical systems, quantiles of aerodynamic responses, and maximum stress in crash processes, while achieving up to a 100$\times$ reduction in model evaluations.
Authors: Kainat Riaz, Muhammad Ahmed Mohsin, Ahsan Bilal, Muhammad Umer, Ayesha Mohsin, Aqib Riaz, Ali Subhan, John M. Cioffi
Abstract: Automated scientific discovery using large language models relies on identifying genuinely novel solutions. Standard reinforcement learning penalizes high-variance mutations, which leads the policy to prioritize familiar patterns. As a result, the maximum reward plateaus even as the average reward increases. Overcoming this limitation requires a signal that distinguishes unexplored regions from intrinsically difficult problems. This necessitates measuring disagreement across independently adapted weight hypotheses rather than relying on a single network's confidence. UG-TTT addresses this challenge by maintaining a small ensemble of low-rank adapters over a frozen base model. The per-token disagreement, quantified as the mutual information between ensemble predictions and weight hypotheses, isolates epistemic uncertainty and identifies positions where insufficient coverage leads to adapter divergence rather than intrinsic problem difficulty. This measure is incorporated as an exploration bonus into the policy gradient, directing the policy toward positions where persistent adapter disagreement signals low training coverage, the same frontier where genuine discovery is possible. A nuclear norm regularizer ensures the adapters remain distinct from one another, thereby preserving the exploration signal throughout training. Across four scientific discovery benchmarks, UG-TTT increases the maximum reward on three tasks, maintains substantially higher solution diversity, and an ablation study confirms that the regularizer is essential for sustaining this behavior.
Authors: Jasmine Qi, Danylo Dantsev, Muyang Sun
Abstract: LLM-as-Judge systems are widely deployed for automated evaluation, yet practitioners lack reliable methods to know when a judge's verdict should be trusted. Token log-probabilities, the standard post-hoc confidence signal, are unavailable for many commercial LLMs and, even when accessible, saturate above 0.999 with structured JSON output. We introduce VERDI (VERification-Decomposed Inference), a method that extracts confidence from the reasoning trace a structured judge already produces, with no additional inference calls. VERDI decomposes each verification-style evaluation into sub-checks and derives three structural signals: Step-Verdict Alignment, Claim-Level Margin, and Evidence Grounding Score. We combine them with Platt-scaled logistic regression. On three public benchmarks, VERDI achieves AUROC 0.72-0.91 on GPT-4.1-mini and 0.66-0.80 on GPT-5.4-mini. On Qwen3.5-4B/9B/27B, where answer-token logprobs are anti-calibrated (higher confidence on errors, AUROC 0.32-0.49), VERDI achieves 0.56-0.70. We additionally validate on a production system with eight rubrics (AUROC 0.73-0.88 on factual rubrics), demonstrate cross-model transfer (AUROC 0.66-0.69), and show that a 33M-parameter NLI (Natural Language Inference) model provides a scalable alternative to regex extraction.
Authors: Archie J. Huang, Dongdong Wang, Shaurya Agarwal, Mohamed Abdel-Aty, Md Mahmudul Islam, Muhammad Shahbaz
Abstract: Physics-informed deep learning (PIDL) neural networks have shown their capability as a useful instrument for transportation practitioners in utilizing the underlying relationship between the state variables for traffic state estimation (TSE). Another efficient traffic management approach is implementing varying speed limits (VSLs) on transportation corridors to control traffic and mitigate congestion. However, the existing training architecture of PIDL in the literature cannot accommodate the changing traffic characteristics on a freeway with VSL. To tackle this challenge, we propose a novel framework integrating teacher-student ensemble training with PIDL neural networks for TSE under VSL scenarios. The physics of flow conservation law is encoded locally in the teacher models by PIDL, and the student model uses a multi-layer perceptron classifier (MLP) to identify traffic characteristics and selects the ensemble member of PIDL neural networks for TSE. This integrated framework provides a natural solution for capturing the heterogeneity of VSL and accurately addressing the TSE problem. The case study results validate the proposed ensemble approach, demonstrating its superior performance in TSE compared to other popular baseline methods, as indicated by relative L2 error.
Authors: Jeongsol Kim, Hongeun Kim, Jian Wang, Jong Chul Ye
Abstract: Existing reward alignment methods for diffusion and flow models rely on multi-step stochastic trajectories, making them difficult to extend to deterministic generators. A natural alternative is noise-space optimization, but existing approaches require backpropagation through the generator and reward pipeline, limiting applicability to differentiable settings. To address this, here we present ZeNO (Zeroth-order Noise Optimization), a gradient-free framework that formulates noise optimization as a path-integral control problem, estimable from zeroth-order reward evaluations alone. When instantiated with an Ornstein--Uhlenbeck reference process, the update connects to Langevin dynamics implicitly targeting a reward-tilted distribution. ZeNO enables effective inference-time scaling and demonstrates strong performance across diverse generators and reward functions, including a protein structure generation task where backpropagation is infeasible.
Authors: Reza Barati, Qinmin Vivian Hu
Abstract: Inventory-policy comparisons are often difficult to interpret because performance depends on the evaluation contract as much as on the policy itself. Differences in topology, demand regime, information access, feasibility constraints, shortage treatment, and Key Performance Indicator (KPI) definitions can change method rankings. We present gym-invmgmt, a Gymnasium-compatible extension of the OR-Gym inventory-management lineage for auditable cross-paradigm evaluation. The benchmark evaluates optimization, heuristic, and learned controllers under a shared CoreEnv transition, reward, action-bound, and KPI contract, while varying stress conditions through a 22-scenario core grid plus four supplemental MARL-mode rows. Within these released scenarios, informed stochastic programming provides the strongest non-oracle reference, reflecting the value of scenario hedging under forecast access, but at substantially higher online computational cost. Among learned controllers, the Proximal Policy Optimization Transformer variant (PPO-Transformer) achieves the strongest learned-policy quality at fast inference, while Residual Reinforcement Learning (Residual RL) provides competitive hybrid performance. The graph neural network variant (PPO-GNN) is highly competitive on the default divergent topology but less robust on the serial topology. Imitation learning performs well in stationary regimes but degrades under demand shift, and the bounded Large Language Model (LLM) policy-parameter baseline is best interpreted as a diagnostic controller rather than an autonomous inventory optimizer. Overall, the benchmark identifies scenario-conditioned leaders while showing that performance depends jointly on information access, demand shift, topology, and policy representation.
Authors: Ankur Moitra, Andrej Risteski, Dhruv Rohatgi
Abstract: Inference-time reward alignment asks how to turn a pre-trained diffusion model with base law $p$ into a sampler that favors a reward $r$ while remaining close to $p$. Since there is no canonical distributional distance for this closeness constraint, different choices lead to different "reward-aligned" laws and, just as importantly, different algorithmic problems. We develop a primitive-based approach to reward alignment: rather than assuming arbitrary reward-aligned laws can be sampled, we ask which simple algorithmic primitives suffice to implement alignment for non-trivial reward classes. If closeness is measured in KL distance, the target law is $q(x) \propto p(x) \exp(\lambda^{-1}r(x))$. For this setting, we show that linear exponential tilts of the form $q(x)\propto p(x)\exp(\langle \theta, x \rangle)$ -- which according to recent work [MRR26] can be efficiently sampled from -- are a sufficient primitive for aligning to a very broad class of convex low-dimensional rewards. If closeness is measured in Wasserstein distance, the corresponding primitive is a proximal transport oracle: given $x$, solve $\mbox{argmax}_y \{r(y)- \lambda c(x,y)\}$. This oracle can be efficiently implemented for concave or low-dimensional Lipschitz rewards $r(x)=f(Ax)$. Together, these results illustrate that the choice of distribution distance for alignment affects the computational primitive and the tractable reward class.
Authors: Drago Plecko
Abstract: In the data-driven era, large-scale datasets are routinely collected and analyzed using machine learning (ML) and artificial intelligence (AI) to inform decisions in high-stakes domains such as healthcare, employment, and criminal justice, raising concerns about the fairness behavior of these systems. Existing works in fair ML cover tasks such as bias detection, fair prediction, and fair decision-making, but largely focus on static settings. At the same time, fairness in temporal contexts, particularly survival/time-to-event (TTE) analysis, remains relatively underexplored, with current approaches to fair survival analysis adopting statistical fairness definitions, which, even with unlimited data, cannot disentangle the causal mechanisms that generate disparities. To address this gap, we develop a causal framework for fairness in TTE analysis, enabling the decomposition of disparities in survival into contributions from direct, indirect, and spurious pathways. This provides a human-understandable explanation of why disparities arise and how they evolve over time. Our non-parametric approach proceeds in four steps: (1) formalizing the necessary assumptions about censoring and lack of confounding using a graphical model; (2) recovering the conditional survival function given covariates; (3) applying the Causal Reduction Theorem to reframe the problem in a form amenable to causal pathway decomposition; (4) estimating the effects efficiently. Finally, our approach is used to analyze the temporal evolution of racial disparities in outcome after admission to an intensive care unit (ICU).
Authors: Jeongchan Kim, Yunkyung Ko, Jong Chul Ye
Abstract: We study the application of recent Edit Flows for inference-time reward control for DNA sequence generation. Unlike most reward-guided DNA generation frameworks, which operate on fixed-length sequence spaces, Edit Flows have a potential to generate variable-length DNA through biologically plausible insertion, deletion, and substitution operations. In particular, we propose Local Perturbation Discrete Programming (LPDP), a training-free, intermediate-state and action-aware local re-solving operator for variable-length DNA edit-action generators at inference time. More specifically, at each guided rollout step, LPDP scores one-step root edits, retains a near-best root band, and re-ranks each retained root by solving a bounded local discrete program around its child sequence. This local program uses the typed geometry of edit actions to focus on coherent substitution, insertion, or deletion subgraphs, and aggregates local continuations with either a hard Max backup or a soft log-sum-exponential (LSE) backup. We instantiate LPDP in two regimes: front-loaded reward tilting for enhancer optimization, where early edits are critical for establishing global regulatory sequence structure, and back-loaded reward tilting for exon-intron-exon inpainting, where late edits fine-tune splice-boundary contexts.
Authors: Han Xiao
Abstract: Test-time compute is widely believed to benefit only large reasoning models. We show it also helps small embedding models. Since modern embedding models are distilled from LLM backbones, a frozen encoder should benefit from extra inference compute without retraining. Using an agentic program-search loop, we explore 259 candidate inference programs over a frozen embedding API across ninety generations. The entire Pareto frontier collapses onto a single algebra: a softmax-weighted centroid of the local top-K documents interpolated with the query. This default, which introduces no trainable parameters, lifts nDCG@10 statistically significantly across seven embedding-model families spanning a tenfold parameter range, with held-out full-BEIR validation confirming the lift on every model tested.
Authors: Fan Ma, Qier An, Peng Chen, Lingfei Qian, Xiang Lan, Mingyang Jiang, Zhiling Gu, Xenophon Papademetris, Hua Xu
Abstract: Learning transferable representations for electroencephalography (EEG) remains challenging because EEG signals are inherently multi-channel and non-stationary. Channels observed at the same time provide coupled measurements of neural activity, while the relevant temporal dynamics vary across contexts. This structure is poorly matched by architectures that apply uniform computation across time or route each channel patch independently. To this end, we propose TRACE, an autoregressive EEG pre-training framework that predicts future EEG patches from causal context while performing temporally adaptive and cross-channel coherent computation. At each temporal step, TRACE derives an expert routing decision from the causal cross-channel history and applies it jointly to all channels at that step. This preserves instantaneous cross-channel coherence while allowing different temporal regimes to activate different computation. Since routing is defined over the available channel set and causal temporal context, TRACE is compatible with heterogeneous pre-training across corpora with different channel counts, montages, sequence lengths, and recording domains. Across eight downstream EEG benchmarks, TRACE is evaluated in both settings: when downstream domains are seen only as unlabeled pre-training data and when downstream datasets are completely unseen during pre-training. It obtains the best results on several benchmarks while remaining competitive on motor imagery and clinical event classification tasks, with ablations supporting the importance of cross-channel temporal routing.
Authors: Alberta Longhini, David Emukpere, Jean-Michel Renders, Seungsu Kim
Abstract: We address the problem of fine-tuning pre-trained generative policies with reinforcement learning (RL) while preserving the multimodality of their action distributions. Existing methods for RL fine-tuning of generative policies (e.g., diffusion policies) improve task performance but often collapse diverse behaviors into a single reward-maximizing mode. To mitigate this issue, we propose an unsupervised mode discovery framework that uncovers latent behavioral modes within generative policies. The discovered modes enable the use of mutual information as an intrinsic reward, regularizing RL fine-tuning to enhance task success while maintaining behavioral diversity. Experiments on robotic manipulation tasks demonstrate that our method consistently outperforms conventional fine-tuning approaches, achieving higher success rates and preserving richer multimodal action distributions.
Authors: Yupeng Su, Ruijie Zhang, Ziyue Liu, Yequan Zhao, Zheng Zhang
Abstract: The Muon optimizer has emerged as a compelling alternative to Adam for training large language models, achieving remarkable computational savings through gradient orthogonalization. However, Muon's optimizer state is more sensitive to quantization errors: because the orthogonalization discards the magnitudes of singular values and retains only directional information, even small quantization errors in singular vector directions are amplified in the update. In this work, we propose MuonQ, a low-bit Muon training framework built on the principle of directional fidelity optimization. First, we apply a pre-quantization normalization so that each step introduces quantization errors of the same magnitude, preventing the accumulated error from developing a preferred direction. Second, we introduce a structural decomposition that separately quantizes the dominant singular components via power iteration, ensuring that quantization errors perturb only singular value magnitudes rather than rotating singular vector directions. Third, we adopt $\mu$-law companding quantization to allocate higher resolution to densely packed momentum values, shifting the quantization objective from outlier preservation to dense-region distinguishability. Together, these techniques enable stable 4-bit quantization of Muon's optimizer states. Pre-training experiments on GPT-style and LLaMA-style models demonstrate that MuonQ at 4-bit precision closely matches full-precision Muon in both training loss and downstream task accuracy, while reducing optimizer state memory by up to 7.3 $\times$. Our code is available at https://github.com/YupengSu/MuonQ.
Authors: Youquan Xian, Xueying Zeng, Lingjia Meng, Lei Cui, Runhan Song, Wei Wang, Zhengquan Ding, Peng Liu, Zhiyu Hao
Abstract: Deep learning-based website fingerprinting has emerged as an effective technique for inferring the websites users visit. Although existing methods achieve strong performance on closed-world datasets, they often fail to generalize to real-world environments, especially under geographic and temporal shifts. This limitation fundamentally stems from the coupled effects of two key challenges: application-layer resource composition variability and observable feature instability induced by cross-layer encapsulation. Intertwined, these factors induce systematic shifts between underlying application semantics and observable traffic features. To address the above challenges, we propose SATA , a semantics-aware traffic augmentation framework. Specifically, SATA first performs application-layer semantic augmentation based on protocol rules, expanding the resource composition patterns within each flow and frame sequence patterns under protocol constraints. Based on these augmented frame sequences, we further introduce a cross-layer feature alignment mechanism via knowledge distillation. It aligns frame sequence with packet-length sequence features, enabling cross-layer feature alignment between enhanced semantics and observable sequences. Extensive experiments show that SATA successfully generates traffic patterns that are absent from the training set but genuinely exist in the test set, and significantly improves the performance of mainstream models across diverse and complex scenarios. In particular, in open-world settings, SATA improves ACC by 90.81% and AUROC by 48.37%. The source code of the prototype system is available at https://anonymous.4open.science/r/SATA-B6C2/.
Authors: Mingxiong Lin, Zhangquan Gong, Maowen Tang, Qian Li, Chuangchuang Wang, Jian Ma, Sutian Huang, Kai Tang, Haonan Lu
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become the standard paradigm for LLM mathematical reasoning, with Group Relative Policy Optimization (GRPO) serving as the dominant algorithm. We identify two overlooked inefficiencies inherent in GRPO. First, a fixed KL coefficient overly restricts policy exploration at moments when the model needs to diverge significantly from the reference policy. Second, uniform question sampling overlooks that moderately difficult problems produce the most informative gradient signals. We propose FG-ExPO, short for Frontier-Guided Exploration-Prioritized Policy Optimization, which integrates two lightweight components. Accuracy-Conditioned KL Scaling (AKL) adjusts the KL penalty strength through a smooth nonlinear function of batch average accuracy, loosening the constraint when the model performs poorly and strengthening it when the model achieves satisfactory results. Gaussian Curriculum Sampling (GCS) assigns sampling weights to questions following a Gaussian distribution centered at a moderate accuracy level around 0.5, focusing model training on its learning frontier. We conduct evaluations on DeepSeek-R1-Distill-Qwen-1.5B and Qwen3-8B-Base across six mainstream mathematical reasoning benchmarks. Experimental results demonstrate that FG-ExPO consistently outperforms vanilla GRPO. It delivers an absolute improvement of 13.34 on the AIME 2025 pass@32 metric, rising from 63.33 percent to 76.67 percent, and obtains an average pass@32 gain of 2.66 on the 8B model. The substantially larger performance gains observed on pass@32 compared to pass@1 verify that FG-ExPO enlarges the model's effective exploration space under a fixed inference budget.
Authors: DatologyAI, :, Siddharth Joshi, Haoli Yin, Rishabh Adiga, Haakon Mongstad, Alvin Deng, Aldo Carranza, Alex Fang, Amro Abbas, Anshuman Suri, Brett Larsen, Daniel Zayas, Darren Teh, David Schwab, Diego Kiner, Fan Pan, Jack Urbanek, Jason Lee, Jason Telanoff, Josh Wills, Kaleigh Mentzer, Luke Merrick, Maximilian B\"other, Parth Doshi, Paul Burstein, Pratyush Maini, Ties Robroek, Tony Jiang, Vidhi Jain, Vineeth Dorna, Zhengping Wang, Bogdan Gaza, Ari Morcos, Matthew Leavitt
Abstract: Data curation has shifted the quality-compute frontier for language-model and contrastive image-text pretraining, but its role for vision-language models (VLMs) is far less established. We ask how far data curation alone can take VLM performance, holding architecture, training recipe, and compute fixed and varying only the training data. Our pipeline, applied to the MAmmoTH-VL single-image subset, lifts performance by +11.7pp on average across 20 public VLM benchmarks (spanning grounding, VQA, OCR/documents, captioning, spatial/3D, counting, charts, math, brand-ID, and multi-image reasoning) and by +11.3pp on average across all nine capability axes of DatBench, our high-fidelity VLM eval suite. At 2B, our curated model surpasses InternVL3.5-2B by 9.9pp at ~17x less training compute and closes the gap to Qwen3-VL-2B to within 1.8pp at ~87x less compute, from pretraining alone. Beyond accuracy, curation delivers four further properties: (1) Reliability: per-capability std across training seeds drops by ~67% and the lift survives a 4k-to-16k context-length sweep; (2) OOD generalization: the 9-eval OOD average rises by +7.2pp, and multi-image BLINK rises by +3.09pp despite single-image-only training, with Visual Correspondence gaining +11.8pp; (3) Behavioral gains beyond benchmarks: across ~1,100 open-ended queries the curated 2B is more honest and more specific than the matched-compute baseline, and more concise and less refusal-prone than a frontier 2B reference; (4) Pareto-dominance on inference cost: at every scale (1B, 2B, 4B) the curated model raises accuracy while lowering response FLOPs vs. the matched-compute baseline, and the curated 4B matches near-frontier accuracy at 3.3x lower response FLOPs than Qwen3-VL-4B. Data curation is a high-leverage tool for building better VLMs, reaching near-frontier accuracy at up to ~150x less training compute.
Authors: Zeqiang Xian, Caihui Liu, Yong Zhang, Wenjing Qiu, Duoqian Miao, Witold Pedrycz
Abstract: Existing granular-ball classification methods are often driven by handcrafted quality measures, neighborhood rules, or heuristic splitting and stopping criteria, which may reduce the transparency of local construction decisions and hinder explicit modeling of boundary-sensitive regions. To address this issue, this paper proposes a Minimum Description Length based Granular-Ball Classifier (MDL-GBC), a boundary-aware non-parametric and interpretable granular-ball classifier. MDL-GBC formulates class-conditional granular-ball construction as a local model selection problem under the Minimum Description Length principle. For each class, samples from the target class provide positive class evidence, while samples from the remaining classes provide negative boundary evidence. For each current granular ball, three candidate explanations are compared under a unified description-length criterion: a single-ball model, a two-ball model, and a core-boundary model. The selected model determines whether the ball is retained, geometrically split, or refined into core and boundary-sensitive child balls, thereby making local construction decisions consistent with the MDL-based classification mechanism. During prediction, a class-level mixture coding rule aggregates stable granular balls of the same class and assigns the test sample by comparing class-wise coding costs. Experiments on 18 benchmark datasets show that MDL-GBC achieves competitive classification performance against classical classifiers and representative granular-ball-based methods, obtaining the best average Accuracy, Macro-F1, and average rank. These results indicate that MDL-GBC provides an effective and interpretable alternative to conventional heuristic granular-ball classification strategies.
Authors: Bo Zheng, Yudong Chen, Zihua Xiong, Shuai Fang, Peidong He, Yang Yang, Sheng Guo
Abstract: Tabular data forms the backbone of high-stakes decision systems in finance, healthcare, and beyond. Yet industrial tabular datasets are inherently difficult: high-dimensional, riddled with missing entries, and rarely labeled at scale. While foundation models have revolutionized vision and language, tabular learning still leans on handcrafted features and lacks a general self-supervised framework. We present MaskTab, a unified pre-training framework designed specifically for industrial-scale tabular data. MaskTab encodes missing values via dedicated learnable tokens, enabling the model to distinguish structural absence from random dropout. It jointly optimizes a hybrid supervised pre-training scheme--utilizing a twin-path architecture to reconcile masked reconstruction with task-specific supervision--and an MoE-augmented loss that adaptively routes features through specialized subnetworks. On industrial-scale benchmarks, it achieves +5.04% AUC and +8.28% KS over prior art under rigorous scaling. Moreover, its representations distill effectively into lightweight models, yielding +2.55% AUC and +4.85% KS under strict latency and interpretability constraints, while improving robustness to distribution shifts. Our work demonstrates that tabular data admits a foundation-model treatment--when its structural idiosyncrasies are respected.
Authors: Nilushika Udayangani, Kishor Nandakishor, Marimuthu Palaniswami
Abstract: While traditional time-series classifiers assume full sequences at inference, practical constraints (latency and cost) often limit inputs to partial prefixes. The absence of class-discriminative patterns in partial data can significantly hinder a classifier's ability to generalize. This work uses knowledge distillation (KD) to equip partial time series classifiers with the generalization ability of their full-sequence counterparts. In KD, high-capacity teacher transfers supervision to aid student learning on the target task. Matching with teacher features has shown promise in closing the generalization gap due to limited parameter capacity. However, when the generalization gap arises from training-data differences (full versus partial), the teacher's full-context features can be an overwhelming target signal for the student's short-context features. To provide progressive, diverse, and collective teacher supervision, we propose Generative Diffusion Prior Distillation (GDPD), a novel KD framework that treats short-context student features as degraded observations of the target full-context features. Inspired by the iterative restoration capability of diffusion models, we learn a diffusion-based generative prior over teacher features. Leveraging this prior, we posterior-sample target teacher representations that could best explain the missing long-range information in the student features and optimize the student features to be minimally degraded relative to these targets. GDPD provides each student feature with a distribution of task-relevant long-context knowledge, which benefits learning on the partial classification task. Extensive experiments across earliness settings, datasets, and architectures demonstrate GDPD's effectiveness for full-to-partial distillation.
Authors: Hongmin Li
Abstract: Exploratory analysis of high-dimensional data rarely stops at a single embedding. In practice, analysts rerun dimensionality reduction after changing preprocessing, subsets, or hyperparameters, and standard nonlinear methods can quickly become the bottleneck. We introduce FastUMAP (Bipartite Manifold Approximation and Projection), a landmark-based method designed for this repeated-use setting. FastUMAP builds a sparse point-landmark fuzzy graph, computes a Nystrom spectral warm start from the induced landmark affinity, and then refines all sample coordinates with a UMAP-style objective on the bipartite graph. The landmark ratio r = m/n provides a direct way to trade runtime against fidelity. On 9 benchmark datasets spanning 178 to 70,000 samples, FastUMAP has the lowest runtime on 7 datasets in our reported default-implementation comparison on one workstation. On MNIST and Fashion-MNIST (n=70000), it runs in about 4.6 seconds, compared with about 73--75 seconds for Barnes--Hut t-SNE, while reaching 91.4% mean kNN accuracy versus 94.6% for the strongest accuracy baseline. FastUMAP is therefore best viewed as a fast option for repeated exploratory embedding, rather than as a replacement for accuracy-first methods.
Authors: Su Hyeong Lee, Risi Kondor
Abstract: Neural representations are not unique objects. Even when two systems realize the same downstream computation, their hidden coordinates may differ by reparameterization. A probe family intended to reveal structure already present in a representation should therefore be stable under the relevant representation symmetries rather than be tied to a particular basis. We study this group action in the tractable exact setting of the final readout layer, where equivalent realizations induce affine changes of hidden coordinates. The resulting symmetry principle singles out a unique hierarchy of shallow coordinate-stable probes, with linear probes as its degree-1 member. We also show that a natural object for cross-model probe transfer is a shared probe-visible quotient--the representation modulo directions invisible to the probe family--rather than the full hidden state. Experiments on synthetic and real-world tasks support both predictions, showing where degree-2 probes help beyond linear ones and how quotient-based transfer enables coverage-aware monitor portability across model families. These results point toward a broader geometric representation theory of neural probing, with coverage-aware monitor transfer as a concrete operational consequence.
Authors: Mehmet Ali Ferah, Tufan Kumbasar
Abstract: System identification (SysID) is critical for modeling dynamical systems from experimental data, yet traditional approaches often fail to capture nonlinear behaviors. While deep learning offers powerful tools for modeling such dynamics, incorporating uncertainty quantification is essential to ensure reliable predictions. This paper presents a systematic framework for constructing and training interval Neural Networks (INNs) for uncertainty-aware SysID. By extending crisp neural networks into interval counterparts, we develop Interval LSTM and NODE models that propagate uncertainty through interval arithmetic without probabilistic assumptions. This design allows them to represent uncertainty and produce prediction intervals. For training, we propose two strategies: Cascade INN (C-INN), a two-stage approach converting a trained crisp NN into an INN, and Joint INN (J-INN), a one-stage framework jointly optimizing prediction accuracy and interval precision. Both strategies employ uncertainty-aware loss functions and parameterization tricks to ensure reliable learning. Comprehensive experiments on multiple SysID datasets demonstrate the effectiveness of both approaches and benchmark their performance against well-established uncertainty-aware baselines: C-INN achieves superior point prediction accuracy, whereas J-INN yields more accurate and better-calibrated prediction intervals. Furthermore, to reveal how uncertainty is represented across model parameters, the concept of channel-wise elasticity is introduced, which is used to identify distinct patterns across the two training strategies. The results of this study demonstrate that the proposed framework effectively integrates deep learning with uncertainty-aware modeling.
Authors: Swapnil Parekh
Abstract: Reasoning models post-hoc rationalize answers they have already committed to internally, producing chains of *reasoning theater*: deliberative-looking steps that contribute nothing to correctness. This wastes inference tokens, pollutes interpretability, and obscures what the model actually computed. We introduce **ProFIL** (**Pro**be-**Fil**tered Reinforcement Learning) to *reduce theater, increase chain-of-thought faithfulness, and shrink chain length* in a single, drop-in extension to Group Relative Policy Optimization (GRPO). A multi-head attention probe is trained *once* on the *frozen* base model to detect post-commitment steps from internal activations alone; during GRPO, rollouts whose probe score exceeds a threshold have their advantage zeroed. *Our central finding is that a probe trained on a frozen base, with verifier-derived labels and no human annotation, provides a stable signal that suppresses theater while resisting the RL-obfuscation failure mode predicted by prior work.* Across four reasoning domains (GSM8K, LiveCodeBench, ToolUse, MMLU-Redux) and two model architectures (Llama-8B, Qwen-7B), ProFIL reduces post-commitment theater by **11--100%**, raises faithful-fraction (e.g., +24pp on LiveCodeBench under an independent Claude 3.7 Sonnet judge), and shortens chains by 4--19%, all while preserving or improving task accuracy. ProFIL also beats a matched length-penalty GRPO baseline, isolating the gain as semantic commitment-detection rather than chain compression. Probe weights, training configurations, and rollouts are released across all four domains.
Authors: Riad Ahmed
Abstract: Decentralized multi-agent path finding (MAPF) routes a team of agents on a shared grid, each acting from its own local view. The standard solution trains one shared neural policy with Proximal Policy Optimization (PPO), a popular on-policy reinforcement learning algorithm. Such a policy works well on clean observations, but a small input perturbation on one agent often changes its action, which then blocks a neighbour, and the team jams. In this paper we present two training recipes that keep the same network and the same deployment loop, yet make the policy hold up under perturbed observations. The first recipe, Adv-PPO, trains the shared policy against worst-case perturbations of its own input and selects the checkpoint by performance under adversarial perturbation. The second recipe, Adv-PPO+MACER, fine-tunes that checkpoint with a small on-policy smoothness term whose gradient follows the certified radius of randomized smoothing. On POGEMA with 8x8 maps and four agents, the unprotected PPO policy reaches 95.8% clean success but only 2.5% under the strongest attack. Adv-PPO recovers worst-case success to 59.2% at one percentage point of clean cost. Adv-PPO+MACER recovers it to 77.5% +/- 6.0% across three independent seeds at less than one percentage point of clean cost. We support these numbers with per-attack curves, a certified action-stability sanity check (which measures the smoothed-policy wrapper, not the deployed argmax policy), and side-by-side rollout storyboards that show the failure mode and the fix inside one environment instance.
Authors: Chao Li, Zerui Tao, Yuchen Cong, Jian Xu, Qibin Zhao
Abstract: Matrix product operator Born machines (MPO-BMs) are tractable tensor-network models for probabilistic modeling, but their efficient approximation capability remains unclear. We characterize this boundary from both negative and positive perspectives. First, we prove that KL approximation is NP-hard for MPO-BMs in the continuous setting, ruling out universal efficient approximation in the worst case. Second, for score-based variational inference, we show that, under a locality and spectral-gap conditions on the loss-induced Hamiltonian, structured targets (e.g., path-graph Markov random fields) admit MPO-BM approximations with polynomial bond dimension and provable KL guarantees. Third, under the same locality structure, we prove that polynomially many score queries suffice to estimate the induced Hamiltonian and obtain such guarantees. Our results provide a theoretical characterization of when MPO-BMs are fundamentally hard to approximate and when they become efficiently learnable.
Authors: Jeongwoo Shin, Dongsoo Shin, Joonseok Lee, Jaewoong Choi, Jaemoo Choi
Abstract: Reward fine-tuning has become a common approach for aligning pretrained diffusion and flow models with human preferences in text-to-image generation. Among reward-gradient-based methods, Adjoint Matching (AM) provides a principled formulation by casting reward fine-tuning as a stochastic optimal control (SOC) problem. However, AM inevitably requires a substantial computational cost: it requires (i) stochastic simulation of full generative trajectories under memoryless dynamics, resulting in a large number of function evaluations, and (ii) backward ODE simulation of the adjoint state along each sampled trajectory. In this work, we observe that both bottlenecks are closely tied to the \textit{non-trivial base drift} inherited from the pretrained model. Motivated by this observation, we propose \textbf{Efficient Adjoint Matching (EAM)}, which substantially improves training efficiency by reformulating the SOC problem with a \textit{linear base drift} and a correspondingly modified \textit{terminal cost}. This reformulation removes both sources of inefficiency; it enables training-time sampling with a few-step deterministic ODE solver and yields a closed-form adjoint solution that eliminates backward adjoint simulation. On standard text-to-image reward fine-tuning benchmarks, EAM converges up to 4x faster than AM and matches or surpasses it across various metrics including PickScore, ImageReward, HPSv2.1, CLIPScore and Aesthetics.
Authors: Junyan Liu, Haipeng Luo, Lillian J. Ratliff
Abstract: Making calibrated online predictions is a central challenge in modern AI systems. Much of the existing literature focuses on fully adversarial environments where outcomes may be arbitrary, leading to conservative algorithms that can perform suboptimally in more benign settings, such as when outcomes are nearly stationary. This gap raises a natural question: can we design online prediction algorithms whose calibration error automatically adapts to the degree of non-stationarity in the environment, smoothly interpolating between i.i.d. and adversarial regimes? We answer this question in the affirmative and develop a suite of algorithms that achieve adaptive calibration guarantees under multiple calibration measures. Specifically, with $T$ being the number of rounds and $C\in[0,T]$ being an unknown non-stationary measure defined as the minimal $\ell_1$ deviation of the mean outcomes, our algorithms attain $\widetilde{O}(\sqrt{T}+(TC)^{\frac{1}{3}})$ for $\ell_1$ calibration error and $\widetilde{O}((1+C)^{\frac{1}{3}})$ for both $\ell_2$ and pseudo KL calibration error. These bounds match the optimal rates in the stationary case ($C=0$) and recover known guarantees in the fully adversarial regime ($C=T$). Our approach builds on and extends prior work [Hu et al., 2026, Luo et al., 2025], introducing an epoch-based scheduling together with a novel non-uniform partition of the prediction space that allocates finer resolution near the underlying ground truth.
Authors: Huimin Xu, Shuai Zhao, Xiaobao Wu, Anh Tuan Luu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become an effective paradigm for improving the reasoning ability of large language models. However, widely used RLVR algorithms, such as GRPO, often suffer from entropy collapse, leading to premature determinism and unstable optimization. Existing remedies, including entropy regularization and ratio-based clipping heuristics, either control entropy in a coarse-grained manner or rely on approximate on-policy training. In this paper, we revisit entropy collapse from a token-level entropy flow perspective. Our analysis reveals that entropy-decreasing tokens consistently outweigh entropy-increasing ones, resulting in a severely imbalanced entropy flow. This perspective provides a unified explanation of entropy collapse in existing RLVR algorithms and highlights the importance of balancing entropy dynamics. Motivated by this analysis, we propose On-Policy Entropy Flow Optimization (OPEFO), an adaptive entropy flow balancing mechanism that rescales entropy-increasing and entropy-decreasing updates according to their contributions to entropy change, while remaining strict on-policy. Experiments on six mathematical reasoning benchmarks demonstrate that OPEFO improves training stability and final performance. We will release the code and models upon publication.
Authors: Dongjun Lee, Ga-eun Bae, Insu Yun
Abstract: Recent advances in Large Language Models (LLMs) have enabled agentic systems for complex, multi-step tasks; cybersecurity is emerging as a prominent application. To evaluate such agents, researchers widely adopt Capture The Flag (CTF) benchmarks. However, current CTF benchmarks reuse existing challenges, which exposes them to data contamination and potential cheating. Notably, we confirmed these issues in practice by integrating web search tools into an existing agent. To address these limitations, we present CTFusion, a streaming evaluation framework built on Live CTFs. To achieve this, CTFusion preserves per-agent independence under a single team account and reduces competition impact by forwarding only the first correct flag per challenge. Moreover, we implement CTFusion as a Model Context Protocol (MCP) server on the widely used CTFd platform, which offers broad applicability to diverse CTF events and agent types. Through experiments with three LLMs, two agents, and five Live CTFs, we demonstrate that existing CTF benchmarks can be unreliable in assessing LLM-based agents, while CTFusion can serve as a robust solution for evaluating cybersecurity agents. We release CTFusion as open source to foster future research in this area.
Authors: Gnankan Landry Regis N'guessan, Bum Jun Kim
Abstract: Data-driven identification of partial differential equations (PDEs) relies on sparse regression over a candidate library of differential operators, where larger libraries inflate false positives under observation noise and smaller libraries risk missing true terms. We introduce Equivariant Operator Discovery (EqOD), a fully automatic method combining two library reduction mechanisms. When Galilean invariance is detected from trajectory data via a weak-form structural test, EqOD uses the symmetry-reduced library, eliminating terms that our Galilean exclusion result proves to be absent from the governing equation. Otherwise, it applies randomized LASSO stability selection guided by classical false-positive bounds. A residual-based fallback prevents degradation below the full-library baseline. On 8 PDEs at 4 noise levels, EqOD attains $F_1 = 1.000 \pm 0.000$ on Heat at $20\%$ noise, where WF-LASSO obtains $0.475 \pm 0.181$, official PySINDy 2.0 obtains $0.000$, and the WSINDy reimplementation obtains $0.789$. Under the strict criterion that the mean F1 difference exceeds the larger of the two standard deviations, EqOD wins 7 of 32 cells. WF-LASSO wins none, and the remaining 25 cells are ties. Across all 32 cells, EqOD outperforms PySINDy 2.0.0 in 23 of 32 cells, and all 5 PySINDy wins occur on reaction PDEs. External validation on WeakIdent and PINN-SR datasets gives $F_1 = 1.000$ on all 5 clean benchmarks. NLS, 2D, coupled-system, and cylinder-wake extensions are reported. The Galilean library reduction is proved under explicit autonomy and library assumptions. The stability-selection step is motivated by classical false-positive bounds, while formal guarantees for correlated PDE design matrices remain open.
Authors: Amanda S Barnard
Abstract: Missing values are routinely treated as defects to be eliminated through deletion or imputation prior to machine learning. In many applied domains, however, missingness itself carries information, reflecting experimental constraints, measurement choices, or systematic mechanisms tied to the data-generating process. Eliminating or masking this structure can distort class boundaries, introduce bias, and reduce generalisability; particularly in imbalanced datasets where minority classes are already under-represented. OverNaN is a lightweight, NaN-aware oversampling framework designed to address class imbalance without erasing missingness structure. It extends common synthetic oversampling methods to operate directly on incomplete feature vectors, allowing missing values to be preserved, propagated, or selectively interpolated according to explicitly defined strategies. Rather than repairing missing data, OverNaN treats missingness as part of the feature space over which synthetic samples are generated. This paper situates OverNaN within the broader landscape of imbalanced learning, missing-data handling, and NaN-tolerant algorithms. Using representative examples included with the software, we demonstrate that meaningful missingness can be retained during oversampling without introducing artificial certainty. OverNaN is intended for practitioners working with small, incomplete, and imbalanced datasets in scientific and engineering domains where missingness is unavoidable and often informative.
Authors: Abtin Mahyar, Masoumeh Shafieinejad, Yuhan Liu, Xi He
Abstract: Diffusion models are the leading approach for tabular data synthesis and are increasingly used to share sensitive records. Whether they actually protect privacy has become a pressing question. Membership inference attacks are the standard tool for this purpose, yet existing attacks assume a single-table setting and ignore the multi-relational structure of real sensitive data. A core challenge in assessing privacy risks from membership inference attacks in multi-table settings is how to leverage auxiliary information from relations associated with the target table, such as its parent tables. Particularly, we study a practical setting in which such auxiliary information is available only when training the attack model. At inference time, the attacker observes only the attribute values of the target record from the target table. We propose FERMI (FEature-mapping for Relational Membership Inference), which resolves this gap by enriching single-table features with relational membership signal. Across three tabular diffusion architectures and three real-world relational datasets, FERMI consistently improves attack performance over single-table baselines, with TPR@$0.1$FPR rising by up to 53% over the single-table baseline in the white-box setting and 22% in the black-box setting.
Authors: Tatsuhito Hasegawa, Taisei Tanaka
Abstract: Single-model ensembles (SMEs) have attracted attention as a way to approximate some of the benefits of deep ensembles within a single network. However, under an approximately matched parameter budget, it remains unclear whether model capacity should be concentrated in a single wide pathway or redistributed into many narrow and independent members. We investigate this question through the Multi-Narrow (MN) transformation, which converts a baseline CNN into an SME of narrow, path-wise independent branches while approximately preserving the dominant parameter budget. We systematically compare Single-Wide and Multi-Narrow configurations across different training-data regimes, architectures, and datasets. The results show that the effectiveness of MN is strongly data-dependent: weakly partitioned or baseline-wide models are preferable in data-rich settings, whereas highly partitioned MN models consistently outperform the baseline in low-data settings. This tendency is reproduced across multiple CNN architectures and image-classification datasets, suggesting that it is not specific to a single benchmark or model family. Analysis of internal representations shows that high-MN models learn more diverse and less redundant path-wise features. In low-data regimes, this diversity is broadly utilized and improves generalization, whereas in data-rich regimes, training becomes imbalanced and prediction is dominated by a small subset of paths. These findings clarify when and why Multi-Narrow transformation is effective, and provide practical guidance for allocating model capacity between width and member multiplicity under a limited budget.
Authors: Kihyun Yu, Seoungbin Bae, Dabeen Lee
Abstract: Existing work on linear constrained Markov decision processes (CMDPs) has primarily focused on stochastic settings, where the losses and costs are either fixed or drawn from fixed distributions. However, such formulations are inherently vulnerable to adversarially changing environments. To overcome this limitation, we propose a primal-dual policy optimization algorithm for online finite-horizon {adversarial} linear CMDPs, where the losses are adversarially chosen under full-information feedback and the costs are stochastic under bandit feedback. Our algorithm is the \emph{first} to achieve sublinear regret and constraint violation bounds in this setting, both bounded by $\widetilde{\mathcal{O}}(K^{3/4})$, where $K$ denotes the number of episodes. The algorithm introduces and runs with a new class of policies, which we call weighted LogSumExp softmax policies, designed to adapt to adversarially chosen loss functions. Our main result stems from the following key contributions: (i) a new covering number argument for the weighted LogSumExp softmax policies, and (ii) two novel algorithmic components -- periodic policy mixing and a regularized dual update -- which allow us to effectively control both the covering number and the dual variable. We also report numerical results that validate our theoretical findings on the performance of the algorithm.
Authors: Ankit Jyothish, Ali Jannesari, Aishwarya Sarkar, Joseph Zuber
Abstract: The Mixture of Experts (MoE) architecture has become a fundamental building block in state-of-the-art large language models (LLMs), improving domain-specific expertise in LLMs and scaling model capacity without proportionally increasing their computational overhead. However, MoE inference often suffers from suboptimal GPU utilization, load imbalance, and elevated latency arising from multiple tokens waiting on the same experts for their computation which arises from sparsity of expert activation. To address these challenges, we propose a dynamic expert replication strategy that predicts which experts are likely to be overloaded and replicates them for upcoming batches of tokens. The replicated experts process batch tokens concurrently across layers, which leads to improved parallelism, shorter GPU idle time, and significantly faster inference. Experimental evaluations conducted on large-scale MoE models, including Switch-base-128 and Switch-base-256, demonstrate that our method achieves near-complete GPU utilization (approx 100%), leading to upto 3x improvement in inference speed while preserving approximately 90-95% of the performance of baseline architectures
Authors: Aditi Gupta, Soon Hoe Lim, Annan Yu, N. Benjamin Erichson
Abstract: Flow matching models generate samples by numerically integrating a learned velocity field, with each integration step requiring a neural network evaluation. Fast generation therefore requires using a small fixed evaluation budget effectively: the key question is not only how to integrate the flow, but where the sampler should spend its steps. We propose SharpEuler, a training-free sampler that profiles a pretrained model offline by estimating where the learned velocity field changes most rapidly along calibration trajectories. This finite-difference estimate defines a solver-aware sharpness profile, which is smoothed and converted by a quantile transform into a timestep grid for any desired inference budget. At test time, sampling remains ordinary Euler integration with the same number of model evaluations as a uniform schedule. We justify SharpEuler using three principles: a numerical principle identifying trajectory acceleration as the leading source of Euler discretization error, a variational principle deriving sharpness-based power-law timestep densities, and a statistical guarantee showing that the finite-sample calibrated sampler is stable at the terminal distribution level. Our experiments show that SharpEuler improves sample quality at fixed budgets, reducing inter-mode leakage and increasing mode coverage.
Authors: Aryan Gondkar, Hayder Radha, Yiming Deng
Abstract: Detecting out-of-distribution (OOD) samples is critical for safe deployment of neural networks in safety-critical applications. While maximum softmax probability (MSP) provides a simple baseline, it lacks theoretical grounding and suffers from miscalibration. We propose VNDUQE (VIB-based Novelty Detection and Uncertainty Quantification for Nondestructive Evaluation), which investigates novelty detection through the Deep Variational Information Bottleneck (VIB), which explicitly constrains information flow through learned representations. We train VIB models on MNIST with held-out digit classes and evaluate OOD detection using information-theoretic metrics: KL divergence and prediction entropy. Our results reveal complementary detection signals: KL divergence achieves perfect detection (100\% AUROC on noise) on far-OOD samples (noise, domain shift), while prediction entropy excels at near-OOD detection (94.7\% AUROC on novel digit classes). A parallel detection strategy combining both metrics achieves 95.3\% average AUROC and 92\% true positive rate at 5\% false positive rate, which is a 32 percentage point improvement over baseline MSP (85.0\% AUROC, 60.1\% TPR). Compression via the information bottleneck principle ($\beta=10^{-3}$) reduces Expected Calibration Error by 38\%, demonstrating that information-theoretic constraints produce fundamentally more reliable uncertainty estimates. These findings directly support active learning with expensive computational oracles, where well-calibrated novelty detection enables principled threshold selection for oracle queries.
Authors: Hongmin Li
Abstract: Task-agnostic structure proxies are often used to interpret why one pretraining corpus transfers better than another, but such explanations require the proxy to track the structure that matters for the downstream task. We test this requirement in a fixed pretraining-and-probing setup motivated by computationally bounded notions of learned structure, including epiplexity. The core question is whether a proxy ranking of two pretraining datasets must agree with their ranking by OOD probe accuracy. We show that it need not. First, we give a controlled construction in which a formal structure quantity, its operational proxy, and the task-relevant structure for a target family separate. We then instantiate the same mechanism in a synthetic sequence-model experiment: under the primary all-sample evaluation, the OOD accuracy ranking reverses the proxy ranking in two of three seeds, with auxiliary diagnostics and ablations supporting the same interpretation. The counterexample does not reject structure-based explanations in general; it identifies a boundary on strong proxy-based explanations. A proxy for total learned structure can fail to track the task-relevant structure that drives OOD performance, even in a controlled setting.
Authors: Seokhun Park, Choeun Kim, Kwanho Lee, Sehyun Park, Insung Kong, Yongdai Kim
Abstract: Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory efficiency, as well as interpretability. However, training neural networks with Heaviside activations remains challenging, as their non-differentiability obstructs standard gradient-based optimization. In this paper, we propose Heavy Tailed Activation Function (HTAF), a smooth approximation to the Heaviside function that enables stable training with gradient-based optimization. We construct HTAF as a sigmoid hyperbolic tangent composite function and theoretically show that it maintains a large gradient mass around zero inputs while exhibiting slower gradient decay in the tail regions. We show that Spiking Neural Networks, Binary Neural Networks and Deep Heaviside neural Networks can be trained stably using HTAF with gradient-based optimization. Finally, we introduce Implicit Concept Bottleneck Models (ICBMs), an interpretable image model that leverages HTAF to induce discrete feature representations. Extensive experiments across various architectures and image datasets demonstrate that ICBM enables stable discretization while achieving prediction performance comparable to or better than standard models.
Authors: Alberto Fern\'andez-Hern\'andez, Jose I. Mestre, Cristian P\'erez-Corral, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: Activation functions are what make deep networks expressive: without them, the model collapses to a linear map. Yet we still evaluate training mostly from the outside, through loss, accuracy, return, or final calibration, while the internal structural evolution of the network remains largely unobserved. In this paper, we argue that the Overfitting--Underfitting Indicator (OUI) should be understood as a first practical observable of that internal structure. Across our recent results, OUI consistently appears as an early, label-free, activation-based signal that reveals whether a network is entering a poor or promising training regime before convergence. In supervised learning, it anticipates weight decay regimes; in reinforcement learning, it discriminates learning-rate regimes early in PPO actor--critic; and in online control, it can drive layer-wise weight decay adaptation. Read together with recent evidence that activation patterns tend to stabilize earlier than parameters, these results suggest a broader research direction: an activation-centric theory of training dynamics. OUI is becoming an empirical foothold toward this theory.
Authors: Alberto Fern\'andez-Hern\'andez, Jose I. Mestre, Cristian P\'erez-Corral, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: Federated learning usually aggregates client updates using dataset size or gradient-level criteria, while overlooking internal signals about how each client model is organizing its input space during training. We introduce FedOUI, a simple aggregation rule based on the Overfitting-Underfitting Indicator (OUI), an activation-based and label-free metric. Each participating client sends its local update together with a OUI value computed on a fixed probe batch, and the server estimates the round-wise OUI distribution to assign lower weights to structurally atypical clients through a smooth reweighting rule. We evaluate FedOUI on CIFAR-10 under strong non-IID partitioning and noisy-client conditions, comparing it with FedAvg, FedProx, and a gradient-alignment baseline. The clearest gains appear under strong heterogeneity, where OUI-based weighting improves aggregation quality while remaining lightweight and interpretable. These results show that internal activation structure can provide useful information for federated aggregation beyond client size and gradient geometry.
Authors: Kihyun Yu, Beomhan Baek, Dabeen Lee
Abstract: We study infinite-horizon average-reward constrained Markov decision processes (CMDPs) under the weakly communicating assumption. Our contributions are twofold. First, we establish strong duality for weakly communicating average-reward CMDPs over stationary policies with finite state and action spaces. Despite the absence of a linear programming formulation and the resulting nonconvexity under the weakly communicating setting, we show that strong duality still holds by carefully exploiting the geometric structure of the occupation measure set. Second, building on this result, we propose a primal--dual clipped value iteration algorithm for learning weakly communicating average-reward linear CMDPs. Our algorithm achieves regret and constraint violation bounds of $\widetilde{\mathcal{O}}(T^{2/3})$, improving upon the best known bounds, where $T$ denotes the number of interactions. Our approach extends clipped value iteration to the constrained setting and adapts it to a finite-horizon approximation, which stabilizes the dual variable and is crucial for achieving improved regret bounds. To analyze this, we develop a novel approach based on strong duality that enables the decomposition of the composite Lagrangian regret into separate bounds on regret and constraint violation.
Authors: Mengying Zhang, Derui Wang, Ruoxi Sun, Xiaoyu Xia, Shuang Hao, Minhui Xue
Abstract: Advanced model dememorization methods, including availability poisoning (unlearnability) and machine unlearning, are emerging as key safeguards against data misuse in machine learning (ML). At the training stage, unlearnability embeds imperceptible perturbations into data before release to reduce learnability. At the post-training stage, unlearning removes previously acquired information from models to prevent unauthorized disclosure or use. While both defenses aim to preserve the right to withhold knowledge, their vulnerabilities and shared foundations remain unclear. Specifically, both unlearnability and unlearning suffer from issues such as shallow dememorization, leading to falsely claimed data learnability reduction or forgetting in the presence of weight perturbations. Moreover, input perturbations may affect the effectiveness of downstream unlearning, while unlearning may inadvertently recover domain knowledge hidden by unlearnability. This interplay calls for deeper investigation. Finally, there is a lack of formal guarantees to provide theoretical insights into current defenses against shallow dememorization. In this Systematization of Knowledge, we present the first integrated analysis of model dememorization approaches leveraging unlearnability and unlearning. Our contributions are threefold: (i) a unified taxonomy of unlearnability and scalable unlearning methods; (ii) an empirical evaluation revealing the robustness, interplay, and shallow dememorization of leading methods; and (iii) the first theoretical guarantee on dememorization depth for models processed through certified unlearning. These results lay the foundation for unifying dememorization mechanisms across the ML lifecycle to achieve a deeper immemor state for sensitive knowledge.
Authors: Madhurima Panja, Danny D'Agostino, Huitao Li, Tanujit Chakraborty, Nan Liu
Abstract: The increasing adoption of data-driven decision-making in public health has established epidemic forecasting as a critical area of research. Recent advances in multivariate forecasting models better capture complex temporal dependencies than conventional univariate approaches, which model individual series independently. Despite this potential, the development of robust epidemic forecasting methods is constrained by the lack of high-quality benchmarks comprising diverse multivariate datasets across infectious diseases and geographical regions. To address this gap, we present EpiCastBench, a large-scale benchmarking framework featuring 40 curated (correlated) multivariate epidemic datasets. These publicly available datasets span a wide range of infectious diseases and exhibit diverse characteristics in terms of temporal granularity, series length, and sparsity. We analyze these datasets to identify their global features and structural patterns. To ensure reproducibility and fair comparison, we establish standardized evaluation settings, including a unified forecasting horizon, consistent preprocessing pipelines, diverse performance metrics, and statistical significance testing. By leveraging this framework, we conduct a comprehensive evaluation of 15 multivariate forecasting models spanning statistical baselines to state-of-the-art deep learning and foundation models. All datasets and code are publicly available on Kaggle (https://www.kaggle.com/datasets/aimltsf/epicastbench) and GitHub (https://github.com/aimltsf/EpiCastBench).
URLs: https://www.kaggle.com/datasets/aimltsf/epicastbench), https://github.com/aimltsf/EpiCastBench).
Authors: Hongmin Li
Abstract: Fixed reasoning benchmarks evaluate canonical prompts, but semantically valid changes in presentation can still change model behavior. Studies of prompt variation can reveal such failures, but without audit they can mix genuine model errors with invalid perturbations, extraction artifacts, and unmatched search procedures. We propose an audit-constrained protocol for targeted reasoning evaluation. Prompt variants are generated from a finite component grammar, rendered deterministically, evaluated under a fixed query budget, and counted as model errors only after semantic and extraction audit. Within this protocol we instantiate Component-Adaptive Prompt Sampling (CAPS), a score-based sampler over prompt components, and compare it with equal-budget uniform component sampling under the same task bank, renderer, model interface, decoding settings, and audit procedure. Across three audited slices, the protocol identifies confirmed model-error prompt keys while excluding formatting and extraction artifacts, but matched comparisons do not show that CAPS improves audited yield or unique prompt-key discovery over uniform sampling. The contribution is methodological: targeted prompt variation can be studied under a reconstructable, reviewable, budget-matched protocol, and proxy-guided policies should be judged by audited yield rather than raw mismatch counts or selected examples alone.
Authors: Guobin Shen, Xiang Cheng, Chenxiao Zhao, Lei Huang, Jindong Li, Dongcheng Zhao, Xing Yu
Abstract: On-policy self-distillation, where a student is pulled toward a copy of itself conditioned on privileged context (e.g., a verified solution or feedback), offers a promising direction for advancing reasoning capability without a stronger external teacher. Yet in math reasoning the gains are inconsistent, even when the same approach succeeds elsewhere. A pointwise mutual information analysis traces the failure to the privileged context itself: it inflates the teacher's confidence on tokens already implied by the solution (structural connectives, verifiable claims) and deflates it on deliberation tokens ("Wait", "Let", "Maybe") that drive multi-step search. We propose Anti-Self-Distillation (AntiSD), which ascends a divergence between student and teacher rather than descending it: this reverses the per-token sign and yields a naturally bounded advantage in one step. An entropy-triggered gate disables the term once the teacher entropy collapses, completing a drop-in replacement for default self-distillation. Across five models from 4B to 30B parameters on math reasoning benchmarks, AntiSD reaches the GRPO baseline's accuracy in 2 to 10x fewer training steps and improves final accuracy by up to 11.5 points. AntiSD opens a path to scalable self-improvement, where a language model bootstraps its own reasoning through its training signal.
Authors: Guobin Shen, Lei Huang, Xiang Cheng, Chenxiao Zhao, Jindong Li, Dongcheng Zhao, Xing Yu
Abstract: On-policy self-distillation has emerged as a promising paradigm for post-training language models, in which the model conditions on environment feedback to serve as its own teacher, providing dense token-level rewards without external teacher models or step-level annotations. Despite its empirical success, what this reward actually measures and what kind of credit it assigns remain unclear. Under a posterior-compatibility interpretation of feedback conditioning, standard in the implicit-reward literature, we show that the self-distillation token reward is a Bayesian filtering increment whose trajectory sum is exactly the pointwise mutual information between the response and the feedback given the input. This pMI can be raised by input-specific reasoning or by input-generic shortcuts, so we further decompose the teacher log-probability along the input axis. Based on this analysis, we propose CREDIT (Contrastive REward from DIsTillation), which isolates the input-specific component with a batch-contrastive baseline. At the sequence level, CREDIT is a teacher-side surrogate for a contrastive pMI objective that also penalizes responses remaining likely under unrelated inputs. Across coding, scientific reasoning, and tool-use benchmarks on two model families, CREDIT delivers the strongest aggregate performance at negligible additional compute.
Authors: Phu-Hoa Pham, Chi-Nguyen Tran, Nguyen Lam Phu Quy, Dao Sy Duy Minh, Huynh Trung Kiet, Long Tran-Thanh
Abstract: Streaming decision trees are natural candidates for open-world continual learning, as they perform local updates, enjoy bounded memory, and static decision boundaries. Despite these, they still fail in online class-incremental learning due to two coupled miscalibrations: (i) their split criterion grows unreliable as the class count K expands, and (ii) the absence of knowledge transfer at split time. Both failures share a common root: the range of Information Gain intrinsically scales with log2 K. Consequently, any Hoeffding-style confidence radius derived from it must inevitably grow with the class count, making a K-independent split criterion structurally impossible, taking away the potential benefits of applying streaming decision trees to continual learning. To fix this issue, we present MIST (McDiarmid Incremental Streaming Tree), which resolves both failures through three integrated components: (i) a tight, K-independent McDiarmid confidence radius for Gini splitting that acts as a structural regulariser; (ii) a Bayesian inheritance protocol that projects parent statistics to child nodes via truncated-Gaussian moments, with variance reduction guarantees strongest precisely when splitting is most conservative; and (iii) per-leaf KLL quantile sketches that support both continuous threshold evaluation and geometry-adaptive leaf prediction from a single data structure. On standard and stress-test tabular streams, MIST is competitive with global parametric methods on near-Gaussian benchmarks and uniquely robust on non-Gaussian geometry where SOTA benchmarks collapse.
Authors: Liqin Ye, Yanbin Yin, Michael Galarnyk, Yuzhao Heng, Sudheer Chava, Chao Zhang
Abstract: The reasoning frontier of Large Language Models (LLMs) has advanced significantly through modern post-training paradigms (e.g., Reinforcement Learning from Verifiable Rewards (RLVR)). However, the efficacy of these methods remains fundamentally constrained by the diversity and complexity of the training data. One practical solution is data synthesis; yet, prevalent methods relying on unstructured mutation or exploration suffer from homogeneity collapse, failing to systematically expand the reasoning frontier. To overcome this, we propose Evoutionary Task Discovery (EvoTD), a framework that treats data synthesis as a directed search over a dual-axis manifold of Algorithmic Skills and Complexity Attributes. We introduce structured evolutionary operators to navigate this space: a Crossover operator that synthesizes novel skill compositions to enhance diversity, and a Parametric Mutation operator that scales structural constraints (e.g., input size, tree depth) to drive robust generalization. Crucially, we integrate a dynamic Zone of Proximal Development filter, ensuring tasks lie within the learnable region of the model. Empirically, EvoTD delivers substantial reasoning gains that generalize consistently across model architectures, pretraining regimes, and scales, demonstrating that structured evolutionary curricula can effectively support reasoning improvement. We release our code on https://github.com/liqinye/EvoTD.
Authors: Ehsan Lari, Reza Arablouei, Stefan Werner
Abstract: We propose a Byzantine-resilient federated conformal prediction (FCP) method that leverages partial model sharing, where only a subset of model parameters is exchanged each round. Unlike existing robust FCP approaches that primarily harden the calibration stage, our method protects both the federated training and conformal calibration phases. During training, partial sharing inherently restricts the attack surface and attenuates poisoned updates while reducing communication. During calibration, clients compress their non-conformity scores into histogram-based characterization vectors, enabling the server to detect Byzantine clients via distance-based maliciousness scores and to estimate the conformal quantile using only benign contributors. Experiments across diverse Byzantine attack scenarios show that the proposed method achieves closer-to-nominal coverage with substantially tighter prediction intervals than standard FCP, establishing a robust and communication-efficient approach to federated uncertainty quantification.
Authors: Mingu Kang, Sunwoo Lee, Yonghyeon Jo, Seungyul Han
Abstract: Zero-shot coordination (ZSC) aims to enable agents to cooperate with independently trained partners without prior interaction, a key requirement for real-world multi-agent systems and human-AI collaboration. Existing approaches have largely emphasized increasing partner diversity during training, yet such strategies often fall short of achieving reliable generalization to unseen partners. We introduce State-Blocked Coordination (SBC), a simple yet effective framework that improves ZSC by inducing diverse interaction scenarios without direct environment modification. Specifically, SBC generates a family of virtual environments through state blocking, allowing agents to experience a wide range of suboptimal partner policies. Across multiple benchmarks, SBC demonstrates superior performance in zero-shot coordination, including strong generalization to human partners.
Authors: Margaret Li, Sneha Kudugunta, Danielle Rothermel, Luke Zettlemoyer
Abstract: Mixture-of-Experts (MoE) architectures have become standard in large language models, yet many of their core design choices - expert count, granularity, shared experts, load balancing, token dropping - have only been studied one or two at a time over narrow configuration ranges. It remains an open question whether these choices can be optimized independently, without considering interactions. We present the first systematic study of over 2,000 pretraining runs spanning models up to 6.6B total parameters, in which we exhaustively vary total experts, expert dimension, heterogeneous expert sizing within a single layer, shared expert size and load-balancing mechanisms. We find that at every active-parameter scale that we study, performance consistently improves with total MoE parameters even at extreme active expert parameter ratios like 128.Further, the optimal expert size is nearly invariant to total parameter count and depends only on active parameter count. Third, we see that other choices like shared experts, heterogeneous experts and load-balancing settings have small effects relative to expert count and granularity, although dropless routing yields a consistent gain. Overall, our results suggest a simpler recipe: focus on expert count and granularity, other choices have minimal effect on final quality.
Authors: Hamda Hmida, Hsiu-Wen Chang, Youssef Mesri
Abstract: Partial differential equations (PDEs) govern diverse physical phenomena, yet high-fidelity numerical solutions are computationally expensive and Machine Learning approaches lack generalization. While Scientific Foundation Models (SFMs) aim to provide universal surrogates, typical encoding-decoding approaches suffer from high pretraining costs and limited interpretability. In this paper, we propose Compositional Neural Operators (CompNO) for 2D systems, a framework that decomposes complex PDEs into a library of Foundation Blocks. Each block is a specialized Neural Operator pretrained on elementary physics. This modular library contains convection, diffusion, and nonlinear convection blocks as well as a Poisson Solver, enabling the framework to address the pressure-velocity coupling. These experts are assembled via an Adaptation Block featuring an Aggregator. This aggregator learns nonlinear interactions by minimizing data loss and physics-based residuals driven from governing equations. The proposed approach has been evaluated on the Convection-Diffusion equation, the Burgers' equation, and the Incompressible Navier-Stokes equation. Our results demonstrate that learning from elementary operators significantly improves adaptability, enhances model interpretability and facilitates the reuse of pretrained blocks when adapting to new physical systems.
Authors: Michael Lu, Max Qiushi Lin, Mo Chen, Sharan Vaswani
Abstract: We study policy optimization for infinite-horizon, discounted constrained Markov decision processes (CMDPs). While existing theoretical guarantees typically hold for the mixture policy, deploying such a policy is computationally and memory intensive. This leads to a practical mismatch where a single (last-iterate) policy must be deployed. Recent theoretical works have thus focused on proving last-iterate convergence, but are largely limited to the tabular setting or to algorithmic variants that are rarely used in practice. To address this, we use the classic inexact augmented Lagrangian ($\texttt{AL}$) method from constrained optimization, and propose a general framework with provable last-iterate convergence for CMDPs. We first focus on the tabular setting and propose to solve the $\texttt{AL}$ sub-problem with projected Q-ascent ($\texttt{PQA}$). Combining the theoretical guarantees of $\texttt{PQA}$ and the standard $\texttt{AL}$ analysis enables us to establish global last-iterate convergence. We generalize these results to handle log-linear policies, and demonstrate that an efficient, projected variant of $\texttt{PQA}$ can achieve last-iterate convergence with comparable guarantees as prior work. Finally, we demonstrate that our framework scales to complex non-linear policies, and evaluate it on continuous control tasks.
Authors: Xinyi Gao, Xinyu Ren, Junliang Yu, Tong Chen, Quoc Viet Hung Nguyen, Hongzhi Yin
Abstract: Large language models (LLMs) are increasingly used to complete complex tasks by selecting and coordinating external tools across multiple steps. This requires aligning tool choices with subtask intent while satisfying directional execution dependencies among tools. To do this, existing methods model these dependencies as tool graphs and incorporate the graphs with LLMs through retrieval, serialization, or prompt-level injection. However, these external graph-use strategies all follow a matching paradigm, which often fails to align tool choices with the underlying subtask structure, producing semantically plausible plans that violate graph constraints. This issue is further exacerbated by error accumulation, where an early incorrect tool selection shifts the plan into an invalid graph state and causes subsequent predictions to drift away from the valid execution path. To address these challenges, we propose GRAFT, a graph-tokenized language model framework for dependency-aware tool planning. GRAFT internalizes the tool graph by mapping each tool node to a dedicated special token and learning directed tool dependencies within the representation space. It further introduces on-policy tool context distillation, training the model on its own sampled trajectories while distilling stepwise planning signals. Experiments show that GRAFT achieves state-of-the-art performance in exact sequence matching and dependency legality, supporting more reliable LLM tool planning in complex workflows.
Authors: Phu-Quy Nguyen-Lam, Phu-Hoa Pham, Dao Sy Duy Minh, Chi-Nguyen Tran, Huynh Trung Kiet, Long Tran-Thanh
Abstract: Object-centric representations promise a key property for few-shot learning: Rather than treating a scene as a single unit, a model can decompose it into individual object-level parts that can be matched and compared across different concepts. In practice, this potential is rarely realized. Continual learners either collapse scenes into global embeddings, or train with part-level matching objectives that tie representations too closely to seen patterns, leaving them unable to generalize to truly novel concepts. In this paper, we identify this fundamental structural conflict and pioneer a new paradigm that strictly decouples representation learning from compositional inference. Leveraging the inherent patch-level semantic geometry of self-supervised Vision Transformers (ViTs), our framework employs a dual-phase strategy. During training, slot representations are optimized entirely toward holistic class identity, preserving highly generalizable, object-level geometries. At inference, preserved slots are dynamically composed to match novel scenes. We demonstrate that this paradigm offers dual structural benefits: The frozen backbone naturally prevents representation drift, while our lightweight, holistic optimization preserves the features' capacity for novel-concept transfer. Extensive experiments validate this approach, achieving state-of-the-art unseen-concept generalization and minimal forgetting across standard continual learning benchmarks.
Authors: Jiafei Lyu, Zichuan Lin, Scott Fujimoto, Kai Yang, Yangkun Chen, Saiyong Yang, Zongqing Lu, Deheng Ye
Abstract: Model-based representations recently stand out as a promising framework that embeds latent dynamics information into the representations for downstream off-policy actor-critic learning. It implicitly combines the advantages of both model-free and model-based approaches while avoiding the training costs associated with model-based methods. Nevertheless, existing model-based representation methods can fail to capture sufficient information about relevant variables and can overfit to early experiences in the replay buffer. These incur biases in representation and actor-critic learning, leading to inferior performance. To address this, we propose Debiased model-based Representations for Q-learning, tagged DR.Q algorithm. DR.Q explicitly maximizes the mutual information between the representations of the current state-action pair and the next state besides minimizing their deviations, and samples transitions with faded prioritized experience replay. We evaluate DR.Q on numerous continuous control benchmarks with a single set of hyperparameters, and the results demonstrate that DR.Q can match or surpass recent strong baselines, sometimes outperforming them by a large margin. Our code is available at https://github.com/dmksjfl/DR.Q.
Authors: Yan Jiang, Ruihong Qiu, Zi Huang
Abstract: Recently, reinforcement learning (RL) has been widely applied during post-training for diffusion large language models (dLLMs) to enhance reasoning with block-wise semi-autoregressive generation. Block size has therefore become a vital factor in dLLMs, since it determines the parallel decoding granularity and affects the rollout trajectories during RL optimisation, e.g., GRPO. Instead of investigating the effect of block size during inference on individual domains, this paper studies block size from a domain conflict perspective for dLLM RL post-training in multi-domain scenarios. The main contributions are: (1) a formulation of domain block size conflict in multi-domain RL for dLLMs, which will largely affect the post-training effectiveness for rollout-based RL methods; (2) a novel dataset, Block-R1-41K is constructed with a best-improved training block size for each sample, which also induces a Block Size Conflict Score to quantitatively measure the domain conflict; (3) a new benchmark, Block-R1, for flexible RL post-training for dLLMs in both single and cross domain; and (4) a simple yet powerful cross-domain post-training method with sample-level best-improved training block sizes. Extensive experiments on 13 distinct datasets, 7 latest RL algorithms and diverse dLLM backbones are comprehensively covered in Block-R1. The benchmark is open-sourced at https://github.com/YanJiangJerry/Block-R1 with the dataset released at https://huggingface.co/datasets/YanJiangJerry/Block-R1-41K.
URLs: https://github.com/YanJiangJerry/Block-R1, https://huggingface.co/datasets/YanJiangJerry/Block-R1-41K.
Authors: Cristian Morasso, Anisa Halimi, Muhammad Zaid Hameed, Douglas Leith
Abstract: Automated red-teaming for LLMs often discovers narrow attack slices, missing diverse real-world threats, and yielding insufficient data for safety fine-tuning. We introduce Persona-Conditioned Adversarial Prompting (PCAP), which conditions adversarial search on diverse attacker personas (e.g., doctors, students, malicious actors) and strategy sets to explore realistic attack scenarios. By running parallel persona-conditioned searches, PCAP discovers transferable jailbreaks across different contexts and generates rich defense datasets with automatic metadata tracking. On GPT-OSS 120B, PCAP increases attack success from 57\% to 97\% while producing 2-6$\times$ more diverse prompts covering varied real-world scenarios. Critically, fine-tuning lightweight adapters on PCAP-generated data significantly improves model robustness (recall: 0.36 $\rightarrow$ 0.99, F1: 0.53 $\rightarrow$ 0.96) with minimal false positives, demonstrating a practical closed-loop approach from vulnerability discovery to automated alignment.
Authors: Yichen Zhang, Jun Li
Abstract: The efficient operation of modern cellular networks hinges on the accurate analysis of spatio-temporal traffic data. Mastering these patterns is essential for core network functions, chiefly forecasting future load to pre-empt congestion and imputing missing values caused by sensor failures or transmission errors to ensure data continuity. While deeply connected, forecasting and imputation have historically evolved as separate sub-fields. The dominant paradigm, Spatio-Temporal Graph Neural Networks (STGNNs), while effective, are often specialized, computationally intensive, and exhibit limited generalization. Concurrently, adapting large pre-trained language models (LLMs) offers a powerful alternative for sequence modeling, yet existing approaches provide weak structural guidance, leading to unstable convergence and a narrow focus on forecasting. To bridge these gaps, we propose U-STS-LLM, a unified framework built on a spatio-temporally steered LLM. Our core innovation is a Dynamic Spatio-Temporal Attention Bias Generator that synthesizes a persistent functional graph with transient nodal states to explicitly steer the LLM's attention. Coupled with a partially frozen backbone tuned via Low-Rank Adaptation (LoRA) and a Gated Adaptive Fusion mechanism, the model achieves stable, parameter-efficient adaptation. Trained under a unified multi-task objective, U-STS-LLM learns a holistic data representation. Extensive experiments on real-world cellular datasets demonstrate that U-STS-LLM establishes new state-of-the-art performance in both long-horizon forecasting and high-missing-rate imputation, while maintaining remarkable training efficiency and stability, offering a novel blueprint for harnessing foundation models in structured, non-linguistic domains.
Authors: Xinrui Wang, Shao-Yuan Li, Bart{\l}omiej Twardowski, Alexandra Gomez-Villa, Songcan Chen
Abstract: Online Continual Learning (OCL) aims to learn from endless non\text{-}stationary data streams, yet most existing methods assume a flat label space and overlook the hierarchical organization of real\text{-}world concepts that evolves both horizontally (sibling classes) and vertically (coarse or fine categories). To better reflect this context, we introduce a new problem setting, DHOCL (Online Continual Learning from Dynamic Hierarchies), where taxonomies evolve across granularities and each sample provides supervision at a single hierarchical level. In this setting, we find two fundamental issues: (i) partial supervision under mixed granularities provides only point-wise signals over an evolving path-wise hierarchy, which constrains plasticity and undermines cross-level semantic consistency, and (ii) the dynamically evolving hierarchies induce granularity-dependent interference, destabilizing popular replay and regularization mechanisms and thereby exacerbating catastrophic forgetting. To tackle these issues, we propose HALO (Hierarchical Adaptive Learning with Organized Prototypes), which adaptively combines complementary classification heads, regularized by organized learnable hierarchical prototypes, enabling rapid adaptation, hierarchical consistency, and structured knowledge consolidation as the taxonomy evolves. Extensive experiments on multiple benchmarks demonstrate that HALO consistently outperforms existing methods across hierarchical accuracy, mistake severity, and continual performance.
Authors: Yingjie Zhou, Yuqin Xie, Fanxing Liu, Dongjin Song, Ce Zhu, Lingqiao Liu
Abstract: Weakly supervised graph anomaly detection aims to unveil unusual graph instances, e.g., nodes, whose behaviors significantly differ from normal ones, given only a limited number of annotated anomalies and abundant unlabeled samples. A major challenge is to learn a meaningful latent feature representation that reduces intra-class variance among normal data while remaining highly sensitive to anomalies. Although recent works have applied self-supervised feature learning for graph anomaly detection, their strategies are not specifically tailored to its unique requirements, motivating our exploration of a more domain-specific approach. In this paper, we introduce a weakly supervised graph anomaly detection method that leverages a feature learning strategy tailored for graph anomalies. Our approach is built upon a multi-task learning scheme that extracts robust feature representations through synthesized anomalies. We generate synthetic anomalies by perturbing the normal graph in various ways and assign a dedicated detection head to each anomaly type, ensuring that learned features are sensitive to potential deviations from normal patterns. Although synthetic anomalies may not perfectly replicate real-world patterns, they provide valuable auxiliary data for effective feature learnin, much like features learned from ImageNet classification transfer to downstream vision tasks. Additionally, we adopt a two-phase learning strategy: an initial warm-up phase using only synthetic samples, followed by a full-training phase integrating both tasks, to balance the influence of synthetic and real data. Extensive experiments on public datasets demonstrate the superior performance of our method over its competitors. Code is available at https://github.com/yj-zhou/SAWGAD.
Authors: Qijun Hou, Yuchen Shi, Pingyi Fan, Khaled B. Letaief
Abstract: Federated learning relies on effective client selection to alleviate the performance degradation caused by data heterogeneity. Most existing methods assume full visibility of all clients at each communication round. However, in large-scale or edge-based deployments, the server can only access a subset of clients due to communication, mobility, or availability constraints, resulting in partial visibility where only a subset of clients is observable for aggregation in each communication round. In this paper, we formulate federated client selection under partial visibility as a Partially Observable Markov Decision Process (POMDP) and propose a Spatial-Temporal attention-based reinforcement learning framework. By integrating historical global models and client identity embeddings, the proposed method captures both the temporal contexts of training and the persistent characteristics of clients. Experimental results across multiple datasets demonstrate that our approach achieves superior performance compared to existing baselines in heterogeneous and partially visible settings, validating its effectiveness in addressing the challenges of incomplete observations in practical federated learning systems.
Authors: Jiaqi Han, Puheng Li, Qiushan Guo, Renyuan Xu, Stefano Ermon, Emmanuel J. Cand\`es
Abstract: Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256$\times$256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100$\times$ faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.
Authors: Thor Klamt, Wolfgang Nejdl, Ming Tang
Abstract: Machine-learning predictors of biochemical activity often exhibit large random-split-to-leave-one-target-out generalisation gaps that have been documented but not decomposed. We frame this as an evaluation-science question and use targeted protein degradation as the empirical test bed. PROTACs (proteolysis-targeting chimeras) are heterobifunctional small molecules that induce targeted protein degradation, with more than forty candidates currently in clinical trials; published predictors report AUROC of 0.85 to 0.91 under random-split cross-validation, while the leave-one-target-out (LOTO) protocol of Ribes et al. reduces performance to approximately 0.67. Random splits reward within-target interpolation, whereas LOTO measures the novel-target prediction that de-novo design depends on. We decompose this gap and identify inter-laboratory measurement variance as the dominant component, anchored by a within-target cross-laboratory cascade bounding the inter-laboratory contribution at 0.124 AUROC, well above the 0.05 contribution from binarisation-threshold choice. Across eight published architectures and ESM-2 protein language models up to 3B parameters, LOTO AUROC plateaus near 0.67, with a comparable plateau under SMILES-level deduplication; a 21-dimensional 2000-trial hyperparameter optimisation cannot break this ceiling, and the rank-1 single-seed configuration regresses by 0.161 AUROC under multi-seed validation, matching a closed-form selection-bias prediction (Bailey and Lopez de Prado, 2014). Few-shot k=5 stratified per-target retraining combined with ADMET features lifts 65-target LOTO AUROC from 0.668 to 0.7050, and post-hoc Platt scaling recovers raw output to within the 0.05 well-calibrated threshold. We release PROTAC-Bench (10,748 measurements, 173 targets, 65 LOTO folds), the variance-decomposition framework, the per-target calibration protocol, and the evaluation code.
Authors: Muhammad Haris Khan
Abstract: Diffusion models generate samples by iteratively denoising a Gaussian prior, traversing a sequence of noise levels that, in every published sampler, decreases monotonically. Six years of intensive work has refined nearly every aspect of this recipe, including the corruption operator, the training objective, the schedule shape, the architecture, and the ODE solver. Yet the assumption of monotonicity itself has never been systematically tested. Here we ask whether monotonic sampling is load-bearing or merely conventional. We design four families of structured nonmonotonic schedules and apply them to three architecturally distinct generative models, DDPM, EDM, and Flow Matching, across NFE budgets ranging from 10 to 200 function evaluations, plus a 42-cell hyperparameter ablation, on CIFAR-10. Across all 90 tested configurations, no tested nonmonotonic schedule improves on the monotonic baseline. The magnitude of the penalty, however, spans nearly three orders of magnitude: persistent and substantial in DDPM, intermediate in Flow Matching, and indistinguishable from zero in EDM. We show that this variation is not noise but a structural property of each trained denoiser, and we formalize it as the Schedule Sensitivity Coefficient, a cheap, architecture-agnostic diagnostic that provides evidence of non-convergence to the Bayes-optimal denoiser at the critical noise level. Our findings justify the field's tacit reliance on monotonic schedules and supply a new probe of diffusion model quality complementary to sample-quality metrics such as Frechet Inception Distance.
Authors: Jiazheng Zhang, Ziche Fu, Junrui Shen, Yunbin Zhao, Yunke Zhang, Zhiheng Xi, Long Ma, Chenxin An, Zhihao Zhang, Shichun Liu, Dingwei Zhu, Shihan Dou, Shaofan Liu, Han Li, Wiggin Zhou, Aiden Adams, Tao Gui, Fei Huang, Qi Zhang, Xuanjing Huang
Abstract: Policy entropy has emerged as a fundamental measure for understanding and controlling exploration in reinforcement learning with verifiable rewards (RLVR) for LLMs. However, existing entropy-aware methods mainly regulate entropy through global objectives, while the token-level mechanism by which sampled policy updates reshape policy entropy remains underexplored. In this work, we develop a theoretical framework of entropy mechanics in RLVR. Our analysis yields a first-order approximation of the entropy change, giving rise to entropy polarity, a signed token-level quantity that predicts how much a sampled update expands or contracts entropy. This analysis further reveals a structural asymmetry: reinforcing frequent high-probability tokens triggers contraction tendencies, whereas expansive tendencies typically require lower-probability samples or stronger distributional correction. Empirically, we show that entropy polarity reliably predicts entropy changes, and that positive and negative polarity branches play complementary roles in preserving exploration while strengthening exploitation. Building on these insights, we propose Polarity-Aware Policy Optimization (PAPO), which preserves both polarity branches and implements entropy control through advantage reweighting. With the empirical entropy trajectory as an online phase signal, PAPO adaptively reallocates optimization pressure between entropy-expanding and entropy-contracting updates. Experiments on mathematical reasoning and agentic benchmarks show that PAPO consistently outperforms competitive baselines, while delivering superior training efficiency and substantial reward improvements.
Authors: Wenyong Zhou, Yuannuo Feng, Yizhe Chen, Taiqiang Wu, Wendong Xu, Wenbo Qi, Zhengwu Liu, Wang Kang, Ngai Wong
Abstract: Large language models (LLMs) with mixture-of-experts (MoE) architectures achieve remarkable scalability by sparsely activating a subset of experts per token, yet their frequent expert switching creates memory bandwidth bottlenecks that compute-in-memory (CIM) architectures are well-suited to mitigate. However, analog CIM systems suffer from inherent hardware imperfections that perturb stored weights, and its negative impact on MoE-based LLMs in noisy CIM environments remains unexplored. In this work, we present the first systematic investigation of MoE-based LLMs under noise model calibrated with real chip measurements, revealing that hardware noise critically disrupts expert load balance and renders clean-trained routing decisions consistently suboptimal. Based on these findings, we propose ROMER, a post-training calibration framework that (1) replaces underactivated experts with high-frequency ones to restore load balance, and (2) recalibrates router logits via percentile-based normalization to stabilize routing under noise. Extensive experiments across multiple benchmarks demonstrate that ROMER achieves up to 58.6\%, 58.8\%, and 59.8\% reduction in perplexity under real-chip noise conditions for DeepSeek-MoE, Qwen-MoE, and OLMoE, respectively, establishing its effectiveness and generalizability across diverse MoE architectures.
Authors: Patryk Krukowski, Jacek Tabor, Przemys{\l}aw Spurek, Marek \'Smieja, {\L}ukasz Struski
Abstract: Data-free continual learning (DFCIL) relies on model inversion to synthesize pseudo-samples and mitigate catastrophic forgetting. However, existing inversion methods are fundamentally limited by a simplifying assumption: they model feature distributions using diagonal covariance, effectively ignoring correlations that define the geometry of learned representations. As a result, synthesized samples often lack fidelity, limiting knowledge retention. In this work, we show that modeling feature dependencies is a key ingredient for effective DFCIL. We introduce REMIX, a structured covariance modeling framework that enables scalable full-covariance modeling without the prohibitive cost of dense matrix inversion and log-determinant computation. By leveraging a Laplace kernel parameterization, REMIX captures structured feature dependencies using memory that scales linearly with the feature dimensionality, while requiring only an additional logarithmic factor in computation. Modeling these correlations produces more coherent synthetic samples and consistently improves performance across standard DFCIL benchmarks. Our results demonstrate that moving beyond diagonal assumptions is essential for effective and scalable data-free continual learning. Our code is available at https://github. com/pkrukowski1/REMIX-Model-Inversion-via-Laplace-Kernel.
URLs: https://github.
Authors: Satwat Bashir, Tasos Dagiuklas, Muddesar Iqbal
Abstract: Hierarchical federated learning (HFL) leverages edge servers for partial aggregation in edge computing. Yet existing FL methods lack mechanisms for jointly optimizing cluster assignment and client selection under data heterogeneity. This paper proposes Fed-BAC, which integrates additive cluster personalization with a two-level bandit framework: contextual bandits at the cloud learn server-to-cluster assignments, while Thompson Sampling at each edge server identifies high-contributing clients. The additive decomposition enables the sharing of knowledge between groups through a globally aggregated network, while cluster-specific networks capture distribution variations. Across three classification benchmarks (CIFAR-10, SVHN, Fashion-MNIST) under moderate ($\alpha = 0.5$) and severe ($\alpha = 0.1$) Dirichlet non-IID partitioning, Fed-BAC achieves distributed accuracy gains of up to +35.5pp over HierFAVG and +8.4pp over IFCA, while requiring only 80% client participation, converging 1.5 to 4.8$\times$ faster depending on dataset and accuracy target, and improving cross-server fairness. These gains are further validated at 5$\times$ deployment scale on CIFAR-10. The advantage of Fed-BAC increases with heterogeneity severity, confirming that additive cluster personalization becomes increasingly valuable as data distributions diverge.
Authors: Xin Ma, Wei Chen, Qi Liu, Derong Xu, Zhi Zheng, Tong Xu, Enhong Chen
Abstract: Lifelong Model Editing aims to continuously update evolving facts in Large Language Models while preserving unrelated knowledge and general capabilities, yet it remains plagued by catastrophic forgetting and model collapse. Empirically, we find that recent editors resilient over long horizons share the same core strategy: Lifelong Normalization (LN), which normalizes value gradients using running statistics. Removing LN causes immediate performance collapse, and we observe a counter-intuitive positive cumulative effect where early edits can promote the success of future edits. Yet the mechanism of LN remains a "black box", leaving its precise role in lifelong stability poorly understood. In this work, we provide the first theoretical account of LN in the lifelong regime. Our analysis reveals a self-reinforcing stability loop and proves that, when combined with ridge-regularized regression, LN yields parameter updates with asymptotic orthogonality and bounded norms, directly mitigating forgetting and systemic collapse. Based on these insights, we derive StableEdit, which strengthens this stability loop via an explicit warm-up stage and full whitening, improving long-horizon stability at minimal overhead. Extensive experiments validate our theory and demonstrate competitive performance. Our code is available at https://github.com/MINE-USTC/StableEdit.
Authors: Alexander Yukhimchuk, Mladen Kolar, Martin Tak\'a\v{c}, Sayantan Choudhury
Abstract: Gradient clipping is a standard safeguard for training neural networks under noisy, heavy-tailed stochastic gradients; yet, most clipping rules treat all parameters as vectors and ignore the matrix structure of modern architectures. We show empirically that data outliers often amplify only a small number of leading singular values in layer-wise gradient matrices, while the rest of the spectrum remains largely unchanged. Motivated by this phenomenon, we propose spectral clipping, which stabilizes training by clamping singular values that exceed a threshold while preserving the singular directions. This framework generalizes classical gradient norm clipping and can be easily integrated into existing optimizers. We provide a convergence analysis for non-convex optimization with spectrally clipped SGD, yielding the optimal $\mathcal{O}\left(K^{\frac{2 - 2\alpha}{3\alpha - 2}}\right)$ rate for heavy-tailed noise. To minimize hyperparameter tuning, we introduce layer-wise adaptive thresholds based on moving averages or sliding-window quantiles of the top singular values. Finally, we develop efficient implementations that clip only the top $r$ singular values via randomized truncated SVD, avoiding full decompositions for large layers. We demonstrate competitive performance across synthetic heavy-tailed settings and neural network training tasks.
Authors: Moritz G\"ogl, Hanwen Xing, Christopher Yau
Abstract: Self-supervised learning (SSL) is often deployed under changing information, such as shorter histories, missing features, or partially observed images. In these settings, predictions from coarse and refined views should be coherent: before refinement, the coarse-view prediction should match the average prediction expected after refinement. Martingales formalize this coherence principle, but standard SSL objectives do not enforce it. Unlike invariance objectives that pull views together, martingale consistency constrains only the expected refined prediction, allowing predictions to update as information is revealed while preventing systematic drift. We introduce a martingale-consistent SSL framework that closes this gap, with practical prediction- and latent-space variants and an unbiased two-sample Monte Carlo estimator based on stochastic refinement. We evaluate the approach on synthetic and real time-series, tabular, and image benchmarks under partial-observation regimes, in both semi-self-supervised and fully label-free settings. Across these experiments, our framework improves robustness and calibration under partial observation, yielding more stable representations as information is revealed.
Authors: Sijia Li, Yuchen Huang, Zifan Liu, Yanping Li, Jingjing Fu, Li Zhao, Jiang Bian, Ling Zhang, Jun Zhang, Rui Wang
Abstract: Reinforcement learning has become a widely used post-training approach for LLM agents, where training commonly relies on outcome-level rewards that provide only coarse supervision. While finer-grained credit assignment is promising for effective policy updates, obtaining reliable local credit and assigning it to the right parts of the long-horizon trajectory remains an open challenge. In this paper, we propose Granularity-adaptivE Advantage Reweighting (GEAR), an adaptive-granularity credit assignment framework that reshapes the trajectory-level GRPO advantage using token- and segment-level signals derived from self-distillation. GEAR compares an on-policy student with a ground-truth-conditioned teacher to obtain a reference-guided divergence signal for identifying adaptive segment boundaries and modulating local advantage weights. This divergence often spikes at the onset of a semantic deviation, while later tokens in the same autoregressive continuation may return to low divergence. GEAR therefore treats such spikes as anchors for adaptive credit regions: where the student remains aligned with the teacher, token-level resolution is preserved; where it departs, GEAR groups the corresponding continuation into an adaptive segment and uses the divergence at the departure point to modulate the segment' s advantage. Experiments across eight mathematical reasoning and agentic tool-use benchmarks with Qwen3 4B and 8B models show that GEAR consistently outperforms standard GRPO, self-distillation-only baselines, and token- or turn-level credit-assignment methods. The gains are especially strong on benchmarks with lower GRPO baseline accuracy, reaching up to around 20\% over GRPO, suggesting that the proposed adaptive reweighting scheme is especially useful in more challenging long-horizon settings.
Authors: Julien Brandoit, Arthur Fyon, Damien Ernst, Guillaume Drion
Abstract: Sequence learning is dominated by Transformers and parallelizable recurrent neural networks (RNNs) such as state-space models, yet learning long-term dependencies remains challenging, and state-of-the-art designs trade power consumption for performance. The Bistable Memory Recurrent Unit (BMRU) was introduced to enable hardware-software co-design of ultra-low power RNNs: quantized states with hysteresis provide persistent memory while mapping directly to analog primitives. However, BMRU performance lags behind parallelizable RNNs on complex sequential tasks. In this paper, we identify gradient blocking during state updates as a key limitation and propose a cumulative update formulation that restores gradient flow while preserving persistent memory, creating skip-connections through time. This leads to the Cumulative Memory Recurrent Unit (CMRU) and its relaxed variant, the $\alpha$CMRU. Experiments show that the cumulative formulation dramatically improves convergence stability and reduces initialization sensitivity. The CMRU and $\alpha$CMRU match or outperform Linear Recurrent Units (LRUs) and minimal Gated Recurrent Units (minGRUs) across diverse benchmarks at small model sizes, with particular advantages on tasks requiring discrete long-range retention, while the CMRU retains quantized states, persistent memory, and noise-resilient dynamics essential for analog implementation.
Authors: Amr Abourayya, Jens Kleesiek, Michael Kamp
Abstract: Federated fine-tuning of large language models is commonly formulated as a parameter aggregation problem. However, even parameter-efficient methods require transmitting large collections of trainable weights, assume aligned architectures, and rely on white-box access to model parameters. As model sizes continue to grow and deployments become increasingly heterogeneous, these assumptions become progressively misaligned with practical constraints. We consider an alternative formulation in which collaboration is mediated through model behavior rather than parameters. Clients fine-tune local models on private data and exchange generated outputs on a shared, public prompt set. The server maps these outputs into a semantic representation space, forms a per-prompt semantic consensus, and returns pseudo-labels for further local fine-tuning. This formulation fundamentally changes the communication scaling of federated LLM fine-tuning. The amount of information exchanged depends only on the public prompt budget and the size of the communicated behaviors, independent of model size. As a consequence, the protocol naturally accommodates heterogeneous architectures and applies directly to open-ended text generation. We present a theoretical analysis and empirical results demonstrating that this approach can match strong federated fine-tuning baselines while substantially reducing communication by orders of magnitude (e.g., analytically by a factor of $1006$ for Llama3.1-405B), as well as reductions in runtime and energy consumption. These results suggest that, for generative foundation models, behavior-level consensus provides a more appropriate abstraction for federated adaptation than parameter aggregation.
Authors: Josef Kittler, Sara Atito, Muhammad Awais
Abstract: Self-supervised learning (SSL) is recognized as an essential tool for building foundation models for Artificial Intelligence applications. The advances in SSL have been made thanks to vigorous arguments about the principles of SSL and through extensive empirical research. The aim of this paper is to contribute to the development of the underpinning theory of SSL, focusing on the deep clustering approach. By analogy to supervised learning, we formulate SSL as K-L divergence optimization. The mode collapse is prevented by imposing an optimisation constraint on the teacher distribution. This leads to normalization using inverse cluster priors. We show that using Jensen inequality this normalization simplifies to the popular batch centering procedure. Distillation and centering are common {heuristics-based} practices in SSL, {but our work underpins them theoretically.} The theoretical model developed not only supports specific existing successful SSL methods, but also suggests directions for future investigations.
Authors: Lanxin Zhao, Bamdev Mishra, Pratik Jawanpuria, Lequan Lin, Dai Shi, Junbin Gao, Andi Han
Abstract: Orthogonal parameter-efficient fine-tuning (PEFT) adapts pretrained weights through structure-preserving multiplicative transformations, but existing methods often conflate two distinct design choices: the subspace in which adaptation occurs and the transformation applied within that subspace. This paper introduces LOFT, a low-rank orthogonal fine-tuning framework that explicitly separates these two components. By viewing orthogonal adaptation as a multiplicative subspace rotation, LOFT provides a unified formulation that recovers representative orthogonal PEFT methods, including coordinate-, butterfly-, Householder-, and principal-subspace-based variants. More importantly, this perspective exposes support selection as a central design axis rather than a byproduct of a particular parameterization. We develop a first-order analysis showing that useful adaptation supports should be informed by the downstream training signal, motivating practical task-aware support selection strategies. Across language understanding, visual transfer, mathematical reasoning, and multilingual out-of-distribution adaptation, LOFT recovers principal-subspace orthogonal adaptation while gradient-informed supports improve the efficiency-performance trade-off under matched parameter, memory, and compute budgets. These results suggest that principled support selection is an important direction for improving orthogonal PEFT.
Authors: Yue Deng, Zirui Wang, Yin Zhang
Abstract: TD($\lambda$) in value-based MARL algorithms or the Temporal Difference critic learning in Actor-Critic-based (AC-based) algorithms synergistically integrate elements from Monte-Carlo simulation and Q function bootstrapping via dynamic programming, which effectively addresses the inherent bias-variance trade-off in value estimation. Based on that, some recent works link the adaptive $\lambda$ value to the policy distribution in the single-agent reinforcement learning area. However, because of the large joint action space from multiple number of agents, and the limited transition data in Multi-agent Reinforcement Learning, the policy distribution is infeasible to be calculated statistically. To solve the policy distribution calculation problem in MARL settings, we employ a parametric likelihood-free density ratio estimator with two replay buffers instead of calculating statistically. The two replay buffers of different sizes store the historical trajectories that represent the data distribution of the past and current policies correspondingly. Based on the estimator, we assign Adaptive TD($\lambda$), \textbf{ATD($\lambda$)}, values to state-action pairs based on their likelihood under the stationary distribution of the current policy. We apply the proposed method on two competitive baseline methods, QMIX for value-based algorithms, and MAPPO for AC-based algorithms, over SMAC benchmarks and Gfootball academy scenarios, and demonstrate consistently competitive or superior performance compared to other baseline approaches with static $\lambda$ values.
Authors: Chenyang Tian, Bharath K. Sriperumbudur, Arthur Gretton, Zonghao Chen
Abstract: We propose Sobolev-regularized Maximum Mean Discrepancy (SrMMD) gradient flow, a regularized variant of maximum mean discrepancy (MMD) gradient flow based on a gradient penalty on the witness function. The proposed regularization mitigates the non-convexity of the MMD objective and yields provable \emph{global} convergence guarantees in MMD in both continuous and discrete time. A more surprising appeal is that our convergence analysis does not rely on isoperimetric assumptions on the target distribution. Instead, it is based on a regularity condition on the difference between kernel mean embeddings. A key highlight of the proposed flow is that it is applicable in both sampling (from an unnormalized target distribution) -- using Stein kernels -- and generative modeling settings, unlike previous works, where a gradient flow is suitable for only generative modeling or sampling but not both. The effectiveness of the proposed flow is empirically verified on a broad range of tasks in both generative modelling and sampling.
Authors: Rachael Hwee Ling Sim, Jue Fan, Xiao Tian, Xinyi Xu, Patrick Jaillet, Bryan Kian Hsiang Low
Abstract: Collaborative machine learning involves training high-quality models using datasets from a number of sources. To incentivize sources to share data, existing data valuation methods fairly reward each source based on its data submitted as is. However, as these methods do not verify nor incentivize data truthfulness, the sources can manipulate their data (e.g., by submitting duplicated or noisy data) to artificially increase their valuations and rewards or prevent others from benefiting. This paper presents the first mechanism that provably ensures (F) collaborative fairness and incentivizes (T) truthfulness at equilibrium for Bayesian models. Our mechanism combines semivalues (e.g., Shapley value), which ensure fairness, and a truthful data valuation function (DVF) based on a validation set that is unknown to the sources. As semivalues are influenced by others' data, we introduce an additional condition to prove that a source can maximize its expected data values in coalitions and semivalues by submitting a dataset that captures its true knowledge. Additionally, we discuss the implications and suitable relaxations of (F) and (T) when the mediator has a limited budget for rewards or lacks a validation set. Our theoretical findings are validated on synthetic and real-world datasets.
Authors: Igor Strozzi
Abstract: We measure procedural-skill SFT contribution across three Qwen3.5 dense scales (0.8B, 2B, 4B) on a 200-task / 40-skill holdout, with Claude Haiku 4.5 as a frontier reference. The corpus is 353 rows of (task + procedural-skill block, Opus chain-of-thought, judge-pass) demonstrations. \textbf{Main finding.} Under matched-path LLM-only scoring, the SFT-attributable procedural-$\Delta$ lift is roughly uniform across sizes: $+0.070$ / $+0.040$ / $+0.075$ at 0.8B / 2B / 4B. Variation in post-SFT $\Delta$ ($-0.005$, $+0.100$, $+0.065$) is dominated by a W-shaped pre-SFT base trajectory ($-0.075$, $+0.060$, $-0.010$, Haiku-4-5 at $+0.030$): the 5-step procedure hurts 0.8B and 4B, helps 2B, and helps frontier Haiku modestly. SFT works hardest in absolute terms where the base struggles with the procedure -- a regime-asymmetric pattern with a falsifiable prediction at 8B/14B. \textbf{Methodology.} (i) A bench format-compliance artifact: 83.5\% of the holdout uses a deterministic \texttt{ANSWER}-line extractor that under-counts free-form conclusions; an LLM-only re-judge reveals it was systematically biased against \CU. (ii) A negative-iteration sequence at 0.8B: five recipe variants cluster post-SFT \CU{} pass-rate within a 2\,pp band, constraining the absolute-pass-rate ceiling to base capacity rather than recipe. \textbf{Cross-family validation.} GPT-5.4 via OpenRouter on all 7 configurations (2800 paired episodes) agrees on the direction of every per-student finding: Cohen's $\kappa \geq 0.754$, agreement $\geq 93.25\%$. Earlier ``format-only at 0.8B'' and ``shrinking SFT at 4B'' framings were path-mismatch artifacts; this paper supersedes both (Appendix~\ref{sec:appendix-path}). Single-seed; threats in \S\ref{sec:threats}.
Authors: Jincheng Mei, Ian Osband
Abstract: Softmax policy gradient converges at $O(1/t)$, but its transient behavior near sub-optimal corners of the simplex can be exponentially slow. The bottleneck is self-trapping: negative-advantage actions reinforce the corner policy and can initially push the optimal action backward. We study \emph{Delightful Policy Gradient} (DG), which gates each policy-gradient term by the product of advantage and action surprisal. For $K$-armed bandits, we prove that the zero-temperature limit of DG removes this corner-trapping mechanism on a quantitative sector near any sub-optimal corner, yielding a first-exit escape bound logarithmic in the initial probability ratio. At every fixed temperature, the same local mechanism persists because harmful actions are polynomially suppressed as they become rare. A key structural insight is that every action better than the corner action is an \emph{ally}: its contribution to escape is non-negative. Combining corner instability with a monotonic value improvement identity, we prove that DG converges globally to the optimal policy in both bandits and tabular MDPs at an asymptotic $O(1/t)$ rate. We also show, via an exact counterexample, that this tabular mechanism can fail under shared function approximation. In MNIST contextual bandits with a shared-parameter neural network, DG nevertheless recovers from bad initializations faster than standard policy gradient, suggesting that the counterexample marks a boundary of the theory rather than a practical prohibition.
Authors: Gaspard Oliviers, Elene Lominadze, Rafal Bogacz
Abstract: Predictive Coding (PC) is an influential account of cortical learning. Much of recent work has focused on comparing PC to Backpropagation (BP) to find whether PC offers any advantages. Small scale experiments show that PC enables learning that is more sample efficient and effective in many contexts, though a thorough theoretical understanding of the phenomena remains elusive. To address this, we quantify the efficiency of learning in BP and PC through a metric called ``target alignment'', which measures how closely the change in the output of the network is aligned to the output prediction error. We then derive and empirically validate analytical expressions for target alignment in Deep Linear Networks. We show that learning in PC is more efficient than BP, which is especially pronounced in deep, narrow and pre-trained networks. We also derive exact conditions for guaranteed optimal target alignment in PC and validate our findings through experiments. We study full training trajectories of linear and non-linear models, and find the predicted benefits of PC persist in practice even when some assumptions are violated. Overall, this work provides a mechanistic understanding of the higher learning efficiency observed for PC over BP in previous works, and can guide how PC should be parametrised to learn most effectively.
Authors: Zekai Chen, Xun Wu, Xunkai Li, Yihan Sun, Rong-Hua Li, Guoren Wang
Abstract: Federated graph learning (FGL) enables collaborative training on graph data across multiple clients. As graph data increasingly contain multimodal node attributes such as text and images, multimodal federated graph learning (MM-FGL) has become an important yet substantially harder setting. The key challenge is that clients from different modality domains may not share a common semantic space: even for the same concept, their local encoders can produce inconsistent representations before collaboration begins. This makes direct parameter coordination unreliable and further causes two downstream problems: forcing heterogeneous client representations into a naively shared semantic space may create false semantic agreement, and graph message passing may amplify residual inconsistency across neighborhoods. To address this issue, we propose \textbf{STAGE}, a protocol-first framework for MM-FGL. Instead of relying on direct parameter averaging, STAGE builds a shared semantic space that first translates heterogeneous multimodal features into comparable representations and then regulates how these representations propagate over local graph structures. In this way, STAGE not only improves cross-client semantic calibration, but also reduces the risk of inconsistency amplification during graph learning. Extensive experiments on 8 multimodal-attributed graphs across 5 graph-centric and modality-centric tasks show that STAGE consistently achieves state-of-the-art performance while reducing per-round communication payload.
Authors: Lars Uebbing, Harald L. Joakimsen, Siyan Chen, Georgios Leontidis, Kristoffer K. Wickstr{\o}m, Michael C. Kampffmeyer, S\'ebastien Lef\`evre, Arnt-B{\o}rre Salberg, Robert Jenssen
Abstract: Most dimensionality reduction methods treat data as discrete point clouds, ignoring the continuous domain structure inherent to many real-world processes. To bridge this gap, we introduce Neural Operator Function Embedding (NOFE), a domain-aware framework for continuous dimensionality reduction. NOFE learns function-to-function mappings via a Graph Kernel Operator, enabling mesh-free evaluation at arbitrary query locations independent of input discretization. We establish NOFE as approximation of sheaf-to-sheaf mappings, generalizing Sheaf Neural Networks to continuous domains. We evaluate NOFE across different datasets, comparing it against PCA, t-SNE, and UMAP. Our results demonstrate that NOFE significantly outperforms baselines in local structure preservation, achieving a local Stress of 0.111 compared to 0.398 for PCA, 0.773 for t-SNE, and 0.791 for UMAP for the ERA5 climate reanalysis dataset. NOFE also exhibits robust sampling independence, reducing the Patch Stitching Error by up to $20.0\times$ relative to UMAP (59.0 vs. 267.6 under regional normalization) and ensuring consistency across disjoint domain patches. While maintaining competitive global structure preservation (Stress-1: 0.379 vs. PCA's 0.268), NOFE resolves fine-grained structures and produces smooth, consistent embeddings that generalize across varying sample densities, addressing key limitations of discrete reduction methods.
Authors: Xu Chu, Guanyu Wang, Zhijie Tan, Xinrong Chen, Ziyu Li, Tong Mo, Weiping Li
Abstract: Large Language Models (LLMs) suffer from order bias, where their performance is affected by the arrangement order of input elements. This unfairness limits the model's applications in scenarios such as in-context learning and Retrieval-Augmented Generation (RAG). Recent studies attempt to obtain optimal or suboptimal arrangements based on statistical results or using dataset-based search, but these methods increase inference overhead while leaving the model's inherent order bias unresolved. Other studies mitigate order sensitivity through supervised fine-tuning using augmented training sets with multiple order variants, but often at the cost of accuracy, trapping the model in consistent yet incorrect hallucinations. In this paper, we propose \textbf{D}ual \textbf{G}roup \textbf{A}dvantage \textbf{O}ptimization (\textbf{DGAO}), which aims to improve model accuracy and order stability simultaneously. DGAO calculates and balances intra-group relative accuracy advantage and inter-group relative stability advantage, rewarding the policy model for generating order-stable and correct outputs while penalizing order-sensitive or incorrect responses. This marks the first time reinforcement learning has been used to mitigate LLMs' order sensitivity. We also propose two new metrics, Consistency Rate and Overconfidence Rate, to reveal the pseudo-stability of previous methods and guide more comprehensive evaluation. Extensive experiments demonstrate that DGAO achieves superior order fairness while improving performance on RAG, mathematical reasoning, and classification tasks. Our code is available at: https://github.com/Hyalinesky/DGAO.
Authors: Jingduo Pan, Taoran Wu, Yiling Xue, Bai Xue
Abstract: We study stochastic minimum-cost reach-avoid reinforcement learning, where an agent must satisfy a reach-avoid specification with probability at least $p$ while minimizing expected cumulative costs in stochastic environments. Existing safe and constrained reinforcement learning methods typically fail to jointly enforce probabilistic reach-avoid constraints and optimize cost in the learning setting in stochastic environments. To address this challenge, we introduce reach-avoid probability certificates (RAPCs), which identify states from which stochastic reach-avoid constraints are satisfiable. Building on RAPCs, we develop a contraction-based Bellman formulation that serves as a principled surrogate for integrating reach-avoid considerations into reinforcement learning, enabling cost optimization under probabilistic constraints. We establish almost sure convergence of the proposed algorithms to locally optimal policies with respect to the resulting objective. Experiments in the MuJoCo simulator demonstrate improved cost performance and consistently higher reach-avoid satisfaction rates.
Authors: Tobias Fuchs, Florian Kalinke, Nadja Klein
Abstract: Learning generative models in settings where the source and target distributions are only specified through unpaired samples is gaining in importance. Here, one frequently-used model are Schr\"odinger bridges (SB), which represent the most likely evolution between both endpoint distributions. To accelerate training, simulation-free SBs avoid the path simulation of the original SB models. However, learning simulation-free SBs requires paired data; a coupling of the source and target samples is obtained as the solution of the entropic optimal transport (OT) problem. As obtaining the optimal global coupling is infeasible in many practical cases, the entropic OT problem is iteratively solved on minibatches instead. Still, the repeated cost remains substantial and the locality can distort the global transport geometry. We propose quantized diffusion Schr\"odinger bridges (QDSB), which compute the endpoint coupling on anchor-quantized endpoint distributions and lift the resulting plan back to original data points through cell-wise sampling. We show that the regularized optimal coupling is stable w.r.t. anchor quantization, with an error controlled by the quality of the anchor approximation. In real-world experiments, QDSB matches the sample quality of existing baselines, requiring substantially less time. Code and data are available at github.com/mathefuchs/qdsb.
Authors: Ziyad Sheebaelhamd, Luca Viano, Volkan Cevher, Claire Vernade
Abstract: This work investigates multi-objective imitation learning: the problem of recovering policies that lie on the Pareto front given demonstrations from multiple Pareto-optimal experts in a Multi-Objective Markov Decision Process (MOMDP). Standard imitation approaches are ill-equipped for this regime, as naively aggregating conflicting expert trajectories can result in dominated policies. To address this, we introduce Multi-Output Augmented Behavioral Cloning (MA-BC), an algorithm that systematically partitions divergent expert data while pooling state-action pairs where no behavior conflict is observed. Theoretically, we prove that MA-BC converges to Pareto-optimal policies at a faster statistical rate than any learner that considers each expert dataset independently. Furthermore, we establish a novel lower bound for multi-objective imitation learning, demonstrating that MA-BC is minimax optimal. Finally, we empirically validate our algorithm across diverse discrete environments and, guided by our theoretical insights, extend and evaluate MA-BC on a continuous Linear Quadratic Regulator (LQR) control task.
Authors: Changhyun Kim, Seunghwan An, Jong-June Jeon
Abstract: We propose a subgraph importance estimation method for pretrained Graph Neural Networks (GNNs) on graph-level tasks, formulated as a linear Group Lasso regression problem in the embedding space. Our method effectively leverages prior domain knowledge of graph substructures, while remaining independent of the specific form of the output layer or readout function used in the GNN architecture, and it does not require access to ground-truth target labels. Experiments on real-world graph datasets demonstrate that our method consistently outperforms existing baselines in subgraph importance estimation. Furthermore, we extend our method to identify important nodes within the graph.
Authors: Ayb\"uke Ulusarslan, Niki Kilbertus, Nora Schneider
Abstract: Learning governing dynamics from data is a common goal across the sciences, yet it is only well-posed when the underlying mechanisms are identifiable. In practice, many data-driven methods implicitly assume identifiability; when this assumption fails, estimated models can yield spurious predictions and invalid mechanistic conclusions. Classical identifiability guarantees for controlled linear time-invariant (LTI) systems provide sufficient conditions -- controllability and persistent excitation -- but leave open whether identifiability holds when these conditions fail, and which parts of the system remain identifiable without full identifiability. We show that the experimental setup, i.e., the realized initial state and control input, dictates a fundamental limit on the information recoverable from the observed trajectory. We develop a geometric characterization of this limit and derive a closed-form description of all systems consistent with the experimental setup. Crucially, we prove that even when the full system is not identifiable, the restricted dynamics on the subspace reachable by the experiment remain uniquely determined.
Authors: Aleksandr Bredikhin, Philippe Lalanda, German Vega
Abstract: Human Activity Recognition (HAR) is a core task in pervasive computing systems, where models must operate under strict computational constraints while remaining robust to heterogeneous and evolving deployment conditions. Recent advances based on Transformer architectures have significantly improved recognition performance, but typically rely on task-specific models trained from scratch, resulting in high training cost, large data requirements, and limited adaptability to domain shifts. In this paper, we propose a paradigm shift that reuses large pretrained language models (LLMs) as generic temporal backbones for sensor-based HAR, instead of designing domain-specific Transformers. To bridge the modality gap between inertial time series and language models, we introduce a structured convolutional projection that maps multivariate accelerometer and gyroscope signals into the latent space of the LLM. The pretrained backbone is kept frozen and adapted using parameter-efficient Low-Rank Adaptation (LoRA), drastically reducing the number of trainable parameters and the overall training cost. Through extensive experiments on standard HAR benchmarks, we show that this approach enables rapid convergence, strong data efficiency, and robust cross-dataset transfer, particularly in low-data and few-shot settings. At the same time, our results highlight the complementary roles of convolutional frontends and LLMs, where local invariances are handled at the signal level while long-range temporal dependencies are captured by the pretrained backbone. Overall, this work demonstrates that LLMs can serve as a practical, frugal, and scalable foundation for adaptive HAR systems, opening new directions for reusing foundation models beyond their original language domain.
Authors: Takashi Furuya, Ryo Ozawa, Jenn-Nan Wang
Abstract: Neural operators provide a framework for learning solution operators of partial differential equations (PDEs), enabling efficient surrogate modeling for complex systems. While universal approximation results are now well understood, approximation analysis specific to nonlinear reaction-diffusion systems remains limited. In this paper, we study neural operators applied to the solution mapping from initial conditions to time-dependent solutions of a generalized Gierer-Meinhardt reaction-diffusion system, a prototypical model of nonlinear pattern formation. Our main results establish explicit approximation error bounds in terms of network depth, width, and spectral rank by exploiting the Laplacian spectral representation of the Green's function underlying the PDE. We show that the required parameter complexity grows at most polynomially with respect to the target accuracy, demonstrating that Laplacian eigenfunction-based neural operator architectures alleviate the curse of parametric complexity encountered in generic operator learning. Numerical experiments on the Gierer-Meinhardt system support the theoretical findings.
Authors: Camillo Maria Caruso, Valerio Guarrasi, Paolo Soda
Abstract: Multimodal deep learning has shown strong potential in medical applications by integrating heterogeneous data sources such as medical images and structured clinical variables. However, most existing approaches implicitly assume complete modality availability, an assumption that rarely holds in real-world clinical settings where entire modalities and individual features are frequently missing. In this work, we propose a multimodal transformer framework for joint vision-tabular learning explicitly designed to operate under pervasive modality missingness, without relying on imputation or heuristic model switching. The architecture integrates three components: a vision, a tabular, and a multimodal fusion encoder. Unimodal representations are weighted through learnable modality tokens and fused via intermediate fusion with masked self-attention, which excludes missing tokens and modalities from information aggregation and gradient propagation. To further enhance resilience, we introduce a modality-dropout regularization strategy that stochastically removes available modalities during training, encouraging the model to exploit complementary information under partial data availability. We evaluate our approach on the MIMIC-CXR dataset paired with structured clinical data from MIMIC-IV for multilabel classification of 14 diagnostic findings with incomplete annotations. Two parallel systematic stress-test protocols progressively increase training and inference missingness in each modality separately, spanning fully multimodal to fully unimodal scenarios. Across all missingness regimes, the proposed method consistently outperforms representative baselines, showing smoother performance degradation and improved robustness. Ablation studies further demonstrate that attention-level masking and intermediate fusion with joint fine-tuning are key to resilient multimodal inference.
Authors: Aaron Spieler, Georg Martius, Anna Levina
Abstract: Cortical neurons are complex, multi-timescale processors wired into recurrent circuits, shaped by long evolutionary pressure under stringent biological constraints. Mainstream machine learning, by contrast, predominantly builds models from extremely simple units, a default inherited from early neural-network theory. We treat this as a normative architectural question. How should one split a fixed parameter budget $P$ between the number of units $N$, per-unit effective complexity $k_e$, and per-unit connectivity $k_c$? What controls the optimal allocation? This calls for a model in which per-unit complexity can be tuned independently of width and connectivity. Accordingly, we introduce the ELM Network, whose recurrent layer is built from Expressive Leaky Memory (ELM) neurons, chosen to mirror functional components of cortical neurons. The architecture allows for individually adjusting $N$, $k_e$, and $k_c$ and trains stably across orders of magnitude in scale. We evaluate the model on two qualitatively different sequence benchmarks: the neuromorphic SHD-Adding task and Enwik8 character-level language modeling. Performance improves monotonically along each of the three axes individually. Under a fixed budget, a clear non-trivial optimum emerges in their tradeoff, and larger budgets favor both more and more complex neurons. A closed-form information-theoretic model captures these tradeoffs and attributes the diminishing returns at two ends to: per-neuron signal-to-noise saturation and across-neuron redundancy. A hyperparameter sweep spanning three orders of magnitude in trainable parameters traces a near-Pareto-frontier scaling law consistent with the framework. This suggests that the simple-unit default in ML is not obviously optimal once this tradeoff surface is probed, and offers a normative lens on cortex's reliance on complex spatio-temporal integrators.
Authors: Alessandro-Umberto Margueritte, Ahmet Zahid Balc{\i}o\u{g}lu, Jesse Krijthe, Dave Zachariah, Fredrik D. Johansson
Abstract: Surrogate endpoints are used in place of long-term outcomes in randomized experiments when observing the real outcome for a large enough cohort is prohibitively expensive or impractical. A short-term surrogate is good if the result of an experiment using the surrogate is predictive of the result of a hypothetical study using the real outcome. Much attention has been paid to formalizing this property in causal terms, but most criteria are unidentifiable and cannot be turned into practical algorithms for learning surrogate endpoints from data. To address this, we study plug-in composite surrogates, functions of post-treatment variables that may be substituted directly for the primary outcome in a randomized experiment. We propose two methods for learning plug-in surrogates that maximize effect predictiveness, and characterize the possibility of finding endpoints that yield unbiased effect estimates in representative scenarios. Finally, in both synthetic experiments with known effects and in data from a real-world experiment, we find that our method, based on directly modeling the surrogate effect, returns plug-in endpoints more predictive of the primary effect than established methods.
Authors: Yuxiang Chen, Dingli Liang, Yihang Chen, Ziqin Gong, Chenyang Le, Zhaokai Wang, Jiachen Zhu, Lingyu Yang, Jianghao Lin, Weinan Zhang, Jun Wang
Abstract: Group Relative Policy Optimisation (GRPO) enhances large language models by estimating advantages across a group of sampled trajectories. However, mapping these trajectory-level advantages to policy updates requires aggregating token-level probabilities within each sequence. Relying on a fixed aggregation mechanism for this step fundamentally limits the algorithm's adaptability. Empirically, we observe a critical trade-off: certain fixed aggregations frequently suffer from training collapse, while others fail to yield satisfactory performance. To resolve this, we propose \textbf{H\"{o}lderPO}, a generalised policy optimisation framework unifying token-level probability aggregation via the H\"{o}lder mean. By explicitly modulating the parameter $p$, our framework provides continuous control over the trade-off between gradient concentration and variance bounds. Theoretically, we prove that a larger $p$ concentrates the gradient to amplify sparse learning signals, whereas a smaller $p$ strictly bounds gradient variance. Because no static configuration can universally resolve this concentration-stability trade-off, we instantiate the framework with a dynamic annealing algorithm that progressively schedules $p$ across the training lifecycle. Extensive evaluations demonstrate superior stability and convergence over existing baselines. Specifically, our approach achieves a state-of-the-art average accuracy of $54.9\%$ across multiple mathematical benchmarks, yielding a substantial $7.2\%$ relative gain over standard GRPO and secures an exceptional $93.8\%$ success rate on ALFWorld.
Authors: Zhong Guan, Yongjian Guo, Haoran Sun, Wen Huang, Shuai Di, Xiong Jun Wu, Likang Wu, Hongke Zhao
Abstract: Asynchronous reinforcement learning improves rollout throughput for large language model agents by decoupling sample generation from policy optimization, but it also introduces a critical failure mode for PPO-style off-policy correction. In heterogeneous training systems, the total importance ratio should ideally be decomposed into two semantically distinct factors: a \emph{training--inference discrepancy term} that aligns inference-side and training-side distributions at the same behavior-policy version, and a \emph{policy-staleness term} that constrains the update from the historical policy to the current policy. We show that practical asynchronous pipelines with delayed updates and partial rollouts often lose the required historical training-side logits, or old logits. This missing-old-logit problem entangles discrepancy repair with staleness correction, breaks the intended semantics of decoupled correction, and makes clipping and masking thresholds interact undesirably. To address this issue, we study both exact and approximate correction routes. We propose three exact old-logit acquisition strategies: snapshot-based version tracking, a dedicated old-logit model, and synchronization via partial rollout interruption, and compare their system trade-offs. From the perspective of approximate correction, we focus on preserving the benefits of decoupled correction through a more appropriate approximate policy when exact old logits cannot be recovered at low cost, without incurring extra system overhead. Following this analysis, we adopt a revised PPO-EWMA method, which achieves significant gains in both training speed and optimization performance. Code at https://github.com/millioniron/ROLL.
Authors: Alvar Haltia, Ville Hyv\"onen, Samuel Kaski
Abstract: Human-in-the-loop Bayesian optimization (HITL BO) methods utilize human expertise to improve the sample-efficiency of BO. Most HITL BO methods assume that a domain expert can quantify their knowledge, for instance by pinpointing query locations or specifying their prior beliefs about the location of the maximum as a probability distribution. However, since human expertise is often tacit and cannot be explicitly quantified, we consider a setting where domain knowledge of an expert is elicited via pairwise comparisons of designs. We interpret the expert's pairwise judgements as noisy evidence about the values of the observable objective function and develop a principled method for combining the information obtained via direct observations and pairwise queries. Specifically, we derive a cost-aware value-of-information acquisition function that balances direct observations against pairwise queries. The proposed method approaches the convex hull of the trajectories of the individual information sources: when pairwise queries are cheap it substantially improves sample-efficiency over observation-only BO, and when pairwise queries are costly or noisy, it recovers the performance of standard BO by relying on direct observations alone.
Authors: Hyeonjin Kim, Hangyeol Jung, Heechan Yun, Sungjun Yun, Dong-Jun Han
Abstract: Unlearning specific concepts in text-to-image diffusion models has become increasingly important for preventing undesirable content generation. Among prior approaches, sparse autoencoder (SAE)-based methods have attracted attention due to their ability to suppress target concepts through lightweight manipulation of latent features, without modifying model parameters. However, SAEs trained with sparse reconstruction objectives do not explicitly enforce concept-wise separation, resulting in shared latent features across concepts. To address this, we propose SAEParate, which organizes latent representations into concept-specific clusters via a concept-aware contrastive objective, enabling more precise concept suppression while reducing unintended interference during unlearning. In addition, we enhance the encoder with a GeLU-based nonlinear transformation to increase its expressive capacity under this separation objective, enabling a more discriminative and disentangled latent space. Experiments on UnlearnCanvas demonstrate state-of-the-art performance, with particularly strong gains in joint style-object unlearning, a challenging setting where existing methods suffer from severe interference between target and non-target concepts.
Authors: Harlin Lee, Ying Yu, Mingxin Li, Ranthony Clark
Abstract: Fused Gromov-Wasserstein (FGW) distances provide a principled framework for comparing objects by jointly aligning structure and node features. However, existing FGW formulations treat all features uniformly, which limits interpretability and robustness in high-dimensional settings where many features may be irrelevant or noisy. We introduce FGW distances with feature selection, which incorporate adaptive feature suppression weights into the FGW objective to selectively downweight or suppress differentiating features during alignment. We propose two approaches: (1) regularized FGW with Lasso and Ridge penalties, and (2) FGW with simplex-constrained weights, including groupwise extensions. We analyze the resulting models and establish their key theoretical properties, including bounds relative to classical FGW and Gromov-Wasserstein distances, and metric behavior. An efficient alternating minimization algorithm is developed. Experiments illustrate how feature suppression enhances interpretability and reveals task-relevant structure, with a special application to computational redistricting.
Authors: Theresa Dahl Frehr, Niels Henrik Pontoppidan, Hiba Nassar, Tommy Sonne Alstr{\o}m
Abstract: Artificial intelligence systems typically rely on large, centrally collected datasets, a premise that does not hold in many real-world domains such as healthcare and public institutions. In these settings, data sharing is often constrained by storage, privacy, or resource limitations. For example, small wearable devices may lack the bandwidth or energy capacity needed to store and transmit high-resolution data, leading to aggregation during data collection and thus a loss of information. As a result, datasets collected from different sources may consist of a mixture of high- and low-resolution samples. Despite the prevalence of this setting, it remains unclear how informative low-resolution data is when models are ultimately evaluated on high-resolution inputs. We provide a theoretical analysis based on the Kullback-Leibler divergence that characterises how the influence of a datapoint changes with resolution, and derive bounds that relate the relative contribution of high- and low-resolution observations to the information lost under downsampling. To support this analysis, we empirically demonstrate, using both a vision transformer and a convolutional neural network, that adding low-resolution data to the training set consistently improves performance when high-resolution data is scarce.
Authors: Daniel Hsu
Abstract: This note shows that no self-attention layer post-processed by a rational function can sign-represent the parity function unless the product of the number of heads and the degree of the post-processing function grows linearly with the input length. Combining this lower bound with rational approximation of ReLU networks yields a margin-dependent extension for self-attention layers post-processed by ReLU networks.
Authors: Samuel Bo\"it\'e, Julie Delon, Kimia Nadjahi
Abstract: Solving optimal transport (OT) on random minibatches is a common surrogate for exact OT in large-scale learning. In flow matching (FM), this surrogate is used to obtain OT-like couplings that can straighten probability paths and reduce numerical integration cost. Yet, the population-level coupling induced by repeated minibatch OT remains only partially understood. We formalize this coupling as the expected batch OT plan $\overline{\pi}_{k}$, obtained by averaging empirical OT plans over independent minibatches of size $k$. We then establish its large-batch consistency and, in the semidiscrete case relevant to generative modeling, derive rates for both the transport-cost bias and the convergence of $\overline{\pi}_{k}$ to the OT plan. For FM, this yields a population coupling whose induced velocity field is regular enough to define a unique flow from the source to the discrete target. We finally quantify how OT batch size interacts with numerical integration in a tractable two-atom model and in synthetic and image experiments.
Authors: Jiabin Lin, Shana Moothedath
Abstract: This paper presents the Constrained Multi-Task Representation Learning (CMTRL) framework for linear bandits. We consider T linear bandit tasks in a d dimensional space, which share a common low-dimensional representation of dimension r, where r is much smaller than the minimum of d and T. Furthermore, tasks are constrained so that only actions meeting specific safety or performance requirements are allowed, referred to as conservative (safe) bandits. We introduce a novel algorithm, Safe-Alternating projected Gradient Descent and minimization (Safe-AltGDmin), to recover a low-rank feature matrix while satisfying the given constraints. Building on this algorithm, we propose a multi-task representation learning framework for conservative linear bandits and establish theoretical guarantees for its regret and sample complexity bounds. We presented experiments and compared the performance of our algorithm with benchmark algorithms.
Authors: Ali Falahati, Elliot Creager, Gautam Kamath, Shubhankar Mohapatra
Abstract: Drifting Models have emerged as a new paradigm for one-step generative modeling, achieving strong image quality without iterative inference. The premise is to replace the iterative denoising process in diffusion models with a single evaluation of a generator. However, this creates a different trade-off: drifting reduces inference cost by moving much of the computation into training. We introduce DriftXpress, an accelerated formulation of drifting models based on projected RKHS fields. DriftXpress approximates the drifting kernel in a low-rank feature space. This preserves the attraction-repulsion structure of the original drifting field while reducing the cost of field evaluation. Across image-generation benchmarks, DriftXpress achieves comparable FID to standard drifting while reducing wall-clock training cost. These results show that the training-inference trade-off of drifting models can be pushed further without giving up their one-step inference advantage.
Authors: Senrong Xu, Yanke Zhou, Yuhao Tan, Zenan Li, Yuan Yao, Taolue Chen, Feng Xu, Xiaoxing Ma
Abstract: Conformal prediction methods provide statistically rigorous marginal coverage guarantees for machine learning models, but such guarantees fail to account for algorithmic biases, thereby undermining fairness and trust. This paper introduces a fair conformal inference framework for classification tasks. The proposed method constructs prediction sets that guarantee conditional coverage on adaptively identified subgroups, which can be implicitly defined through nonlinear feature combinations. By balancing effectiveness and efficiency in producing compact, informative prediction sets and ensuring adaptive equalized coverage across unfairly treated subgroups, our approach paves a practical pathway toward trustworthy machine learning. Extensive experiments on both synthetic and real-world datasets demonstrate the effectiveness of the framework.
Authors: Cao Yuan, Junjun Wang
Abstract: Accurate ultra-short-term wind power forecasting is critical for grid dispatch and reserve management, yet remains challenging due to the non-stationary, condition-dependent nature of wind generation. Meteorological exogenous variables carry substantial predictive information, but the most informative variable combination varies across sites, operating conditions, and prediction horizons. Existing deep learning approaches either treat exogenous inputs as generic auxiliary channels through uniform mixing or soft gating, or rely on fixed preprocessing steps such as PCA, without exploiting the physical structure of meteorological variables. We propose ECTO (Exogenous-Conditioned Temporal Operator), a unified framework that decomposes exogenous variable modeling into two complementary modules. Physically-Grounded Variable Selection (PGVS) performs hierarchical, group-aware sparse selection over exogenous variables using a domain-informed physical prior and sparsemax activations, producing a compact, condition-adaptive exogenous context. Exogenous-Conditioned Regime Refinement (ECRR) routes the forecast through learned regime experts that apply gain--bias calibration and horizon-specific corrections via a mixture-of-experts paradigm. Experiments on three wind farms spanning different climates, capacities (66--200 MW), and exogenous dimensions (11--13 variables) demonstrate that ECTO achieves the lowest MSE across all sites, with relative improvements over the strongest baseline ranging from 2.2% to 5.2%, widening to 8.6% at the longer prediction horizon ($H=32$). Ablation analysis confirms that each exogenous-related component contributes positively (PGVS +1.84%, ECRR +2.86%), and interpretability analysis reveals that PGVS learns physically meaningful, site-specific variable selection patterns, while ECRR converges to well-separated calibration strategies consistent across sites.
Authors: Haibo Chen, Xin Wang, Jiaheng Chao, Ling Feng, Wenwu Zhu
Abstract: Leveraging Graph Neural Networks (GNNs) as graph encoders and aligning the resulting representations with Large Language Models (LLMs) through alignment instruction tuning has become a mainstream paradigm for constructing Graph Language Models (GLMs), combining the generalization ability of LLMs with the structural modeling capacity of GNNs. However, existing GLMs that adopt GNNs as graph encoders largely overlook the problem of aligning GNN-encoded representations across domains and tasks with the LLM token space to obtain unified graph tokens, thereby limiting their ability to generalize across diverse graph data. To bridge this gap, we aim to incorporate a multi-domain, multi-task GNN encoder into GLMs and align its representations with LLMs to enable multi-domain, multi-task graph alignment instruction tuning. This alignment problem remains underexplored and poses two key challenges: 1) learning GNN-encoded representations that are simultaneously generalizable across domains and tasks and well aligned with textual semantics is difficult, due to substantial variations in graph structures, feature distributions, and supervision signals, together with the lack of textual-semantic alignment guidance in task-specific GNN training; 2) diverse graph data and task-specific instructions can exhibit different degrees of compatibility with the LLM token space during instruction tuning, leading to varying alignment difficulty and rendering a fixed alignment strategy suboptimal. To tackle these challenges, we propose UniGraphLM, a Unified Graph Language Model that incorporates a multi-domain, multi-task GNN encoder to learn generalizable graph representations aligned with textual semantics, and then adaptively aligns these representations with the LLM.
Authors: Joel Schreiber, Ariel Goldstein
Abstract: Emergent misalignment (EM), where fine-tuning on a narrow task (like insecure code) causes broad misalignment across unrelated domains, was first demonstrated by Betley et al. (2025). We conduct the most comprehensive EM study to date, reproducing the original GPT-4o finding and expanding to 12 open-source models across 4 families (Llama, Qwen, DeepSeek, GPT-OSS) ranging from 8B to 671B parameters, evaluating over one million model responses with multiple random seeds. We find that EM replicates in GPT-4o but is far from universal: only 2 of 12 open-source models (17%) exhibit consistent EM across seeds, with a significant correlation between model size and EM susceptibility. Through checkpoint-level analysis during fine-tuning, we demonstrate that EM emerges late in training, distinct from and subsequent to near convergence of the primary task, suggesting EM emerges from continued training past task convergence. This yields practical mitigations: early stopping eliminates EM while retaining an average of 93% of task performance, and careful learning rate selection further minimizes risk. Cross-domain validation on medical fine-tuning confirms these patterns generalize: the size-EM correlation strengthens (r = 0.90), and overgeneralization to untruthfulness remains avoidable via early stopping in 67% of cases, though semantically proximate training domains produce less separable misalignment. As LLMs become increasingly integrated into real-world systems, fine-tuning and reinforcement learning remain the primary methods for adapting model behavior. Our findings demonstrate that with proper training practices, EM can be avoided, reframing it from an unforeseen fine-tuning risk to an avoidable training artifact.
Authors: Gaspard Berthelier, Mariia Baranova, Andrei-Tiberiu Pantea, Etienne Le Naour, Adrien Petralia, Tahar Nabil, Themis Palpanas
Abstract: Time Series Foundation Models (TSFMs) have recently achieved state-of-the-art performance, often outperforming supervised models in zero-shot settings. Recent TSFM architectures, such as Chronos-2 and TabPFN-TS, aim to integrate covariates. In this paper, we design controlled experiments based on simple target-covariate relationships to assess this integration capability. Our results show that TabPFN-TS captures these relationships more effectively than Chronos-2, especially for short horizons, suggesting that the strong benchmark performance of Chronos-2 does not automatically translate into optimal modeling of simple covariate-target dependencies.
Authors: Asad Bakija, Florent De Geeter, Julien Brandoit, Pierre Sacr\'e, Guillaume Drion
Abstract: In reinforcement learning (RL), agents acting in partially observable Markov decision processes (POMDPs) must rely on memory, typically encoded in a recurrent neural network (RNN), to integrate information from past observations. Long-horizon POMDPs, in which the relevant observation and the optimal action are separated by many time steps (called the horizon), are particularly challenging: training suffers from poor generalization, severe sample inefficiency, and prohibitive exploration costs. Ideally, an agent trained on short horizons would retain optimal behavior at arbitrarily longer ones, but no formal framework currently characterizes when this is achievable. To fill this gap, we formalized temporal horizon generalization, the property that a policy remains optimal for all horizons, derived a necessary and sufficient condition for it, and experimentally evaluated the ability of nonlinear and parallelizable RNN variants to achieve it. This paper presents the resulting theoretical framework, the empirical evaluation, and the dynamical interpretation linking RNN behavior to temporal horizon generalization. Our analyses reveal that multistability is necessary for temporal horizon generalization and, in simple tasks, sufficient; more complex tasks further require transient dynamics. In contrast, modern parallelizable architectures, namely state space models and gated linear RNNs, are monostable by construction and consequently fail to generalize across temporal horizons. We conclude that multistability and transient dynamics are two essential and complementary dynamical regimes for horizon generalization, and that no current parallelizable RNN exhibits both. Designing parallelizable architectures that combine these regimes thus emerges as a key direction for scalable long-horizon RL.
Authors: Arijit Sehanobish, Charles Lovering
Abstract: We study the \textit{parameter placement problem}: given a fixed budget of $k$ trainable entries within the B matrix of a LoRA adapter (A frozen), does the choice of which $k$ matter? Under supervised fine-tuning, random and informed subsets achieve comparable performance. Under GRPO on base models, random placement fails to improve over the base model, while gradient-informed placement recovers standard LoRA accuracy. This regime dependence traces to gradient structure: SFT gradients are low-rank and directionally stable, so any subset accumulates coherent updates; GRPO gradients are high-rank and near-orthogonal across steps, so only elements with consistently signed gradients retain the learning signal. Our scoring procedure identifies these critical parameters in under 10 seconds at less than 0.5% of training cost. Selected parameters concentrate on residual-stream-writing projections (V, O, Down), stable across model families and scales (1.5B - 8B).
Authors: Rodney A Sanchez, Ferat Sahin, Alex Ororbia, Jamison Heard
Abstract: Advancements in reinforcement learning have produced a variety of complex and useful intrinsic driving forces; crucially, these drivers operate under a direct conditioning paradigm. This form of conditioning limits our agents' capacity by restricting how they learn from the environment as well as from others. Off-policy or learn-by-example methods can learn from demonstrators' representations, but they require access to the demonstrating agent's policies or their reward functions. Our work overcomes this direct sampling limitation by introducing vicarious conditioning as an intrinsic reward mechanism. We draw from psychological and biological literature to provide a foundation for vicarious conditioning and use memory-based methods to implement its four steps: attention, retention, reproduction, and reinforcement. Crucially, our vicarious conditioning paradigms support low-shot learning and do not require the demonstrator agent's policy nor its reward functions. We evaluate our approach in the MiniWorld Sidewalk environment, one of the few public environments that features a non-descriptive terminal condition (no reward provided upon agent death), and extend it to Box2D's CarRacing environment. Our results across both environments demonstrate that vicarious conditioning enables longer episode lengths by discouraging the agent from non-descriptive terminal conditions and guiding the agent toward desirable states. Overall, this work emulates a cognitively-plausible learning paradigm better suited to problems such as single-life learning or continual learning.
Authors: Sina Mavali, David Pape, Jonathan Evertz, Samira Abedini, Devansh Srivastav, Thorsten Eisenhofer, Sahar Abdelnabi, Lea Sch\"onherr
Abstract: Terminal agents are increasingly capable of executing complex, long-horizon tasks autonomously from a single user prompt. To do so, they must interpret instructions encountered in the environment (e.g., README files, code comments, stack traces) and determine their relevance to the task. This creates a fundamental challenge: relevant cues must be followed to complete a task, whereas irrelevant or misleading ones must be ignored. Existing benchmarks do not capture this ability. An agent may appear capable by blindly following all instructions, or appear robust by ignoring them altogether. We introduce TAB (Task Alignment Benchmark), a suite of 89 terminal tasks derived from Terminal-Bench 2.1. Each task is intentionally underspecified, with missing information provided as a necessary cue embedded in a natural environmental artifact, alongside a plausible but irrelevant distractor. Solving these tasks requires selectively using the cue while ignoring the distractor. Applying TAB to ten frontier agents reveals a systematic gap between task capability and task alignment. The strongest Terminal-Bench agent achieves high task completion but low task alignment on TAB. Evaluating six prompt-injection defenses further shows that suppressing distractor execution also suppresses the cues required for task completion. These results demonstrate that task-aligned agents require selective use of environmental instructions rather than blanket acceptance or rejection.
Authors: Chengzhu Bao, Xianglong Yan, Zhiteng Li, Guangshuo Qin, Guanghua Yu, Yulun Zhang
Abstract: NVFP4 has recently emerged as an efficient 4-bit microscaling format for large language models (LLMs), offering superior numerical fidelity with native hardware support. However, existing methods often yield suboptimal performance due to inflexible scale selection and the coupled treatment of quantization and dequantization scales. To address these issues, we propose Scale Optimization for Accurate Reconstruction (SOAR), a novel post-training quantization framework that improves the accuracy of NVFP4 quantization. At its core, SOAR features Closed-form Joint Scale Optimization (CJSO), which jointly optimizes global and block-wise scales via analytical solutions derived from reconstruction error minimization. Furthermore, it incorporates Decoupled Scale Search (DSS). DSS decouples the high-precision quantization scale from its constrained dequantization counterpart, and performs discrete search to mitigate precision loss from scale quantization. Extensive experiments across multiple LLMs show that our method consistently outperforms existing NVFP4 quantization baselines, achieving superior accuracy under the same memory footprint with no additional hardware overhead. The code and models will be available at https://github.com/steven-bao1/SOAR.
Authors: Runhe Lai, Xinhua Lu, Yanqi Wu, Jinlun Ye, Weijiang Yu, Ruixuan Wang
Abstract: Multimodal large language models (MLLMs) have achieved remarkable progress, yet the object hallucination remains a critical challenge for reliable deployment. In this paper, we present an in-depth analysis of instruction token embeddings and reveal that they implicitly encode visual information while effectively filtering erroneous information introduced by misleading visual embeddings. Building on this insight, we propose the Instruction Lens Score (InsLen), which combines a Calibrated Local Score with a Context Consistency Score that measures context consistency of the object tokens. The proposed approach serves as a plug-and-play object hallucination detector without relying on auxiliary models or additional training. Extensive experiments across multiple benchmarks and diverse MLLM architectures demonstrate that InsLen consistently outperforms existing hallucination detection methods, highlighting its effectiveness and robustness. The code is available at https://github.com/Fraserlairh/Instruction-Lens-Score.
URLs: https://github.com/Fraserlairh/Instruction-Lens-Score.
Authors: Chenran Zhao, Dianxi Shi, Haotian Wang, Mengzhu Wang, Yaowen Zhang, Chunping Qiu, Shaowu Yang
Abstract: Many real-world tasks involve delayed effects, where the outcomes of actions emerge after varying time lags. Existing delay-aware reinforcement learning methods often rely on state augmentation, prior knowledge of delay distributions, or access to non-delayed data, limiting their generalization. Hierarchical reinforcement learning, by contrast, inherently offers advantages in handling delays due to its hierarchical structure, yet existing methods are restricted to fixed delays. To address these limitations, we propose Delay-Empowered Causal Hierarchical Reinforcement Learning (DECHRL). DECHRL explicitly models both the causal structure of state transitions and their associated stochastic delay distributions. These are then incorporated into a delay-aware empowerment objective that drives proactive exploration toward highly controllable states, thereby improving performance under temporal uncertainty. We evaluate DECHRL in modified 2D-Minecraft and MiniGrid environments featuring stochastic delays. Experimental results show that DECHRL effectively models temporal delays and significantly outperforms baselines in decision-making under temporal uncertainty.
Authors: Javier Fumanal-Idocin, Raquel Fernandez-Peralta, Javier Andreu-Perez
Abstract: Dynamic feature selection (DFS) is a machine learning framework in which features are acquired sequentially for individual samples under budget constraints. The exponential growth in the number of possible feature acquisition paths forces a DFS model to balance fitting specific scenarios against maintaining general performance, even when the feature space is moderate in size. In this paper, we study the structural limitations of existing DFS approaches to achieve an optimal solution. Then, we propose \textsc{Hyper-DFS}, a hypernetwork-based DFS approach that generates feature subset-specific classifier parameters on demand. We show that the use of hypernetworks compared to mask-embedding methods results in a smaller structural complexity bound. We also use a Set Transformer encoding to create a smooth conditioning space for the hypernetwork, so that functionally similar tasks are also geometrically close. In our benchmarks, \textsc{Hyper-DFS} outperforms all state-of-the-art approaches on synthetic and real-life tabular data. It is also competitive or superior across all image datasets tested, and shows substantially stronger zero-shot generalisation to feature subsets never seen during training than existing DFS approaches.
Authors: Junyu Xiong, Yuan Pu, Jia Tang, Yazhe Niu
Abstract: Leveraging the rich world knowledge of Large Language Models (LLMs) to enhance Reinforcement Learning (RL) agents offers a promising path toward general intelligence. However, a fundamental prior-dynamics mismatch hinders existing approaches: static LLM knowledge cannot directly adapt to the complex transition dynamics of long-horizon tasks. Using LLM priors as fixed policies limits exploration diversity, as the prior is blind to environment-specific dynamics; while end-to-end fine-tuning suffers from optimization instability and credit assignment issues. To bridge this gap, we propose PriorZero, a unified framework that integrates LLM-derived conceptual priors into world-model-based planning through a decoupled rollout-training design. During rollout, a novel root-prior injection mechanism incorporates LLM priors exclusively at the root node of Monte Carlo Tree Search (MCTS), focusing search on semantically promising actions while preserving the world model's deep lookahead capability. During training, PriorZero decouples world-model learning from LLM adaptation: the world model is continuously refined on interaction data to jointly improve its dynamics, policy, and value predictions, its value estimates are then leveraged to provide fine-grained credit assignment signals for stable LLM fine-tuning via alternating optimization. Experiments across diverse benchmarks, including text-based adventure games in Jericho and instruction-following gridworld tasks in BabyAI, demonstrate that PriorZero consistently improves both exploration efficiency and asymptotic performance, establishing a promising framework for LLM-empowered decision-making. Our code is available at https://github.com/opendilab/LightZero.
Authors: Sam Herring, Jake Naviasky, Karan Malhotra
Abstract: Language models are instruction-tuned to refuse harmful requests, but the mechanisms underlying this behavior remain poorly understood. Popular steering methods operate on the residual stream and degrade output coherence at high intervention strengths, limiting their practical use. We introduce contrastive neuron attribution (CNA), which identifies the 0.1% of MLP neurons whose activations most distinguish harmful from benign prompts, requiring only forward passes with no gradients or auxiliary training. In instruct models, ablating the discovered circuit reduces refusal rates by over 50% on a standard jailbreak benchmark while preserving fluency and non-degeneracy across all steering strengths. Applying CNA to matched base and instruct models across Llama and Qwen architectures (from 1B to 72B parameters), we find that base models contain similar late-layer discrimination structures but steering these neurons produces only content shifts, not behavioral change. These results demonstrate that neuron-level intervention enables reliable behavioral steering without the quality tradeoffs of residual-stream methods. More broadly, our findings suggest that alignment fine-tuning transforms pre-existing discrimination structure into a sparse, targetable refusal gate.
Authors: Gioia Blayer, Myung Jun Kim, F\'elix Lefebvre, Lennart Purucker, Alan Arazi, Eilam Shapira, Roi Reichart, Frank Hutter, Marine Le Morvan, David Holzm\"uller, Ga\"el Varoquaux
Abstract: Benchmarking tabular learning has revealed the benefit of dedicated architectures, pushing the state of the art. But real-world tables often contain string entries, beyond numbers, and these settings have been understudied due to a lack of a solid benchmarking suite. They lead to new research questions: Are dedicated learners needed, with end-to-end modeling of strings and numbers? Or does it suffice to encode strings as numbers, as with a categorical encoding? And if so, do the resulting tables resemble numerical tabular data, calling for the same learners? To enable these studies, we contribute STRABLE, a benchmarking corpus of 108 tables, all real-world learning problems with strings and numbers across diverse application fields. We run the first large-scale empirical study of tabular learning with strings, evaluating 445 pipelines. These pipelines span end-to-end architectures and modular pipelines, where strings are first encoded, then post-processed, and finally passed to a tabular learner. We find that, because most tables in the wild are categorical-dominant, advanced tabular learners paired with simple string embeddings achieve good predictions at low computational cost. On free-text-dominant tables, large LLM encoders become competitive. Their performance also appears sensitive to post-processing, with differences across LLM families. Finally, we show that STRABLE is a good set of tables to study "string tabular" learning as it leads to generalizable pipeline rankings that are close to the oracle rankings. We thus establish STRABLE as a foundation for research on tabular learning with strings, an important yet understudied area.
Authors: Takashi Furuya, Yury Korolev, Takaharu Yaguchi
Abstract: Operator learning has been highly successful for continuous mappings between infinite-dimensional spaces, such as PDE solution operators. However, many operators of interest-including differential operators-are discontinuous or set-valued, and lie outside classical approximation frameworks. We propose a paradigm shift by formulating approximation via graph convergence (Painlev\'e-Kuratowski convergence), which is well-suited for closed operators. We show that uniform and $L^p$ approximation are fundamentally inadequate in this setting. Focusing on maximally monotone operators, we prove that any such operator can be approximated in the sense of local graph convergence by continuous encoder-decoder architectures, and further construct structure-preserving approximations that retain maximal monotonicity via resolvent-based parameterizations.
Authors: Minjong Cheon
Abstract: Catastrophic forgetting remains the central obstacle in continual learning (CL): parameters shared across tasks interfere with one another, and existing regularization methods such as EWC and SI apply uniform penalties without awareness of which input region a parameter serves. We propose KAN-CL, a continual learning framework that exploits the compact-support spline parameterization of Kolmogorov-Arnold Networks (KANs) to perform importance-weighted anchoring at per-knot granularity. Deployed as a classification head on a convolutional backbone with standard EWC regularization on the backbone (bbEWC) KAN-CL achieves forgetting reductions of 88% and 93% over a head-only KAN baseline on Split-CIFAR-10/5T and Split-CIFAR-100/10T respectively, while matching or exceeding the accuracy of all baselines on both benchmarks. We further provide a Neural Tangent Kernel (NTK) analysis showing that KAN's spline locality induces a structural rank deficit in the cross-task NTK, yielding a forgetting bound that holds even in the feature-learning regime. These results establish that combining an architecture with natural parameter locality (KAN head) with a complementary backbone regularizer (bbEWC) yields a compositional and principled approach to catastrophic forgetting.
Authors: Yunus Sevinchan, Juan Nathaniel, Kai Ueltzh\"offer, Carla Roesch, Tobias Weber, Vaios Laschos, Hang Fan, Gregor Ramien, Johannes Haux, Pierre Gentine, Benjamin Herdeanu
Abstract: Critical transitions - abrupt, often irreversible changes in system dynamics - arise across human and natural systems, often with catastrophic consequences. Real-world observations of such shifts remain scarce, preventing the development of reliable early warning systems. Conventional statistical and spectral indicators, such as increasing variance, tend to fail under realistic conditions of limited data and correlated noise, whereas existing deep learning classifiers do not extrapolate beyond their training data distribution. In this work, we introduce TipPFN, an in-context learning (ICL) framework that uses a prior-data fitted network to infer a system's proximity to a critical transition. Trained on our novel synthetic data generator, which is based on canonical bifurcation scenarios coupled to diverse, randomized stochastic dynamics, TipPFN flexibly capitalizes on contexts of various sizes, complexity and dimensionalities. We demonstrate robust, state-of-the-art early detection of critical transitions in previously unseen tipping regimes, sim-to-real examples, and real-world observations in both ICL and zero-shot settings.
Authors: Chenran Zhao, Dianxi Shi, Yaowen Zhang, Chunping Qiu, Shaowu Yang
Abstract: Random delays weaken the temporal correspondence between actions and subsequent state feedback, making it difficult for agents to identify the true propagation process of action effects. In cross-task scenarios, changes in task objectives and reward formulations further reduce the reusability of previously acquired task knowledge. To address this problem, this paper proposes a transferable delay-aware reinforcement learning method based on implicit causal graph modeling. The proposed method uses a field-node encoder to represent high-dimensional observations as latent states with node-level semantics, and employs a message-passing mechanism to characterize dynamic causal dependencies among nodes, thereby learning transferable structured representations and environment dynamics knowledge. On this basis, imagination-driven behavior learning and planning are incorporated to optimize policies in the latent space, enabling cross-task knowledge transfer and rapid adaptation. Experimental results show that the proposed method outperforms baseline methods on DMC continuous control tasks with random delays. Cross-task transfer experiments further demonstrate that the learned structured representations and dynamics knowledge can be effectively transferred to new tasks and significantly accelerate policy adaptation.
Authors: Yunbei Xu, Yuzhe Yuan, Ruohan Zhan
Abstract: We study the fundamental and timely problem of learning long sequences in autoregressive modeling and next-token prediction under model misspecification, measured by the joint Kullback--Leibler (KL) divergence. Our goal is to characterize how the sequence horizon \(H\) affects both approximation and estimation errors in this joint-distribution, sequence-level regime. By establishing matching upper and lower bounds, we provide, to our knowledge, the first complete characterization of long-horizon error behavior under the natural joint KL objective, with improved rates and optimality justification relative to existing work. On the approximation side, we show that joint KL admits a horizon-free approximation factor, in sharp contrast to Hellinger-based analyses that exhibit an \(\Omega(H)\) dependence for computationally efficient methods; this isolates the choice of divergence as the source of approximation amplification. On the estimation side, we prove a fundamental information-theoretic lower bound of order \(\Omega(H)\) that holds for both decomposable policy classes and fully shared policies, matching the \(\widetilde O(H)\) upper bounds achieved by computationally efficient algorithms. Our analysis clarifies the landscape of recent autoregressive learning results by aligning the log-loss training objective, the sequence-level evaluation metric, and the approximation metric {\color{black}through a sharp joint-KL oracle theory}. We further show that these joint-KL guarantees imply policy learning regret bounds at rates matching prior imitation learning literature.
Authors: Vage Egiazarian, Erik Schultheis, Andrei Panferov, Earl Killian, Torsten Hoefler, Dan Alistarh
Abstract: A major recent advance in quantization is given by microscaled 4-bit formats such as NVFP4 and MXFP4, quantizing values into small groups sharing a scale, assuming a fixed floating-point grid. In this paper, we study the following natural extension: assume that, for each group of values, we are free to select the "better" among two or more 4-bit grids marked by one or more bits in the scale value. We formalize the power-of-two-grids (PO2) problem, and provide theoretical results showing that practical small-group formats such as MXFP or NVFP can benefit significantly from PO2 grids, while the advantage vanishes for very large groups. On the practical side, we instantiate several grid families, including 1) PO2(NF4), which pairs the standard NF4 normal grid with a learned grid, 2) MPO2, a grid pair that is fully learned over real weights and activations, 3) PO2(Split87), an explicit-zero asymmetric grid and 4) SFP4, a TensorCore-implementable triple which pairs NVFP4 with two shifted variants. Results for post-training quantization of standard open models and pre-training of Llama-like models show that adaptive grids consistently improve accuracy vs single-grid FP4 under both weight-only and weight+activation. Source code is available at https://github.com/IST-DASLab/GridGames.
Authors: Cornelius V. Braun, Tilman Burghoff, Marc Toussaint
Abstract: Sampling from constrained distributions has a wide range of applications, including in Bayesian optimization and robotics. Prior work establishes convergence and feasibility guarantees for constrained sampling, but assumes that the feasible set is connected. However, in practice, the feasible set often decomposes into multiple disconnected components, which makes efficient sampling under constraints challenging. In this paper, we propose MAnifold Sampling via Entropy Maximization (MASEM) for sampling on a manifold with an unknown number of disconnected components, implicitly defined by smooth equality and inequality constraints. The presented method uses a resampling scheme to maximize the entropy of the empirical distribution based on k-nearest neighbor density estimation. We show that, in the mean field, MASEM decreases the KL-divergence between the empirical distribution and the maximum-entropy target exponentially in the number of resampling steps. We instantiate MASEM with multiple local samplers and demonstrate its versatility and efficiency on synthetic and robotics-based benchmarks. MASEM enables fast and scalable mixing across a range of constrained sampling problems, improving over alternatives by an order of magnitude in Sinkhorn distance with competitive runtime.
Authors: Tien-Phat Nguyen, Truong Nguyen, Thin Nguyen, Duy Minh Ho Nguyen, Ngoc-Thanh Dinh, Trung Le
Abstract: Aligning language models for both helpfulness and safety typically requires complex pipelines-separate reward and cost models, online reinforcement learning, and primal-dual updates. Recent direct preference optimization approaches simplify training but incorporate safety through ad-hoc modifications such as multi-stage procedures or heuristic margin terms, lacking a principled derivation. We show that the likelihood ratio of the optimal safe policy admits a closed-form decomposition that reduces safety alignment to a density ratio matching problem. Minimizing Bregman divergences between the data and model ratios yields Bregman Safety Optimization (BSO), a family of single-stage loss functions, each induced by a convex generator, that provably recover the optimal safe policy. BSO is both general and simple: it requires no auxiliary models, introduces only one hyperparameter beyond standard preference optimization, and recovers existing safety-aware methods as special cases. Experiments across safety alignment benchmarks show that BSO consistently improves the safety-helpfulness trade-off.
Authors: Paolo Secchi, Daniel S. Balint, Marco Maurizi
Abstract: Most learned PDE solvers follow a global-surrogate paradigm: a neural operator is trained to map full problem descriptions to full solution fields for a prescribed distribution of geometries, boundary conditions, and coefficients. This has enabled fast inference within fixed problem families, but limits reuse across new domains and makes large-scale deployment dependent on expensive problem-specific data generation. We introduce $\textbf{NEST}$ ($\textbf{Ne}$ural-$\textbf{S}$chwarz $\textbf{T}$iling), a local-to-global framework that shifts learning from full-domain solution operators to reusable local physical solvers. The central premise is that, although global PDE solutions depend on geometry, scale, and boundary conditions, the physical response on small neighborhoods can be learned locally and composed into global solutions through classical domain decomposition. NEST learns a neural operator on minimal voxel patches ($3 \times 3 \times 3$) with diverse local geometries and boundary/interface data. At inference time, an unseen voxelized domain is tiled into overlapping patches, the learned local solver is applied patchwise, and global consistency is enforced through iterative Schwarz coupling with partition-of-unity assembly. In this way, generalization is shifted from a monolithic neural model to the combination of local physics learning and algorithmic global assembly. We instantiate NEST on nonlinear static equilibrium in compressible neo-Hookean solids and evaluate it on large, geometrically complex 3D domains far outside the scale of the training patches. Our results show that local neural building blocks, coupled through Schwarz iteration, offer a reusable local-training path toward scalable learned PDE solvers that generalize across domain size, shape, and boundary-condition configurations.
Authors: Sayantani Ghosh, Amit Kumar Das, Amlan Chakrabarti
Abstract: Lack of transparency in AI systems poses challenges in critical real-life applications. It is important to be able to explain the decisions of an AI system to ensure trust on the system. Explainable AI (XAI) algorithms play a vital role in achieving this objective. In this paper, we are proposing a new algorithm for Explaining AI systems, FAMeX (Feature Association Map based eXplainability). The proposed algorithm is based on a graph-theoretic formulation of the feature set termed as Feature Association Map (FAM). The foundation of the modelling is based on association between features. The proposed FAMeX algorithm has been found to be better than the competing XAI algorithms - Permutation Feature Importance (PFI) and SHapley Additive exPlanations (SHAP). Experiments conducted with eight benchmark algorithms show that FAMeX is able to gauge feature importance in the context of classification better than the competing algorithms. This definitely shows that FAMeX is a promising algorithm in explaining the predictions from an AI system
Authors: Jo\"el Mathys, Basil Rohner, Saku Peltonen, Roger Wattenhofer
Abstract: Message-passing based approaches form the default backbone of most learning architectures on graph-structured data. However, the rapid progress of modern deep learning architectures in other domains, particularly sequence modeling, raises the question of how graph learning can benefit from these advances. We introduce Linearized Graph Sequence Models, a framework that recasts message-passing graph computation from the perspective of sequence modeling to simplify architectural choices. Our approach systematically separates the computational processing depth from the information propagation depth, allowing core graph architectural decisions to be treated as sequence modeling choices. Specifically, we analyze, both empirically and theoretically, what sequence properties make methods effective for learning and preserving the graph inductive bias. In particular, we validate our findings, demonstrating improved performance on long-range information tasks in graphs. Our findings provide a principled way to integrate modern sequence modeling advances into message-passing based graph learning. Beyond this, our work demonstrates how the separation of processing and information depth can recast central architectural questions as input modeling choices.
Authors: Zichuan Yang
Abstract: Solving partial differential equations (PDEs) with machine learning typically requires training a new neural network for every new equation. This optimization is slow. We introduce MetaColloc. It is an optimization-free and data-free framework that removes this bottleneck completely. We decouple basis discovery from the solving process. We meta-train a dual-branch neural network on diverse Gaussian Random Fields. This offline process creates a universal dictionary of neural basis functions. At test time, we freeze the network. We solve the PDE by assembling a collocation matrix. We find the solution through a single linear least squares step. For non-linear PDEs, we apply the Newton-Raphson method to achieve fast quadratic convergence. Our experiments across six 2D and 3D PDEs show massive improvements. MetaColloc reaches state-of-the-art accuracy on smooth and non-linear problems. It also reduces test-time computation by several orders of magnitude. Finally, we provide a detailed frequency sweep analysis. This analysis reveals a critical mismatch between function approximation and operator stability at extremely high frequencies. This profound finding opens a clear path toward future operator-aware meta-learning.
Authors: Matthew Beddows, Aiden Durrant, Georgios Leontidis
Abstract: Accurate crop yield forecasting in commercial soft fruit production is constrained by the data available in typical commercial farm records, which lack the sensor networks, satellite imagery, and high-resolution meteorological inputs that most state-of-the-art approaches assume. We propose a structured LLM agent framework that performs post-hoc correction of existing model predictions, encoding agricultural domain knowledge across tools for phase detection, bias learning, and range validation. Evaluated on a proprietary strawberry yield dataset and a public USDA corn harvest dataset, agent refinement of XGBoost reduced MAE by 20% and MASE by 56% on strawberry, with consistent improvements across Moirai2 (MAE 24%, MASE 22%) and Random Forest (MAE 28%, MASE 66%) baselines. Using Llama 3.1 8B as the agent produced the strongest corrections across all configurations; LLaVA 13B showed inconsistent gains, highlighting sensitivity to the choice of refinement model.
Authors: Fairoz Nower Khan, Nabuat Zaman Nahim, Peizhong Ju
Abstract: Many reinforcement learning (RL) tasks have discrete action spaces, but most generative policy methods based on diffusion and flow matching are designed for continuous control. Meanwhile, generative policies usually rely heavily on offline datasets and offline-to-online RL is itself challenging, as the policy must improve from new interaction without losing useful behavior learned from static data. To address those challenges, we introduce DRIFT, an online fine-tuning method that updates an offline pretrained continuous-time Markov chain (CTMC) policy with an advantage-weighted discrete flow matching loss. To preserve useful pretrained knowledge, we add a path-space penalty that regularizes the full CTMC trajectory distribution, rather than only the final action distribution. For large discrete action spaces, we introduce a candidate-set approximation that updates the actor over a small subset of actions sampled from reference-policy rollouts and uniform exploration. Our theoretical analysis shows that the candidate-set error is controlled by missing target probability mass, and the induced CTMC generator error decreases as the candidate set covers more high-probability actions. Experiments on prevailing discrete action RL task show that our method provides stable offline-to-online improvement across all tasks, achieving the highest average score on Jericho with a simple GRU encoder while outperforming methods that use pretrained language models. Controlled experiments further confirm that the path-space penalty remains bounded during fine-tuning and that the CTMC generator adapts to shifted rewards faster than deterministic baselines. The candidate-set mechanism is supported by a stability analysis showing that the generator error decreases exponentially with candidate coverage.
Authors: Rasool Fakoor, Murdock Aubry, Nicholas Stranges, Alexander J. Smola
Abstract: Reinforcement learning is structurally harder than supervised learning because the policy changes the data distribution it learns from. The resulting fragility is especially visible in large-model training, where the training and rollout systems differ in numerical precision, sampling, and other implementation details. Existing methods manage this fragility by adding hyper-parameters to the training objective, which makes the algorithm more sensitive to its configuration and requires retuning whenever the task, model scale, or distribution mismatch changes. This fragility traces to two concerns that current objectives entangle through hyper-parameters set before training begins: a trust-region concern, that updates should not move the policy too far from its current value, and an off-policy concern, that data from older or different behavior policies should influence the update only to the extent that it remains reliable. Neither concern is a constant to set in advance, and their severity is reflected in the policy-ratio distribution of the current batch. We present a simple yet effective batch-adaptive objective that replaces fixed clipping with the normalized effective sample size of the policy ratios. The same statistic caps the score-function weight and sets the strength of an off-policy regularizer, so the update stays close to the usual on-policy score-function update when ratios are nearly uniform, and tightens automatically when stale or mismatched data cause ratio concentration, while retaining a nonzero learning signal on high-ratio tokens. Experiments across a wide range of settings show that our method matches or exceeds tuned baselines, introducing no new objective hyper-parameters and removing several existing ones. The code is available at https://github.com/FeynRL-project/FeynRL.
Authors: Hari K. Prakash, Charles H Martin
Abstract: Training Neural Networks (NNs) without overfitting is difficult; detecting that overfitting is difficult as well. We present a novel Random Matrix Theory method that detects the onset of overfitting in deep learning models without access to train or test data. For each model layer, we randomize each weight matrix element-wise, $\mathbf{W} \to \mathbf{W}_{\mathrm{rand}}$, fit the randomized empirical spectral distribution with a Marchenko-Pastur distribution, and identify large outliers that violate self-averaging. We call these outliers Correlation Traps. During the onset of overfitting, which we call the "anti-grokking" phase in long-horizon grokking, Correlation Traps form and grow in number and scale as test accuracy decreases while train accuracy remains high. Traps may be benign or may harm generalization; we provide an empirical approach to distinguish between them by passing random data through the trained model and evaluating the JS divergence of output logits. Our findings show that anti-grokking is an additional grokking phase with high train accuracy and decreasing test accuracy, structurally distinct from pre-grokking through its Correlation Traps. More broadly, we find that some foundation-scale LLMs exhibit the same Correlation Traps, indicating potentially harmful overfitting.
Authors: Yuxiao Yang, Xiaoyun Wang, Weitong Zhang
Abstract: We study {on-policy self-distillation} (OPSD), where a language model improves its reasoning ability by distilling privileged teacher distributions along its own on-policy trajectories. Despite the performance gains of OPSD, we identify a common but often overlooked mismatch between teacher and student responses: self-reflected teacher responses can be shifted by reflection-induced bias and response templates, leading to miscalibrated token-level supervision. To mitigate this issue, we propose \methodname, an outcome-guided logit-steering framework that leverages verifiable outcome rewards to contrast successful and failed on-policy trajectories and calibrate teacher logits. By combining outcome-level correctness with dense token-level guidance through logit steering, \methodname stabilizes self-distillation and improves reasoning performance over standard OPSD and other variants across diverse benchmarks.
Authors: Eilam Shapira, Moshe Tennenholtz, Roi Reichart
Abstract: AI agents negotiate and transact in natural language with unfamiliar counterparts: a buyer bot facing an unknown seller, or a procurement assistant negotiating with a supplier. In such interactions, the counterpart's LLM, prompts, control logic, and rule-based fallbacks are hidden, while each decision can have monetary consequences. We ask whether an agent can predict an unfamiliar counterpart's next decision from a few interactions. To avoid real-world logging confounds, we study this problem in controlled bargaining and negotiation games, formulating it as target-adaptive text-tabular prediction: each decision point is a table row combining structured game state, offer history, and dialogue, while $K$ previous games of the same target agent, i.e., the counterpart being modeled, are provided in the prompt as labeled adaptation examples. Our model is built on a tabular foundation model that represents rows using game-state features and LLM-based text representations, and adds LLM-as-Observer as an additional representation: a small frozen LLM reads the decision-time state and dialogue; its answer is discarded, and its hidden state becomes a decision-oriented feature, making the LLM an encoder rather than a direct few-shot predictor. Training on 13 frontier-LLM agents and testing on 91 held-out scaffolded agents, the full model outperforms direct LLM-as-Predictor prompting and game+text features baselines. Within this tabular model, Observer features contribute beyond the other feature schemes: at $K=16$, they improve response-prediction AUC by about 4 points across both tasks and reduce bargaining offer-prediction error by 14%. These results show that formulating counterpart prediction as a target-adaptive text-tabular task enables effective adaptation, and that hidden LLM representations expose decision-relevant signals that direct prompting does not surface.
Authors: Christos Ziakas, Alessandra Russo, Avishek Joey Bose
Abstract: Generative policies based on expressive model classes, such as diffusion and flow matching, are well-suited to complex control problems with highly multimodal action distributions. Their expressivity, however, comes at a significant inference cost: generating each action typically requires simulating many steps of the generative process, compounding latency across sequential decision-making rollouts. We introduce flow map policies, a novel class of generative policies designed for fast action generation by learning to take arbitrary-size jumps including one-step jumps-across the generative dynamics of existing flow-based policies. We instantiate flow map policies for offline-to-online reinforcement learning (RL) and formulate online adaptation as a trust-region optimization problem that improves the critic's Q-value while remaining close to the offline policy. We theoretically derive FLOW MAP Q-GUIDANCE (FMQ), a principled closed-form learning target that is optimal for adapting offline flow map policies under a critic-guided trust-region constraint. We further introduce Q-GUIDED BEAM SEARCH (QGBS), a stochastic flow-map sampler that combines renoising with beam search to enable iterative inference-time refinement. Across 12 challenging robotic manipulation and locomotion tasks from OGBench and RoboMimic, FMQ achieves state-of-the-art performance in offline-to-online RL, outperforming the previous one-step policy MVP by a relative improvement of 21.3% on the average success rate.
Authors: Oleksandr Slyvka, Jan Rube\v{s}, Rodrigo Alves, Jan Legersk\'y
Abstract: For minimally rigid graphs, the same edge-length data can admit multiple realizations (up to translations and rotations). Finding graphs with exceptionally many realizations is an extremal problem in rigidity theory, but exhaustive search quickly becomes infeasible due to the super-exponential growth of the number of candidate graphs and the high cost of realization-count evaluation. We propose a reinforcement-learning approach that constructs minimally rigid graphs via 0- and 1-extensions, also known as Henneberg moves. We optimize realization-count invariants using the Deep Cross-Entropy Method with a policy parameterized by a Graph Isomorphism Network encoder and a permutation-equivariant extension-level action head. Empirically, our method matches the known optima for planar realization counts and improves the best known bounds for spherical realization counts, yielding new record graphs.
Authors: Enyi Jiang, Wu Sun
Abstract: Predicting rare extreme events such as wildfires from meteorological data requires models that remain reliable under evolving environmental conditions. This problem is inherently long-tailed: wildfire events are rare but high-impact, while most observations correspond to non-fire conditions, causing standard learning objectives to underemphasize the minority class (fire) that matters most. In addition, models trained on historical distributions often fail under distribution shifts, exhibiting degraded performance in new environments. To this end, we propose Environment-Adaptive Preference Optimization (EAPO), a framework that adapts prediction to the target environment with long-tail distribution. Given a new input distribution, we first construct distribution-aligned datasets via $k$-nearest neighbor retrieval. We then perform a hybrid fine-tuning procedure on this local manifold, combining supervised learning with preference optimization, as well as emphasizing on rare extreme events. EAPO refines decision boundaries while avoiding conflicting signals from heterogeneous training data. We evaluate EAPO on a real-world wildfire prediction task with environmental shifts. EAPO achieves robust performance (ROC-AUC 0.7310) and improves detection in extreme regimes, demonstrating its effectiveness in dynamic wildfire prediction systems.
Authors: Chen Li, Xiaoling Hu, Songzhu Zheng, Jiawei Zhou, Chao Chen
Abstract: Large language models (LLMs) often produce answers with high certainty even when they are incorrect, making reliable confidence estimation essential for deployment in real-world scenarios. Verbalized confidence, where models explicitly state their confidence in natural language, provides a flexible and user-facing uncertainty signal that can be applied even when token logits are unavailable. However, existing verbalized-confidence methods often optimize answer generation and confidence generation jointly, which can cause confidence-alignment objectives to interfere with answer accuracy. In this work, we propose a decoupled and order-aware framework for verbalized confidence calibration. Our method first generates an answer and then estimates confidence conditioned on the fixed question--answer pair, allowing confidence optimization without directly perturbing the answer-generation process. To align confidence with correctness likelihood, we construct a sampling-based surrogate from multiple model completions and optimize rank-based reinforcement learning objectives that encourage responses with higher estimated correctness likelihood to receive higher verbalized confidence. Experiments on reasoning and knowledge-intensive benchmarks show that our method improves calibration and failure prediction performance while largely preserving answer accuracy. These results demonstrate that verbalized confidence can be more reliably aligned by decoupling confidence estimation from answer generation and optimizing the relative ordering of confidence across responses.
Authors: Guinan Su, Yanwu Yang, Xueyan Li, Jonas Geiping
Abstract: The continued improvements in language model capability have unlocked their widespread use as drivers of autonomous agents, for example in coding or computer use applications. However, the core of these systems has not changed much since early instruction-tuned models like ChatGPT. Even advanced AI agents function on message exchange formats, successively exchanging messages with users, systems, with itself (i.e. chain-of-thought) and tools in a single stream of computation. This bottleneck to a single stream in chat models leads to a number of limitations: the agent cannot act (generate output) while reading, and in reverse, cannot react to new information while writing. Similarly, the agent cannot act while thinking and cannot think while reading or acting on information. In this work, we show that models can be unblocked by switching from instruction-tuning for sequential message formats to instruction-tuning for multiple, parallel streams of computation, splitting each role into a separate stream. Every forward pass of the language model then simultaneously reads from multiple input streams and generates tokens in multiple output streams, all of which causally depend on earlier timesteps. We argue that this data-driven change remedies a number of usability limitations as outlined above, improves model efficiency through parallelization, improves model security through better separation of concerns and can further improve model monitorability.
Authors: Tanmaey Gupta, Hayden Prairie, Xiaoxia Wu, Reyna Abhyankar, Qingyang Wu, Austin Silveria, Pragaash Ponnusamy, Jue Wang, Ben Athiwaratkun, Leon Song, Tri Dao, Daniel Y. Fu, Chris De Sa
Abstract: Quantization has emerged as a standard technique for accelerating inference for generative models by enabling faster low-precision computations and reduced memory transfers. Recently, GPU accelerators have added first-class support for microscaling Block Floating Point (BFP) formats. Standard BFP algorithms use a fixed scale based on the maximum magnitude of the block. We observe that this scale choice can be suboptimal with respect to quantization errors. In this work, we propose ScaleSearch, an alternative strategy for selecting these scale factors: using a fine-grained search leveraging the mantissa bits in microscaling formats to minimize the quantization error for the given distribution. ScaleSearch can be integrated with existing quantization methods such as Post Training Quantization and low-precision attention, and is shown to improve their performance. Additionally, we introduce ScaleSearchAttention, an accelerated NVFP4-based attention algorithm, which uses ScaleSearch and adapted prior techniques to ensure near-0 performance loss for causal language modeling. Experiments show that ScaleSearch reduces quantization error by 27% for NVFP4 and improves language model PTQ by up to 15 points for MATH500 (Qwen3-8B), while ScaleSearchAttention improves Wikitext-2 PPL by upto 0.77 points for Llama 3.1 70B. The proposed methods closely match baseline performance while providing quantization accuracy improvements.
Authors: Leonardo N. Coregliano, William Opich
Abstract: Recently, a series of works have started studying variations of concepts from learning theory for product spaces, which can be collected under the name high-arity learning theory. In this work, we consider a high-arity variant of sample compression schemes and we prove that the existence of a high-arity sample compression scheme of non-trivial quality implies high-arity PAC learnability.
Authors: Jacob Fein-Ashley, Paria Rashidinejad
Abstract: Looped Transformers offer a promising alternative to purely feed-forward computation by iteratively refining latent representations, improving language modeling and reasoning. Yet recurrent architectures remain unstable to train, costly to optimize and deploy, and constrained to small, fixed recurrence depths. We introduce Attractor Models, in which a backbone module first proposes output embeddings, then an attractor module refines them by solving for the fixed point, with gradients obtained through implicit differentiation. Thus, training memory remains constant in effective depth, and iterations are chosen adaptively by convergence. Empirically, Attractor Models outperform existing models across two regimes, large-scale language-model pretraining and reasoning with tiny models. In language modeling, Attractor Models deliver a Pareto improvement over standard Transformers and stable looped models across sizes, improving perplexity by up to 46.6% and downstream accuracy by up to 19.7% while reducing training cost. Notably, a 770M Attractor Model outperforms a 1.3B Transformer trained on twice as many tokens. On challenging reasoning tasks, we show that our model with only 27M parameters and approximately 1000 examples achieves 91.4% accuracy on Sudoku-Extreme and 93.1% on Maze-Hard, scaling favorably where frontier models like Claude and GPT o3, fail completely, and specialized recursive reasoners collapse at larger sizes. Lastly, we show that Attractor Models exhibit a novel phenomenon, which we call equilibrium internalization: fixed-point training places the model's initial output embedding near equilibrium, allowing the solver to be removed at inference time with little degradation. Together, these results suggest that Attractor Models make iterative refinement scalable by turning recurrence into a computation the model can learn to internalize.
Authors: Alireza Nadali, Patrick Cooper, Ashutosh Trivedi, Alvaro Velasquez
Abstract: We introduce KV-Fold, a simple, training-free long-context inference protocol that treats the key-value (KV) cache as the accumulator in a left fold over sequence chunks. At each step, the model processes the next chunk conditioned on the accumulated cache, appends the newly produced keys and values, and passes the enlarged cache forward; the same one-step update is applied repeatedly, analogous to foldl in functional programming. Building on the KV cache concatenation primitive introduced for latent multi-agent communication, we repurpose it as a chunk-to-chunk recurrence for long-context inference. When processing chunk t, the model attends to the KV cache carried from earlier chunks as a prefix, reusing its internal state across segments without modifying or retraining the model. Despite its simplicity, the induced recurrence is stable: per-step drift rises briefly and then saturates into a flat plateau that persists across deep chains. This plateau is insensitive to a 10,000x change in numerical precision, robust across chunk sizes, and consistent across model families. At the task level, KV-Fold preserves exact information over long distances. On a needle-in-a-haystack benchmark, it achieves 100% exact-match retrieval across 152 trials spanning contexts from 16K to 128K tokens and chain depths up to 511 on Llama-3.1-8B, while remaining within the memory limits of a single 40GB GPU. Compared to streaming methods, which trade fidelity for bounded memory, KV-Fold maintains long-range retrieval while operating as a sequence of tractable forward passes. Overall, our results show that frozen pretrained transformers already support a stable form of KV-cache recurrence, providing a practical route to long-context inference without architectural changes or training.
Authors: Sagi Ahrac, Noya Hochwald, Mor Geva
Abstract: Sparse Mixture-of-Experts (SMoE) models enable scaling language models efficiently, but training them remains challenging, as routing can collapse onto few experts and auxiliary load-balancing losses can reduce specialization. Motivated by these hurdles, we study how routing decisions in SMoEs are formed mechanistically. First, we reveal a geometric coupling between routers and their corresponding experts. For a given token, the router weights for the selected expert and the expert weights processing it receive gradients along the same input direction, differing only in scalar coefficients. Thus, matched router--expert directions accumulate the same routed token history. This theoretical coupling also appears empirically in routing dynamics. In a $1$B SMoE trained from scratch, higher router scores predict stronger expert neuron activations, showing that routing decisions are mirrored inside the selected expert. Next, we analyze the effects of auxiliary load balancing on the router--expert geometric coupling, showing that such losses break this structure by spreading input-directed gradients across router weights, making distinct router directions nearly three times more similar to each other. Last, we demonstrate the centrality of geometric coupling for effective routing with a parameter-free online K-Means router, in which each expert maintains a running average of the hidden states routed to it and tokens are assigned based on cosine similarity. Compared with auxiliary-loss and loss-free balancing, this router achieves the lowest load imbalance with only a modest perplexity increase, indicating that geometric coupling captures a substantial part of what the router learns. Overall, our results explain how routers form assignment geometry that supports an effective division of labor.
Authors: Seokwon Jung, Alexander Rubinstein, Arnas Uselis, Sangdoo Yun, Seong Joon Oh
Abstract: LLM-based agents increasingly operate in persistent environments where they must store, update, and reason over information across many sessions. While prior benchmarks evaluate only single-entity updates, MEME defines six tasks spanning the full space defined by the multi-entity and evolving axes, including three not scored by prior work: Cascade and Absence (dependency reasoning) and Deletion (post-removal state). Evaluating six memory systems spanning three memory paradigms on 100 controlled episodes, we find that all systems collapse on dependency reasoning under the default configuration (Cascade: 3%, Absence: 1% in average accuracy) despite adequate static retrieval performance. Prompt optimization, deeper retrieval, reduced filler noise, and most stronger LLMs fail to close this gap. Only a file-based agent paired with Claude Opus 4.7 as its internal LLM partially closes the gap, but at ~70x the baseline cost, indicating closure currently depends on configurations that are not practical at scale. Code and data are available on the project page: https://seokwonjung-jay.github.io/meme-eval/.
Authors: Yuanda Xu, Hejian Sang, Zhengze Zhou, Ran He, Zhipeng Wang, Alborz Geramifard
Abstract: In settings where labeled verifiable training data is the binding constraint, each checked example should be allocated carefully. The standard practice is to use this data directly on the model that will be deployed, for example by running GRPO on the deployment student. We argue that this is often an inefficient allocation because it overlooks a reward-density principle: sparse sequence-level reward should train models where exploration is productive, while dense token-level teacher reward should be used where the aim is to compress behavior into a smaller model. In this view, GRPO-style sparse RL and OPD-style dense teacher supervision are not separate recipes; they are different reward-density regimes. The allocation rule is simple: use scarce labeled training data upstream on the strongest model that can turn it into reward-shaped behavior, then transfer that behavior downstream as dense supervision. We evaluate this rule on verifiable math with Qwen3 and Llama models. At fixed Qwen3-1.7B deployment-student size, an RL-improved 8B teacher distilled through the dense bridge outperforms direct GRPO on the same student, while transfer from the same teacher before RL underperforms. The bridge is important: a forward-KL warmup on teacher rollouts followed by OPD on student rollouts is consistently strongest on MATH before any post-bridge student-side sparse RL, and also gives the best pre-Stage~3 AIME endpoints for the canonical 8B/14B teachers. The bridge also makes later student-side sparse RL effective: GRPO that is weak on a cold student lifts MATH from $75.4\%$ to $78.5\%$ after the bridge and outperforms a matched replay control by $2.8$ points. The operational principal is to avoid using scarce labeled data on the least prepared policy: use sparse reward for teacher-side discovery, dense transfer for student compression, and student-side sparse reward only after the bridge.
Authors: Rishabh Tiwari, Kusha Sareen, Lakshya A Agrawal, Joseph E. Gonzalez, Matei Zaharia, Kurt Keutzer, Inderjit S Dhillon, Rishabh Agarwal, Devvrit Khatri
Abstract: Large language models (LLMs) are trained for downstream tasks by updating their parameters (e.g., via RL). However, updating parameters forces them to absorb task-specific information, which can result in catastrophic forgetting and loss of plasticity. In contrast, in-context learning with fixed LLM parameters can cheaply and rapidly adapt to task-specific requirements (e.g., prompt optimization), but cannot by itself typically match the performance gains available through updating LLM parameters. There is no good reason for restricting learning to being in-context or in-weights. Moreover, humans also likely learn at different time scales (e.g., System 1 vs 2). To this end, we introduce a fast-slow learning framework for LLMs, with model parameters as "slow" weights and optimized context as "fast" weights. These fast "weights" can learn from textual feedback to absorb the task-specific information, while allowing slow weights to stay closer to the base model and persist general reasoning behaviors. Fast-Slow Training (FST) is up to 3x more sample-efficient than only slow learning (RL) across reasoning tasks, while consistently reaching a higher performance asymptote. Moreover, FST-trained models remain closer to the base LLM (up to 70% less KL divergence), resulting in less catastrophic forgetting than RL-training. This reduced drift also preserves plasticity: after training on one task, FST trained models adapt more effectively to a subsequent task than parameter-only trained models. In continual learning scenarios, where task domains change on the fly, FST continues to acquire each new task while parameter-only RL stalls.
Authors: Kexuan Shi, Hanxuan Li, Zeju Qiu, Yandong Wen, Simon Buchholz, Weiyang Liu
Abstract: We introduce Pion, a spectrum-preserving optimizer for large language model (LLM) training based on orthogonal equivalence transformation. Unlike additive optimizers such as Adam and Muon, Pion updates each weight matrix through left and right orthogonal transformations, preserving its singular values throughout training. This yields an optimization mechanism that modulates the geometry of weight matrices while keeping their spectral norm fixed. We derive the Pion update rule, systematically examine its design choices, and analyze its convergence behavior along with several key properties. Empirical results show that Pion offers a stable and competitive alternative to standard optimizers for both LLM pretraining and finetuning.
Authors: Lavinia Heisenberg, Shayan Hemmatyar, Hector Villarrubia-Rojo
Abstract: We present a machine learning framework for testing general relativity (GR) with gravitational wave signals from binary black hole mergers. Using the source parameters of 173 BBH events from the GWTC catalog as a realistic astrophysical population, we generate simulated GR waveforms and construct beyond GR (BGR) waveforms by applying controlled phase deformations. We introduce a response function formalism that provides a systematic framework for quantifying how any observable responds to modifications of GR. We train convolutional neural networks (CNNs) on two input representations: whitened waveforms and a response function type observable derived from the waveform mismatch, which isolates the effect of phase deviations from the bulk signal. Using response functions as the CNN input improves the classification sensitivity by a factor of approximately 33 compared to whitened waveforms, demonstrating that the choice of observable representation is as important as the classifier architecture. We study the fundamental limits of this classification through Bayes optimal error analysis, averaging methods that reveal coherent patterns hidden in noise, and a comparison between CNN accuracy and a single feature classifier as a proxy for human performance. At all deformation scales, the CNN outperforms the best single feature approach. We extend the framework to physically motivated theories using the parameterized post Einsteinian (ppE) formalism and apply it to massive gravity, where the classifier detects deviations for graviton masses of order $m_g \sim 10^{-23}\;\mathrm{eV}/c^2$ with aLIGO design sensitivity.
Authors: Oliver Knitter, Sang Hyub Kim, Maximilian Wurzer, Jonathan Mei, Claudio Girotto, Karen Horovitz, Chi Chen, Masako Yamada, Frederik F. Fl\"other, Martin Roetteler
Abstract: We present an experimental study of energy-to-solution (ETS) of hybrid quantum-classical applications, enabled by direct instrumentation of power consumption of a Forte Enterprise trapped-ion quantum processor. We apply this methodology to a hybrid quantum-classical pipeline for quantum fine-tuning of foundational AI models, and validate the approach end-to-end on quantum hardware. Despite noise and limited qubit counts, the resulting models achieve accuracy competitive with and exceeding classical baselines such as logistic regression and support vector classifiers. Our results show that QPU energy consumption scales approximately linearly with qubit number for shallow circuits, while classical simulation exhibits exponential scaling, indicating a break-even for ETS around 34 qubits. The classification error improvement of the best quantum fine-tuned model over the best classical fine-tuned model considered in this study is around 24%. We further contextualize these findings with comparisons to tensor network methods. This work establishes energy-to-solution as a measurable and scalable metric for evaluating quantum applications and provides experimental evidence of favorable energy-accuracy trade-offs.
Authors: Abhishek Sadhu, Sharu Theresa Jose
Abstract: Distributed quantum algorithms offer a promising pathway to scale variational quantum algorithms beyond the constraints of noisy intermediate-scale quantum hardware. However, existing approaches implicitly assume a trusted entanglement-sharing layer across quantum processors. We show that this assumption introduces a fundamental vulnerability: adversarial perturbations of shared entanglement induce structured gate-level noise that directly impacts quantum learning. We develop a framework that maps entanglement-level perturbations to gate-level noise via an explicit Kraus representation. To quantify their impact, we introduce Kraus expressibility, a metric that generalizes unitary expressibility to noisy quantum channels. We then establish a trade-off between Kraus expressibility and trainability of noisy quantum circuits through gradient variance analysis. Our analysis reveals that an adversary can manipulate Kraus expressibility to maintain sufficiently large cost gradients (avoiding barren plateaus) while systematically biasing optimization toward incorrect solutions. We validate these findings through numerical simulations, demonstrating adversarial degradation of expressibility and trainability.
Authors: Souvik Pramanik, S. M. Riaz Rahman Antu, Shak Mohammad Abyad, Md. Ibrahim Khalil, Md. Shahriar Hussain
Abstract: Annotation automation via Large Language Models (LLMs) is the core approach for scaling NLP datasets; however, LLM behavior with respect to closed-set instructions in low-resource languages has not been well studied. We present MultiSoc-4D, a Bengali social media dataset benchmark, which contains 58K+ social media comments from six sources annotated along four dimensions: category, sentiment, hate speech, and sarcasm. By employing a structured pipeline where ChatGPT, Gemini, Claude, and Grok individually annotate separate partitions, while sharing a common validation set of 20%, we diagnose LLM behavior systematically. We discover a prevalent phenomenon called "instruction-induced label collapse", wherein LLMs show a systematic preference towards fallback labels (Other, Neutral, No), leading to high agreement rates but under-detection of minority categories. For example, we find that LLMs failed to detect 79% and 75% of instances with hateful and sarcastic content compared to a human-calibrated reference. Furthermore, we prove that it represents a "label agreement illusion", statistically validated via almost null Fleiss' Kappa ($\kappa \approx -0.001$) on sarcasm detection. Across 40+ LLMs, we benchmark this annotation bias propagation within the training pipeline, regardless of architectural differences. We release MultiSoc-4D as a diagnostic benchmark for annotation biases in Bengali NLP.
Authors: Lin Li, Jiawei Huang, Qihao Quan, Dan Li, Boxin Li, Xiao Zhang, Erli Meng, Wenjie Feng, Jian Lou, See-Kiong Ng
Abstract: In this paper, we propose the first VL$\underline{\textbf{M}}$ $\underline{\textbf{a}}$gentic $\underline{\textbf{r}}$easoning framework for few-$\underline{\textbf{s}}$hot multimodal $\underline{\textbf{T}}$ime $\underline{\textbf{S}}$eries $\underline{\textbf{C}}$lassification ($\textbf{MarsTSC}$), which introduces a self-evolving knowledge bank as a dynamic context iteratively refined via reflective agentic reasoning. The framework comprises three collaborative roles: i) Generator conducts reliable classification via reasoning; ii) Reflector diagnoses the root causes of reasoning errors to yield discriminative insights targeting the temporal features overlooked by Generator; iii) Modifier applies verified updates to the knowledge bank to prevent context collapse. We further introduce a test-time update strategy to enable cautious, continuous knowledge bank refinement to mitigate few-shot bias and distribution shift. Extensive experiments across 12 mainstream time series benchmarks demonstrate that $\textbf{MarsTSC}$ delivers substantial and consistent performance gains across 6 VLM backbones, outperforming both classical and foundation model-based time series baselines under few-shot conditions, while producing interpretable rationales that ground each classification decision in human-readable feature evidence.
Authors: Ruhan Wang, Chengkai Huang, Zhiyong Wang, Junda Wu, Rui Wang, Tong Yu, Julian McAuley, Lina Yao, Dongruo Zhou
Abstract: Large language models (LLMs) exhibit strong reasoning capabilities when guided by high-quality demonstrations, yet such data is often distributed across organizations that cannot centralize it due to regulatory, proprietary, or institutional constraints. We study federated reasoning, where a server improves multi-step reasoning by coordinating with heterogeneous clients holding private demonstrations, without centralized training or raw data sharing. The key challenge is that client reliability is query-dependent, while the server cannot inspect client data to determine which contributions are trustworthy. To address this, we propose Uncertainty-Aware Federated Reasoning (FERA), a training-free framework based on iterative server-client co-refinement. Across communication rounds, clients generate reasoning traces with lightweight uncertainty estimates, and the server synthesizes them into improved reasoning that is redistributed as context for the next round, progressively improving both server outputs and client-side reasoning. Within each round, Uncertainty-Aware Self-Critique Aggregation (UA-SCA) resolves conflicts among heterogeneous client traces through query-dependent trust weighting and structured cross-client verification. Rather than simply discarding low-quality traces, UA-SCA revises flawed reasoning steps to recover useful information. We provide theoretical guarantees showing that the proposed iterative protocol converges and that uncertainty-aware weighting accelerates convergence. Experiments on multiple reasoning benchmarks show that FERA consistently outperforms both federated training and training-free baselines, achieving progressively higher accuracy across rounds while maintaining communication and computational efficiency.
Authors: Lilly Horvath-Makkos, Fayyaz Minhas
Abstract: Understanding how vegetation loss alters rainfall remains a major challenge in climate and hydrological science, as deforestation modifies precipitation through heterogeneous, seasonal and nonlinear land-atmosphere feedbacks. Existing models struggle to capture these dynamics: convection is parameterised at coarse scales, tipping behaviour is poorly constrained, and rainfall-deforestation analyses are limited to multi-decadal timescales. Therefore, many approaches resolve correlations rather than causal effects, limiting our ability to anticipate hydrological disruption. Using a neural-network model for hourly rainfall prediction, combined with pathway diagnostics and sensitivity analyses, we examine how vegetation perturbations reorganise rainfall across space, intensity regimes, and timescales under deforestation. We assess whether the model captures physically consistent dependencies linking vegetation, atmospheric state, and precipitation, and whether sustained canopy loss induces threshold behaviour. The model accurately predicts rainfall occurrence and intensity (Spearman = 0.84, F1 = 0.93, ROC-AUC = 0.98) and learns temporally ordered dependencies aligned with ecohydrological theory. Sensitivity analyses reveal rapid, asymmetric responses to vegetation loss: heavy rainfall (20-50 mm/h) declines by up to 7% under sustained deforestation, while light rainfall (0.1-1 mm/h) increases by 4%. Rainfall entropy rises by 1.3%, and dry-season intensity increases by 0.3-0.5% per 0.5% forest-cover loss, with strongest impacts in the north-western Amazon and Andean foothills. Threshold analysis reveals a sharp decline in precipitating area fraction after 2-3 months of sustained vegetation change in sensitive regions. These results demonstrate that data-driven approaches uncover process-relevant land-atmosphere coupling and highlight growing hydrological vulnerability in the Amazon.
Authors: Usman Nazir, I-Han Cheng, Sara Khalid
Abstract: Malaria, childhood acute respiratory infection, and child undernutrition together account for over two million deaths annually in children under five, with the burden concentrated in low and middle-income countries where climate variability modulates transmission, exposure, and nutritional outcomes. Routine health surveillance in these settings remains sparse and reactive. Satellite-derived representations of the Earth's surface offer a scalable, low-cost complement to traditional covariates, yet their utility as predictors of population health outcomes is poorly characterised. We summarise findings from three studies evaluating AlphaEarth Foundations 64-dimensional satellite embeddings as predictors of population health outcomes, focusing on vulnerable populations. The studies span infectious disease (malaria, respiratory infection) and stunting. In each study, embeddings provide predictive value at sufficient spatial granularity: (i) malaria prediction across Nigeria shows consistent per-region R^2 gains; (ii) childhood acute respiratory infection prediction across 11 DHS countries increases pooled R^2 from 0.157 to 0.206 across three tree-based estimators; (iii) stunting prediction across 35 countries is neutral at country level due to collinearity with fixed effects. The stunting case is currently limited by lack of DHS cluster-level coordinates, which is the next key experiment.
Authors: Jiahua Zhao, Umair bin Waheed, Jing Sun, Yang Cui, Nikos Savva, Eric Verschuur
Abstract: The demand for high-resolution subsurface imaging and continuous Earth monitoring has driven rapid growth in active and passive seismic data from dense geophone deployments, distributed acoustic sensing (DAS) arrays, and large-scale 2D and 3D surveys. This expansion makes complex noise suppression increasingly challenging, especially when signal fidelity must be preserved. Conventional supervised deep learning methods are often task-specific, require large paired datasets, and can suffer from domain shift under new acquisition conditions. Foundation models offer a promising alternative, but pre-training seismic foundation models from scratch requires massive domain-specific data and substantial computation. We propose an efficient framework that repurposes general-purpose Vision Foundation Models (VFMs) for geophysical tasks through Parameter-Efficient Fine-Tuning. The architecture uses a pre-trained VFM, a DINOv3 encoder, adapted with Low-Rank Adaptation (LoRA) to enable effective feature adaptation with few additional parameters. To improve robustness under unseen field conditions without ground truth, we introduce a kurtosis-guided unsupervised test-time adaptation module that updates only LoRA parameters during inference. This module self-calibrates the model to site-specific noise by identifying information-rich regions via kurtosis and performing self-training without labeled data. Experiments on public exploration seismic images and DAS vertical seismic profiling data from the Utah FORGE site show that the framework matches or outperforms domain-specific models. Tests on unseen cross-site data from a land survey in China and the Gro{\ss} Sch\"onebeck geothermal site in Germany further demonstrate strong generalization and effective signal-noise separation. These results highlight the potential of adapting pre-trained VFMs to data-intensive problems in exploration seismology.
Authors: Manho Park, Christopher V. Rackauckas, Christopher W. Tessum
Abstract: Machine-learned surrogate modeling of advection may accelerate geoscientific models, but existing approaches have either achieved limited speedup or have sacrificed spatial resolution compared to the model they are trained to emulate. We developed a machine-learned solver that speeds up advection simulations without sacrificing spatial resolution through the use of temporal coarse-graining, where the model is trained to take larger integration steps than dictated by the Courant-Friedrich-Lewy (CFL) condition. Our solver framework includes a convolutional neural network that takes concentrations and CFL numbers as inputs and outputs mass flux. Our solvers emulate 10-day ground-level horizontal advection simulations with r$^2$ values against the baseline ranging from 0.60--0.98 with temporal coarsening factors of 4 to 32 times the baseline integration time step. Speed increases and accuracy decreases with increased coarsening, with $r^2 = 0.24$ in accuracy lost for every factor of 10 gained in speed, reaching a maximum 92$\times$ speedup while maintaining $r^2 = 0.60$. We deliberately trained our solvers only on January ground-level wind data to examine their ability to generalize across seasons and vertical heights. The 4$\times$-coarsened learned solver successfully reproduces simulations over 72 vertical levels. The 8$\times$--16$\times$ solvers (but not 32$\times$) emulate most vertical levels. The learned solvers also generalize well across seasons, except for instabilities in June and October. With additional fine-tuning, these learned solvers could be appropriate for operational use where trading accuracy for speed could be advantageous, such as in screening tools, in ensemble simulations, or with data assimilation.
Authors: Akarsh Gupta, Kenneth Rodrigues, Sagnik Chatterjee
Abstract: Identifying operons is a fundamental step in understanding prokaryotic gene regulation, as classifying genes into operons supports the reconstruction of regulatory networks, functional annotation of unannotated genes, and drug candidate development. Experimental approaches such as RT-PCR and RNA-seq provide precise evidence of operon structure, but are laborious and largely limited to well-studied model organisms, making scalable computational methods essential for genome-wide operon identification. Prior computational approaches have employed traditional classifiers such as logistic regression and decision trees, motivating our use of these as physicochemical baselines. The DGEB benchmark evaluates operonic pair classification by embedding each sequence independently with a pre-trained protein language model and computing pairwise cosine similarity. In contrast, our Siamese MLP learns a classifier over the fused embedding space, which is theoretically better motivated for binary classification, as cosine similarity can yield meaningless scores depending on the regularization of the embedding model. While protein language model embeddings substantially outperform physicochemical features in ROC-AUC, a learned Siamese MLP head does not significantly improve over unsupervised cosine similarity in Average Precision, suggesting that the geometry of the embedding space already captures the functional relationships needed for this task. Nonetheless, our Siamese MLP achieves a ROC-AUC of 0.71, competitive with state-of-the-art models on the DGEB leaderboard. These findings indicate that protein language model embeddings are a viable, scalable foundation for operonic pair classification across diverse microbial genomes, with implications for automated genome annotation, regulatory network reconstruction, and characterization of organisms lacking experimental operon annotations.
Authors: Gayan K. Kulatilleke, Siamak Layeghy, Mahsa Baktashmotlagh, Marius Portmann
Abstract: We present MambaNetBurst, a compact tokenizer-free byte-level sequence classifier for network burst classification based on a Mamba-2 backbone. In contrast to most recent strong traffic-classification and intrusion-detection approaches, our method operates directly on raw packet bytes, avoids tokenization, patching, and heavy engineered multimodal representations, and does not require any self-supervised pre-training stage. Given a packet flow, we form a fixed-length burst from the first few packets, embed the resulting byte sequence appending a learnable CLS token, and process it with a stack of residual pre-normalized Mamba-2 blocks for end-to-end supervised classification. Across six public benchmarks spanning encrypted mobile app identification, VPN/Tor traffic classification, malware traffic classification, and IoT attack traffic, MambaNetBurst achieves consistently strong results and is competitive with, or outperforms, substantially heavier and often pre-trained baselines. Our ablation study shows that preserving byte-level temporal resolution is critical, that early downsampling through striding is consistently harmful, and that moderate state sizes are sufficient for robust generalization. We further show that Mamba-2, despite its more constrained transition structure relative to Mamba-1, remains highly effective for packet-byte modeling while providing clear efficiency advantages, particularly in training speed. Overall, our results demonstrate that direct **undiluted** byte-to-classification learning with compact selective state space models is a practical, effective and novel direction for efficient, deployable traffic analysis that bypasses the complexity of pre-training pipelines even over highly optimized linear attention architectures.
Authors: Paheli Bhattacharya, Manojit Chakraborty, Santhosh Kumar Arumugam, Rishabh Gupta
Abstract: This paper presents the ReXCL tool, which automates the extraction and classification processes in requirements engineering, enhancing the software development life-cycle. The tool features two main modules: Extraction, which processes raw requirement documents into a predefined schema using heuristics and predictive modeling, and Classification, which assigns class labels to requirements using adaptive fine-tuning of encoder-based models. The final output can be exported to external requirement engineering tools. Performance evaluations indicate that ReXCL significantly improves efficiency and accuracy in managing requirements, marking a novel approach to automating the schematization of semi-structured requirement documents.
Authors: Kirill Gelvan, Igor Slinko, Felix Steinbauer, Egor Bogomolov, Florian Kofler, Yaroslav Zharov
Abstract: LLM-based Software Engineering agents face a critical bottleneck: context length limitations cause failures on complex, long-horizon tasks. One promising solution is to encode context as continuous embeddings rather than discrete tokens, enabling denser information storage. We apply the recently proposed In-Context Autoencoder for this purpose. While the method performs well on single-shot common-knowledge and code-understanding tasks, our experiments demonstrate that it fails on multi-step agentic coding tasks. In this paper, we explore this phenomenon and discuss possible factors contributing to this failure.
Authors: Sultan Zavrak
Abstract: The Model Context Protocol (MCP) has become a widely adopted interface for LLM agents to invoke external tools, yet learned monitoring of MCP tool-call traffic remains underexplored. In this article, MCPShield is presented as an attack detection framework for MCP tool-call traffic that encodes each agent session as a graph (tool calls as nodes, sequential and data-flow links as edges), enriches nodes with sentence-embedding features over arguments and responses, and classifies sessions as benign or attacked. Three GNN architectures (GAT, GCN, GraphSAGE), a no-graph MLP, and classical baselines (XGBoost, random forest, logistic regression, linear SVM) are evaluated, with the full architecture comparison conducted on RAS-Eval (task-stratified splits) and GraphSAGE retained as the GNN baseline on ATBench and a combined-source variant (both label-stratified). Three findings emerge. First, content-level features are essential: metadata-only detection plateaus around an AUROC of 0.64 regardless of architecture, while content embeddings push the AUROC above 0.89. Second, naive random-split evaluation inflates AUROC by up to 26 percentage points relative to task-disjoint splits, a memorization confound that prior agent-detection work has not addressed. Third, the detection signal resides primarily in the SBERT content embeddings: an AUROC of 0.975 was reached by tree ensembles on pooled embeddings, performing, for the most part, better than the neural architectures in the primary RAS-Eval setting including GNNs (0.917) and the MLP (0.896), and self-supervised pre-training does not deliver a label-efficiency advantage on this task.
Authors: Caleb Robinson, Gedeon Muhawenayo, Subash Khanal, Zhanpei Fang, Isaac Corley, Ana M. T\'arano, Lyndon Estes, Jennifer Marcus, Nathan Jacobs, Hannah Kerner, Inbal Becker-Reshef, Juan M. Lavista Ferres
Abstract: The agricultural field is the natural unit at which crops are planted, managed, regulated, and reported, yet most global remote-sensing products for agriculture are only available at the pixel level. While some high-quality field-level data products exist, they come from parcel registries covering only parts of Europe or from ML-derived products for individual countries. No openly available, globally consistent map of agricultural field boundaries exists to date. Here we present the first global field boundary dataset at 10\,m resolution for the years 2024 and 2025, comprising 3.17 billion remote-sensing field polygons (1.62 B in 2024 and 1.55 B in 2025) across 241 countries and territories, produced by applying a U-Net segmentation model trained on the Fields of The World dataset to cloud-free Sentinel-2 mosaics. Validated against ground-truth field boundaries in 24 countries, the map achieved a mean pixel-level recall of 0.85 with 14 countries exceeding 0.90. Evaluation against full-country ground-truth datasets in Austria, Latvia, and Finland yielded F1 scores of 0.89, 0.88, and 0.74, respectively. Because reference data for global validation is inherently incomplete, we accompanied the map with a 500 m confidence layer that identifies regions where predictions are reliable. We release the dataset openly as three global maps: the confidence-thresholded default field boundary dataset, the full unfiltered dataset, and the continuous-valued confidence raster. These maps provide the first globally consistent field-level unit of analysis for crop monitoring, food security, and downstream agricultural science.
Authors: William Gibson, Christoph Reisinger
Abstract: We study the large-depth limit of transformers trained with AdamW, by modelling the hidden-state dynamics as an interacting particle system (IPS) coupled through the attention mechanism. Under appropriate scaling of the attention heads, we prove that the joint dynamics of the hidden states and backpropagated variables converge in $L^2$, uniformly over the initial condition, to the solution of a forward--backward system of ODEs at rate $\mathcal O(L^{-1}+L^{-1/3}H^{-1/2})$. Here, $L$ and $H$ denote the depth and number of heads of the transformer, respectively. The limiting system of ODEs can be identified with a McKean--Vlasov ODE (MVODE) when the attention heads do not incorporate causal masking. By using the flow maps associated with this MVODE and applying concentration of measure techniques, we obtain bounds on the difference between the discrete and continuous models that are uniform over compact sets of initial conditions. As this is achieved without resorting to a covering argument, the constants in our bounds are independent of the number of tokens. Furthermore, under a suitable adaptation to AdamW, the bounds become independent of the token embedding dimension.
Authors: Zhun Wang, Nico Schiller, Hongwei Li, Srijiith Sesha Narayana, Milad Nasr, Nicholas Carlini, Xiangyu Qi, Eric Wallace, Elie Bursztein, Luca Invernizzi, Kurt Thomas, Yan Shoshitaishvili, Wenbo Guo, Jingxuan He, Thorsten Holz, Dawn Song
Abstract: AI agents are rapidly gaining capabilities that could significantly reshape cybersecurity, making rigorous evaluation urgent. A critical capability is exploitation: turning a vulnerability, which is not yet an attack, into a concrete security impact, such as unauthorized file access or code execution. Exploitation is a particularly challenging task because it requires low-level program reasoning (e.g., about memory layout), runtime adaptation, and sustained progress over long horizons. Meanwhile, it is inherently dual-use, supporting defensive workflows while lowering the barrier for offense. Despite its importance and diagnostic value, exploitation remains under-evaluated. To address this gap, we introduce ExploitGym, a large-scale, diverse, realistic benchmark on the exploitation capabilities of AI agents. Given a program input that triggers a vulnerability, ExploitGym tasks agents with progressively extending it into a working exploit. The benchmark comprises 898 instances sourced from real-world vulnerabilities across three domains, including userspace programs, Google's V8 JavaScript engine, and the Linux kernel. We vary the security protections applied to each instance, isolating their impact on agent performance. All configurations are packaged in reproducible containerized environments. Our evaluation shows that while exploitation remains challenging, frontier models can successfully exploit a non-trivial fraction of vulnerabilities. For example, the strongest configurations are Anthropic's latest model Claude Mythos Preview and OpenAI's GPT-5.5, which produce working exploits for 157 and 120 instances, respectively. Notably, even with widely used defenses enabled, models retain non-trivial success rates. These results establish ExploitGym as an effective testbed for exploitation and highlight the growing cybersecurity risks posed by increasingly capable AI agents.
Authors: Giovanny A. M. Arboleda, Claudio D. T. de Souza, Carlos E. M. dos Anjos, Lessandro de S. S. Valente, Roosevelt de L. Sardinha, Albino Aveleda, Pablo M. Barros, Andr\'e Bulc\~ao, Alexandre G. Evsukoff
Abstract: Self-supervised learning (SSL) has emerged as a promising approach to seismic data denoising as it does not require clean reference data. In this work, the deployment of the Noisy-as-Clean (NaC) method was evaluated for real seismic data denoising under controlled conditions. Two independent seismic acquisitions, each comprising noisy and filtered data, were organized into four real datasets. The NaC SSL method was adapted to add real noise to the noisy input, controlled by a parameter. An experimental protocol with ten experiments was designed to compare different strategies for deploying the NaC SSL method with the supervised learning baseline, using identical network topology and hyperparameters. The models were evaluated in terms of denoising performance, computational cost, and generalization capability. The results show that the synthetic additive white Gaussian noise (AWGN) is inadequate for the denoising of seismic data within the NaC method, and performance strongly depends on the compatibility between the injected and actual noise characteristics. Furthermore, both the characteristics of the seismic data and the noise level influence the performance of the model. Self-supervised fine-tuning on test data has improved SSL performance, whereas no such gain was observed for fine-tuning of supervised models. Finally, NaC has shown to be a simple, effective, and model-independent method that offers a feasible solution for the denoising of real seismic data.
Authors: Corey Adams, Peter Harrington, Akshay Subramaniam, Mohammad Shoaib Abbas, Jaideep Pathak, Mike Pritchard, Sanjay Choudhry
Abstract: Scientific Machine Learning (SciML) faces unique challenges for extreme-resolution data, with mitigations that often fail to scale or degrade the accuracy of trained models. While some specialized methods have achieved remarkable results in training models or performing inference on massive spatial datasets with bespoke techniques, there is no generalized framework for parallelization over input data below batch size one per device. In this work we introduce ShardTensor: a novel paradigm of domain parallelism that enables flexible scaling of input data to arbitrary sizes. By decoupling the spatial dimensionality of input data from hardware constraints, ShardTensor enables scientific machine learning workloads to reach new levels of high fidelity training and inference. We demonstrate both strong and weak scaling of workloads during training and inference, showing improved latency with strong scaling and demonstrating the capacity to process higher data sizes with weak scaling. Additionally, we demonstrate multiple dimensions of parallelization, removing barriers to SciML on extreme-scale inputs.
Authors: Pedram Fekri, WenChen Li, William Chen, Peter Altamirano
Abstract: High Dynamic Range (HDR) generation remains challenging for generative models, which are largely limited to low dynamic range outputs. Recent diffusionbased approaches approximate HDR by generating multiple exposure-conditioned samples, incurring high computational cost and structural inconsistencies across exposures. We propose LatentHDR, a framework that decouples scene generation from exposure modeling in latent space. A pretrained diffusion backbone produces a single coherent scene representation, while a lightweight conditional latent to-latent head deterministically maps it to exposure-specific representations. This enables the generation of a dense, structurally consistent exposure stack in a single pass. This design eliminates multi-pass diffusion, ensures cross-exposure alignment, and enables scalable HDR synthesis. LatentHDR supports both textand image-conditioned HDR generation for perspective and panoramic scenes. Experiments on synthetic data and the SI-HDR benchmark show that LatentHDR achieves state-of-the-art dynamic range with competitive perceptual quality, while reducing computation by an order of magnitude. Our results demonstrate that high-quality HDR generation can be achieved through structured latent modeling, challenging the need for stochastic multi-exposure generation.
Authors: Fatima Z. Abacha, Sin G. Teo, Yuanxiang Wu, Lucas C. Cordeiro, Mustafa A. Mustafa
Abstract: Federated Learning remains highly susceptible to backdoor attacks--malicious clients inject targeted behaviours into the global model. Existing defenses suffer from substantial false-positive rates under realistic non-independent and identically distributed (non-IID) data, incorrectly flagging benign clients and degrading model accuracy even when adversaries are correctly identified. We present FedSurrogate, a novel backdoor defense that addresses this limitation by combining bidirectional gradient alignment filtering with layer-adaptive anomaly detection. FedSurrogate performs selective clustering on security-critical layers identified via directional divergence analysis, concentrating the detection signal on a low-dimensional subspace. A bidirectional soft-filtering stage screens trusted clients for residual contamination while rescuing false positives from suspects, substantially reducing misclassifications under heterogeneous conditions. Rather than removing confirmed malicious updates, FedSurrogate replaces them with downscaled surrogate updates from structurally similar benign clients, preserving gradient diversity while neutralising adversarial influence. Extensive evaluations demonstrate that FedSurrogate maintains false-positive rates below 10% across all datasets and attack types, compared to 31-32% for the nearest comparably effective baseline, while achieving superior main-task accuracy and maintaining attack success rates below 2.1% across all tested datasets and attack types under challenging non-IID settings.
Authors: Hayden Helm, Carey Priebe, Brandon Duderstadt
Abstract: Generative agents have proven to be powerful assistants in a wide variety of contexts. Given this success, users are now deploying agents with minimal restrictions in open ended, multi-agent environments. Current methods for monitoring the dynamics of open-ended multi-agent systems are limited to qualitative inspection. In this paper, we extend the process-theoretic notion of adaptive control charts to multi-agent systems to enable automated monitoring. Using simulation, we demonstrate that adaptive control charts are necessary for monitoring multi-agent systems that can learn from their environment. We further demonstrate, both empirically and theoretically, that adaptive control charts are susceptible to adversarial agents that defect sufficiently slowly. These results illustrate a fundamental tradeoff in multi-agent system control: either agents in a system cannot learn or the system is susceptible to adversaries.
Authors: Md Aminul Islam, Ahmed Sayeed Faruk, Sourav Medya, Elena Zheleva
Abstract: Collaborative filtering (CF) models based on graph neural networks (GNNs) achieve strong performance in recommender systems by propagating user-item signals over interaction graphs. However, they are highly susceptible to popularity bias, since skewed interaction distributions and repeated message passing across high-order neighborhoods amplify the influence of popular items while suppressing long-tail ones. Existing debiasing approaches, including re-weighting objectives, regularization, causal methods, and post-processing, are less effective in GNN-based settings because they do not directly counteract bias propagated through the aggregation process, and recent in-aggregation weighting methods often rely on static heuristics or unstable embedding estimates. We propose Debiasing Popularity Amplification in Aggregation (DPAA), a popularity debiasing framework for GNN-based CF that integrates adaptive, embedding-aware interaction weighting and layer-wise weighting directly into message passing. DPAA assigns interaction-level weights from a representation-aware popularity signal, stabilized by a smooth transition from pre-trained to evolving model embeddings during training. It further introduces a layer-wise weighting that amplifies higher-order neighborhoods, surfacing long-range interactions with diverse and underexposed items. Experiments on real-world and semi-synthetic datasets show that DPAA outperforms state-of-the-art popularity-bias correction methods for GNN-based CF.
Authors: Ramchand Kumaresan
Abstract: We decompose an evolutionary mixture-of-LoRA system on a from-scratch ~150M-parameter widened-D substrate (D=1536, V=32000; D/V approx 0.048; the "widened-1536" substrate) into three factors -- a router rewrite (parallel sigmoid gate with learnable per-adapter floor and bounded temperature anneal, fed post-stack hidden states rather than token-embedding means), a per-domain leave-one-out evaluation scope, and a lifecycle of death plus alpha-blend inheritance plus SVD mutation plus slot reallocation -- and report a 5-of-8 partial 2^3 factorial run at n=3 seeds and 25000 adaptation steps per cell. The attribution chain is sharp on this substrate: the router rewrite carries the entire +0.0426 nat balanced log-PPL improvement (Delta = log PPL_ref - log PPL_test, positive = improvement; t=12.86, p=0.006) attributed to "the full evolutionary system vs the static B3 baseline"; the headline full-system-vs-B3 balanced contrast itself is +0.015 nats, t=1.94, p=0.19 at n=3 and does not clear alpha=0.05. The per-domain evaluation scope is null at seed-resolution, and the lifecycle is a net drag of approx -0.028 nats (t=-4.46,p=0.047 in the primary chain). An auxiliary alpha=0 inheritance counterfactual at n=3 seeds is sign-inconsistent at the headline metric and underpowered for either an equivalence or load-bearing conclusion (corrected from an earlier arithmetic-mean aggregator that erroneously cleared inheritance; see Appendix B.11). A base-perturbation probe directionally refutes a "genomic-context" reframe of the lifecycle role. A controllable synthetic sandbox locates a substrate-conditional regime boundary: evolutionary search on the routing channel is load-bearing only when adapters are pre-aligned to the task; in every other regime tested it underperforms, ties, or actively degrades the gradient solution.
Authors: Hsing Wen Lin, Zong-Fu Sie
Abstract: Modern astrophysical studies rely heavily on complex data analysis pipelines; however, published descriptions often lack the detail required for computational reproducibility. In this work, we present an information-theoretic framework to quantify how effectively a method can be reconstructed from its written description. By treating algorithmic reconstruction as a probability distribution generated by Large Language Models (LLMs), we utilize Shannon entropy and Jensen-Shannon divergence to measure how strongly text constrains the hypothesis space of valid implementations. We demonstrate this approach through a case study of Trans-Neptunian Object (TNO) spectral reconstruction from sparse photometry. By prompting frontier LLMs with varying levels of manuscript text (Title, Abstract, and Methods), we find that while increasing text successfully clarifies the overall algorithmic structure, it fails to eliminate variance at the implementation level. This persistent variance establishes an "entropy floor," demonstrating that multiple divergent implementations remain consistent with explicit instructions. To evaluate practical reproducibility, we convert these reconstructed algorithms into executable pipelines. Our results reveal that, while LLMs easily recover core functional methodologies, they systematically fail to infer the tacit expert knowledge required for strict scientific calibration. This pilot study demonstrates that LLMs can be repurposed as a zero-shot diagnostic tool to audit methodological transparency, helping authors identify missing structural constraints and preserve scientific integrity in an era of automated research.
Authors: Nicholas Teh
Abstract: We study proportional representation in the temporal voting model, where collective decisions are made repeatedly over time over a fixed horizon. Prior work has extensively investigated how proportional representation axioms from multiwinner voting (e.g., justified representation (JR) and its variants) can be adapted, satisfied, and verified in this setting. However, much less is understood about their interaction with social welfare. In this work, we quantify the efficiency cost of enforcing proportionality. We formalize the welfare-proportionality tension via the worst-case ratio between the maximum achievable utilitarian welfare and the maximum welfare attainable subject to a proportionality axiom. We show that imposing proportional representation in the temporal setting can incur a growing, yet sublinear, welfare loss as the number of voters or rounds increases. We further identify a clean separation among axioms: for JR, the welfare loss diminishes as the time horizon grows and vanishes asymptotically, whereas for stronger axioms this conflict persists even with many rounds. Moreover, we prove that welfare maximization under each axiom is NP-complete and APX-hard, even under static preferences and bounded-degree approvals, and provide fixed-parameter algorithms under several natural structural parameters.
Authors: Cedric Flamant, Udaya Ghai, Kanna Shimizu
Abstract: Existing multi-model and tool-augmented systems communicate by generating text, serializing every exchange through the output vocabulary. Can two pretrained language models instead coordinate through a continuous, concurrent channel? The Bicameral Model couples two frozen language models through a trainable neural interface on their intermediate hidden states. At every generation step, both models run in lockstep: a primary model drives the task while an auxiliary model operates tools, solves constraints, or executes code, with both conditioning on each other's activations through a translation network and a learned suppression gate ($\sim$1\% of combined parameters). The gate learns a selective communication protocol from task loss alone, without a prescribed format. We demonstrate the mechanism across three tool backends. On arithmetic, coupling two 0.5B models with a calculator raises accuracy from 36\% to 96\%. On logic grid puzzles, coupling two 0.6B models with a Z3 solver achieves $1.7\times$ the unaugmented baseline on ZebraLogic. On mathematical reasoning, coupling with a Python sandbox enables the auxiliary to generate problem-specific code from hidden-state signals alone, without ever seeing the problem text.
Authors: A. Matseiko (Institute for Nuclear Research of the Russian Academy of Sciences), G. Plotnikov (Institute for Nuclear Research of the Russian Academy of Sciences), I. Kharuk (Institute for Nuclear Research of the Russian Academy of Sciences)
Abstract: We present a neural-network-based data processing pipeline for Baikal-GVD, designed to improve event reconstruction quality and accelerate neutrino candidates selection. The pipeline comprises three stages: fast suppression of extensive air shower events, suppression of noise optical modules activations, and extraction of high confidence neutrino candidates. All three networks employ a transformer architecture that exploits inter-hit correlations through the attention mechanism. Applied sequentially, the pipeline achieves orders-of-magnitude speedup over the standard reconstruction chain. Moreover, noise suppression neural network surpasses the accuracy of algorithmic noise suppression algorithms and provides estimate for time residuals of the signal hits, which is crucial for identification of track-like hits. We address the domain shift between Monte Carlo simulations and experimental data by incorporating a domain adaptation technique, demonstrating improved agreement between the two domains. The resulting framework enables near-real-time event classification, with direct applications to multi-messenger alert systems and diffuse neutrino flux measurements.
Authors: Kane Warrior, Dalia Chakrabarty
Abstract: Many three-dimensional spatial fields are anisotropic, with directions of rapid and slow variation that need not align with the coordinate axes. Standard Gaussian process kernels with Automatic Relevance Determination (ARD) capture only axis-aligned anisotropy, while generic full symmetric positive definite (SPD) metrics can represent rotated anisotropy but do not parameterise principal length-scales and directions directly. We introduce an interpretable rotationally anisotropic GP kernel that parameterises a three-dimensional SPD covariance metric using three principal length-scales and an explicit SO(3) rotation. The rotation is represented by an axis-angle vector and mapped to SO(3) via the Lie-algebra exponential map, giving unconstrained Euclidean coordinates for inference while always inducing a valid SPD metric. The construction spans the same family of three-dimensional SPD covariance metrics as a generic full-SPD parameterisation, but exposes the geometry differently: length-scales and orientation are explicit, interpretable, and directly available for prior specification and posterior summaries. We perform Bayesian inference on these quantities using Markov Chain Monte Carlo (MCMC), and characterise the resulting symmetries and weakly identified regimes. On synthetic data with rotated anisotropy, the posterior recovers the generating metric and improves prediction relative to an axis-aligned ARD baseline, while matching the predictive performance of a generic full SPD baseline. When the ground truth is axis-aligned, posterior mass concentrates near the identity rotation and predictive performance matches ARD. On a material-density dataset from a laboratory-fabricated nano-brick, the inferred metric reveals rotated anisotropy that is not captured by axis-aligned kernels.
Authors: Aidan Gleich, Eric Laber, Alexander Volfovsky
Abstract: Adaptive experimentation under unknown network interference requires solving two coupled problems: (i) learning the underlying dynamics of interference among units and (ii) using these dynamics to inform treatment allocation in order to maximize a cumulative outcome of interest (e.g. revenue). Existing adaptive experimentation methods either assume the interference network is fully known or bypass the network by operating on coarse cluster-level randomizations. We develop a Thompson sampling algorithm that jointly learns the interference network and adaptively optimizes individual-level treatment allocations via a Gibbs sampler. The algorithm returns both an optimized treatment policy and an estimate of the interference network; the latter supports downstream causal analyses such as estimation of direct, indirect, and total treatment effects. For additive spillover models, we show that total reward is linear in the treatment vector with coefficients given by an $n$-dimensional latent score. We prove a Bayesian regret bound of order $\sqrt{nT \cdot B \log(en/B)}$ for exact posterior sampling; empirically, our Gibbs-based approximate sampler achieves regret consistent with this rate and remains sublinear when the additive spillovers assumption is violated. For general Neighborhood Interference, where this reduction is unavailable, we analyze an explore-then-commit variant with $O(n^2 \log T)$ graph-discovery cost. An information-theoretic $\Omega(n \log T)$ lower bound complements both results. Empirically, our method achieves more than an order-of-magnitude reduction in regret in head-to-head comparisons. On two real-world networks, the algorithm achieves sublinear regret and yields downstream effect estimates with small RMSE relative to the truth.
Authors: Francesco Paissan, Luca Della Libera, Mirco Ravanelli, Cem Subakan
Abstract: Neural audio codecs provide compact discrete representations for speech generation and manipulation. However, most codecs organize tokens as frame-level sequences, making it difficult to study or intervene on global factors of variation. In this work, we propose the Latent Audio Tokenizer for Token-space Editing (LATTE) that appends a fixed set of learnable latent tokens to the audio feature sequence and retains only these tokens for quantization and decoding. This design produces a compact, non-temporally aligned bottleneck in which each token can aggregate global information across the full utterance. We show that the resulting tokenizer preserves competitive reconstruction quality in low-bitrate speech coding settings while enabling simple token-space interventions. In particular, we find that swapping selected latent token positions between utterances can modify global attributes, such as speaker identity and background noise, and we evaluate these interventions on voice conversion and denoising tasks. Our results suggest that compact latent audio tokenizers can support controllable audio manipulation without supervision in task-specific editing models.
Authors: Moxian Qian
Abstract: Trained lattice samplers are usually judged by the ensembles they generate. Here we instead analyze the trained field-space function itself: a flow-matching velocity, a diffusion score, or a normalizing-flow action residual. We project these functions onto operator bases fixed before the fit, chosen from symmetry, exact Gaussian path limits, finite-volume modes, and gauge covariance. For two-dimensional lattice \(\phi^4\), a trained straight-flow teacher is not described by a local force basis alone. After the local transport basis, the residual separates into a zero-mode Binder component and a lowest-shell finite-\(k\) correlator component. The deflated zero-mode polynomial \(P_5(M;t)\) reduces the dominant Binder-tail component, while \(\phi^\perp_{|n|^2=1}\) reduces the finite-\(k\) correlator component; wrong-parity, off-zero-mode, and random controls do not produce the same reductions. The same projection distinguishes other sampler classes. Diffusion follows the force-resolvent ordering predicted by the free theory, reverse-KL normalizing-flow collapse appears as a forbidden odd zero-mode residual, and gauge-equivariant teachers are resolved by Wilson-loop-force tangent directions. The operator basis is model- and symmetry-dependent, but the test is common: project the trained field-space function and retain sectors that lower held-out residuals and pass the available controls.
Authors: Yunze Zhao, Yibo Zhao, Yuchen Zhang, Zaoxing Liu, Michelle L. Mazurek
Abstract: LLM inference and serving systems have become security-critical infrastructure; however, many of their most concerning failures arise from the serving layer rather than from model behavior alone. Modern inference engines combine KV cache, batching, prefix sharing, speculative decoding, adapters, and multi-tenant scheduling, creating shared-state behavior that only emerges under realistic concurrent workloads and is missed by standard model, safety, and API tests. We present GRIEF, a greybox fuzzer for LLM inference engines that treats timed multi-request traces as first-class inputs, uses lightweight oracles to detect crashes, hangs, performance pathologies, and silent output corruption, and applies controlled replay with log-probability checks to confirm reproducible serving-layer failures. Across early campaigns on vLLM and SGLang, GRIEF discovers 15 vulnerabilities, 10 confirmed by engine developers, including 2 CVEs, spanning KV-cache isolation failures, cross-request performance interference, and crash or liveness bugs. These results show that concurrency, caching, and state reuse can induce silent cross-request contamination, noisy-neighbor denial of service, and delayed crashes without malformed inputs or explicit server errors, making concurrent serving behavior a first-class security and reliability boundary for LLM infrastructure.
Authors: Nivar Anwer, Hans Riess, Matthew Hale
Abstract: Local interaction laws governing multi-agent systems can be difficult to recover from trajectory data, even when the dynamics are observed faithfully. In systems governed by a nonlinear sheaf Laplacian -- a generalization of the graph Laplacian accommodating heterogeneous state spaces and asymmetric communication channels -- the coordination law is encoded by edge potential functions whose gradients produce the inter-agent forces. Because trajectory observations record node-state evolution, they expose only the aggregate effect of the edge forces at each node: distinct interaction laws that agree at the node level are indistinguishable from trajectory data alone. We show that the fundamental obstruction to recovery is topological, measured by sheaf cohomology, and that unique recovery from an unconstrained function class is possible if and only if this cohomology vanishes. When the obstruction is nontrivial, we show that recovery within a finite-dimensional parameterized class is possible precisely when a data-dependent information matrix is positive definite. Experiments validate the theory and illustrate that accurate trajectory reproduction need not certify recovery of the underlying interaction law.
Authors: Yaochen Rao, Farzaneh Jalalypour, N. M. Anoop Krishnan, Roc\'io Mercado
Abstract: Predictive models in biomedicine depend on structured assay data locked in the text, tables, and supplements of primary publications. This bottleneck is especially acute in targeted protein degradation (TPD), where each assay record must combine compound identity, degradation target, recruiter, assay context, and endpoint values reported across sections, tables, and supplementary files. Inconsistent compound identifiers and incomplete or implicit assay context further demand domain-specific logic that generic LLM pipelines do not provide. Existing molecular glue and PROTAC databases are manually curated and often lack the experimental context required for downstream modeling. We formulate TPD database extraction as a domain-specific curation task and present an expert-in-the-loop LLM workflow, evaluated through a triangular comparison among LLM predictions, standardized baseline records, and expert-annotated ground truth. A lightweight cross-validated prompt-refinement module adapts extraction instructions from scarce expert annotations. With only seven annotated molecular glue publications, the workflow achieved record-level $F_1 = 0.98$ and transferred to PROTACs by terminology substitution alone, maintaining record-level $F_1 > 0.93$. Applied at scale, it expanded molecular glue and PROTAC databases by 81% and 92% records, respectively, with 92% and 82.5% of newly recovered records validated as correct upon expert review. The workflow also recovered kinetic and assay-context information essential for cross-study potency comparison and condition-aware degradation modeling. We release the workflow, prompts, evaluation code, and extracted datasets as resources for TPD data curation and AI-assisted scientific curation more broadly.
Authors: Tuo Zhang, Alin-Ionut Popa, Yan Xu, Rui Song, Dimitrios Dimitriadis
Abstract: Large language model (LLM)-based agents frequently generate seemingly coherent plans that fail upon execution due to infeasible actions, constraint violations, and compounding errors over extended horizons. PIVOT (Plan-Inspect-eVOlve Trajectories) addresses this plan-execution misalignment through a self-supervised framework that treats trajectories as optimizable objects iteratively refined via environment interaction. The framework comprises four stages: PLAN generates candidate trajectories; INSPECT executes them and computes structured losses with textual gradients encoding plan-execution discrepancies; EVOLVE applies these signals to produce improved trajectories; and VERIFY performs a final global check against task constraints. A monotonic acceptance process ensures a non-decreasing solution quality. Empirical evaluations on DeepPlanning and GAIA demonstrate state-of-the-art performance: with human-in-the-loop (HITL) feedback, PIVOT establishes a strong upper bound up to 94% relative improvement in constraint satisfaction, while its fully autonomous variant retains substantial gains, showing that the core trajectory-refinement mechanism remains effective without external supervision. At the same time, PIVOT remains computationally efficient, requiring up to 3x to 5x fewer tokens than competing refinement methods. These findings establish that (self- or human-supervised) feedback-based trajectory optimization is a principled methodology for mitigating plan-execution gaps in autonomous agent systems.
Authors: Prathamesh Vasudeo Naik, Naresh Dintakurthi, Yue Wang
Abstract: Fraud detection and anti-money-laundering (AML) compliance are high-value domains for large language models (LLMs), but their serving requirements differ sharply from generic chat workloads. Compliance prompts are often prefix-heavy, schema-constrained, and evidence-rich, combining reusable policy instructions, risk taxonomies, transaction or document context, and short structured outputs such as JSON labels or risk factors. These properties make prefix reuse, KV-cache efficiency, runtime tuning, model orchestration, and output validation first-order systems concerns. This paper introduces a workload-aware LLMOps stack for fraud and AML workloads using self-hosted open-weight models such as Meta Llama and Alibaba Qwen. The stack combines vLLM-style runtime tuning, PagedAttention, Automatic Prefix Caching, multi-adapter serving, adapter and prompt-length-aware batching, sleep/wake lifecycle management, speculative decoding, and optional prefill/decode disaggregation. To avoid exposing institution-specific data, the reproducibility track converts public synthetic AML datasets, including IBM AML and SAML-D, into prefix-heavy compliance prompts with reusable policy text, transaction evidence, typology definitions, and schema-constrained outputs. We also incorporate an LLM-as-judge quality gate using deterministic compliance checks, reference metrics, expert-adjudicated calibration data where available, and multi-judge rubric scoring. Across public-synthetic AML workloads and controlled serving benchmarks, workload-aware tuning improved throughput from 612-650 to 3,600 requests/hour, reduced P99 latency from 31-38 seconds to 6.4-8.7 seconds, and increased GPU utilization from 12% to 78%. These results show that regulated LLM performance is a workload-design, serving-optimization, and quality-gating problem, not only a model-selection problem.
Authors: Charlotte Park, Kate Donahue, Manish Raghavan
Abstract: Generative AI models differ from traditional machine learning tools in that they allow users to provide as much or as little information as they choose in their inputs. This flexibility often leads users to omit certain details, relying on the models to infer and fill in under-specified information based on distributional knowledge of user preferences. Such inferences may privilege majority viewpoints and disadvantage users with atypical preferences, raising concerns about fairness. Unlike more traditional recommender systems, LLMs can explicitly solicit more information from users through natural language. However, while directly eliciting user preferences could increase personalization and mitigate inequality, excessive querying places a burden on users who value efficiency. We develop a stylized model of user-LLM interaction and develop an objective that captures tradeoff between user burden and preference representation. Building on the observation that individual preferences are often correlated, we analyze how AI systems should balance inference and elicitation, characterizing the optimal amount of information to solicit before content generation. Ultimately, we show that information elicitation can mitigate the systematic biases of preference inference, enabling the design of generative tools that better incorporate diverse user perspectives while maintaining efficiency. We complement this theoretical analysis with an empirical evaluation illustrating the model's predictions and exploring their practical implications.
Authors: Guiqiu Liao, Matja\v{z} Jogan, Daniel A. Hashimoto
Abstract: Dense prediction tasks in surgical computer vision, such as segmentation and surgical zone prediction, can provide valuable guidance for laparoscopic and robotic surgery. However, these models often suffer from distribution shifts, as training datasets rarely cover the variability encountered during deployment, leading to poor generalization. We propose DenseTRF, a self-supervised representation adaptation framework based on texture-centric attention. Our method leverages slot attention to learn texture-aware representations that capture invariant visual structures. By adapting these representations to the target distribution without supervision, DenseTRF significantly improves robustness to domain shifts. The framework is implemented through conditioning dense prediction on slot attention and model merging strategies. Experiments across multiple surgical procedures demonstrate improved cross-distribution generalization in comparison to state-of-the-art segmentation models and test-distribution adaptation methods for dense prediction tasks.
Authors: Zachary Lee, Maxwell Jacobson, Yexiang Xue
Abstract: Recent advances in Gaussian Splatting have enabled fast, high-fidelity 3D scene generation, yet these methods remain purely visual and lack an understanding of how shapes behave in the physical world. We introduce Physics-Guided 3D Gaussian Splatting (PG-3DGS), a framework that couples differentiable physics simulation with 3D Gaussian representations to generate 3D structures satisfying physics functionalities. By allowing physical objectives to guide the shape optimization process alongside visual losses, our approach produces geometries that are not only photometrically accurate but also physically functional. The model learns to adjust shapes so that the generated objects exhibit physically meaningful behaviors, for example, teapots that can pour and airplanes that can generate lift, without sacrificing visual quality. Experiments on pouring and aerodynamic lift tasks show that PG-3DGS improves physical functionality while preserving visual quality. In addition to simulation gains, bench-top physical lift tests with 3D-printed aircraft (Cessna, B-2 Spirit, and paper plane) under identical airflow conditions show higher scale-measured lift for PG-3DGS, generated structures than an appearance-matching baseline in all three cases. Our unified framework connects appearance-based reconstruction with physics-based reasoning, enabling end-to-end generation of 3D structures that both look realistic and function correctly.
Authors: Mohammad Azizmalayeri (on behalf of the NHR THI registration committee), Ameen Abu-Hanna (on behalf of the NHR THI registration committee), Saskia Houterman (on behalf of the NHR THI registration committee), Marije M. Vis (on behalf of the NHR THI registration committee), Giovanni Cin\`a (on behalf of the NHR THI registration committee)
Abstract: Background: External validation is essential for assessing the transportability of predictive models. However, its interpretation is often confounded by differences between external and development populations. This study introduces a framework to distinguish model deficiencies from case-mix effects. Method: We propose a framework that quantifies each external patient's similarity to the development data and measures performance in subgroups with varying levels of alignment to the development distribution. We use generative models, specifically autoencoders, to estimate similarity, offering a more flexible alternative to traditional linear approaches and enabling validation without sharing the original development data. The utility of autoencoder-based similarity measure is demonstrated using synthetic data, and the framework's application is illustrated using data from the Netherlands Heart Registration (NHR) to predict mortality after transcatheter aortic valve implantation. Results: Our framework revealed substantial variation in model performance across similarity-defined subgroups, differences that remain hidden under conventional external validation yet can meaningfully alter conclusions. In several settings, conventional external validation suggested poor overall performance. However, after accounting for differences in patient characteristics, for some sub-groups, the model performance was consistent with internal validation results. Conversely, apparently acceptable overall performance could mask clinically relevant performance deficits in specific subgroups. Conclusion: The proposed framework enhances the interpretability of external validation by linking model performance to population alignment with the development data. This provides a more principled basis for deciding whether a model is transportable and to which patients it can be safely applied.
Authors: Ajay Vikram Periasami, Junlin Wang, Bhuwan Dhingra
Abstract: Image-to-code generation tests whether a vision-language model (VLM) can recover the structure of an image enough to express it as executable code. Existing benchmarks either focus on narrow visual domains, depend on paired executable reference code, or rely on generic rubrics that miss domain-specific reconstruction errors. We introduce Vision2Code, a reference-code-free benchmark and evaluation framework for multi-domain image-to-code generation. Vision2Code contains 2,169 test examples from 15 source datasets that span charts and plots, geometry, graphs, scientific imagery, documents, and 3D spatial scenes. Models generate executable programs, which we render and score against the source image using a VLM rater with dataset-specific rubrics and deterministic guardrails for severe semantic failures. We report render-success diagnostics that separate code execution failures from reconstruction quality. Human validation shows that this evaluation protocol aligns better with human judgments than either a generic visual rubric or embedding-similarity baselines. Across nine open-weight and proprietary models, we find that image-to-code performance is domain-dependent: leading models perform well on regular chart- and graph-like visuals but remain weak on spatial scenes, chemistry, documents, and circuit-style diagrams. Finally, we show that evaluator-filtered model outputs can serve as training data to improve image-to-code capability, with Qwen3.5-9B improving from 1.60 to 1.86 on the benchmark without paired source programs. Vision2Code provides a reproducible testbed for measuring, diagnosing, and improving image-to-code generation. Our code and data are publicly available at https://image2code.github.io/vision2code/.
Authors: Srinivas Sridharan, Andy Balogh, Bradford M. Beckmann, Brian Coutinho, Louis Feng, Sheng Fu, Sanshan Gao, Mehryar Garakani, Taekyung Heo, David Kanter, Josh Ladd, Ziwei Li, Winston Liu, Changhai Man, Dan Mihailescu, Spandan More, Joongun Park, Ashwin Ramachandran, Vinay Ramakrishnaiah, Saeed Rashidi, Vijay Janapa Reddi, Puneet Sharma, Phio Tian, William Won, Hanjiang Wu, Huan Xu, Jinsun Yoo, Tushar Krishna
Abstract: The fast pace of artificial intelligence~(AI) innovation demands an agile methodology for observation, reproduction and optimization of distributed machine learning~(ML) workload behavior in production AI systems and enables efficient software-hardware~(SW-HW) co-design for future systems. We present Chakra, an open and portable ecosystem for performance benchmarking and co-design. The core component of Chakra is an open and interoperable graph-based representation of distributed AI/ML workloads, called Chakra execution trace~(ET). These ETs represent key operations, such as compute, memory, and communication, data and control dependencies, timing, and resource constraints. Additionally, Chakra includes a complementary set of tools and capabilities to enable the collection, analysis, generation, and adoption of Chakra ETs by a broad range of simulators, emulators, and replay tools. We present analysis of Chakra ETs collected on production AI clusters and demonstrate value via real-world case studies. Chakra has been adopted by MLCommons and has active contributions and engagement across the industry, including but not limited to NVIDIA, AMD, Meta, Keysight, HPE, and Scala, to name a few.
Authors: Han Meng (University of California, Merced), Danny Willow Liu (University of Chicago), Dong Li (University of California, Merced,Yotta Labs)
Abstract: Layerwise offloading reduces the GPU memory footprint of large diffusion transformer (DiT) inference by prefetching upcoming layers from host memory, but its effectiveness hinges on hiding prefetch latency behind per-layer computation. This assumption breaks down when the per-GPU compute workload is small. Moreover, on PCIe-only nodes, prefetch and inter-GPU collective communications such as all-reduce and all-to-all contend on the shared PCIe path, exposing prefetch latency even when compute would otherwise hide it. We revisit layerwise offloading as a co-scheduling problem between prefetch and communication, guided by a first-order analytical model that predicts when prefetch can be hidden by computation. Building on this model, we design ChunkFlow, a communication-aware, chunk-granular offloading runtime that adaptively yields to collective communication and smoothly trades GPU memory for prefetch volume. On three representative diffusion transformers running on two H100 GPUs over PCIe with Ulysses sequence parallelism, ChunkFlow delivers up to 1.28x step-time speedup over SGLang's existing layerwise offloading, reduces peak GPU memory by up to 49% over the no-offload baseline at near-identical step time once the workload is large enough, and exposes a tunable memory-latency tradeoff that recovers near-zero step-time overhead in the small-workload regime.
Authors: Drago Plecko
Abstract: Automated systems built on artificial intelligence (AI) are increasingly deployed across high-stakes domains, raising critical concerns about fairness and the perpetuation of demographic disparities that exist in the world. In this context, causal inference provides a principled framework for reasoning about fairness, as it links observed disparities to underlying mechanisms and aligns naturally with human intuition and legal notions of discrimination. Prior work on causal fairness primarily focuses on the standard machine learning setting, where a decision-maker constructs a single predictive mechanism $f_{\widehat Y}$ for an outcome variable $Y$, while inheriting the causal mechanisms of all other covariates from the real world. The generative AI setting, however, is markedly more complex: generative models can sample from arbitrary conditionals over any set of variables, implicitly constructing their own beliefs about all causal mechanisms rather than learning a single predictive function. This fundamental difference requires new developments in causal fairness methodology. We formalize the problem of causal fairness in generative AI and unify it with the standard ML setting under a common theoretical framework. We then derive new causal decomposition results that enable granular quantification of fairness impacts along both (a) different causal pathways and (b) the replacement of real-world mechanisms by the generative model's mechanisms. We establish identification conditions and introduce efficient estimators for causal quantities of interest, and demonstrate the value of our methodology by analyzing race and gender bias in large language models across different datasets.
Authors: Drago Plecko, Collin Wang, Elias Bareinboim
Abstract: The trustworthiness of AI decision-making systems is increasingly important. A key feature of such systems is the ability to provide recommendations for how an individual may reverse a negative decision, a problem known as algorithmic recourse. Existing approaches treat recourse outcomes as counterfactuals of a fixed unit, ignoring that real-world recourse involves repeated decisions on the same individual under possibly different latent conditions. We develop a causal framework that models recourse as a process over pre- and post-intervention outcomes, allowing for partial stability and resampling of latent variables. We introduce post-recourse stability conditions that enable reasoning about recourse from observational data alone, and develop a copula-based algorithm for inferring the effects of recourse under these conditions. For settings where paired observations of the same individual before and after intervention are available (called recourse data), we develop methods for inferring copula parameters and performing goodness-of-fit testing. When the copula model is rejected, we provide a distribution-free algorithm for learning recourse effects directly from recourse data. We demonstrate the value of the proposed methods on real and semi-synthetic datasets.
Authors: Wen-Ting Wang, Wei-Ying Wu, Hao-Yun Huang, Xuan-Chun Wang
Abstract: We present the Spatial Adapter, a parameter-efficient post-hoc layer that equips any frozen first-stage predictor with a structured spatial representation of its residual field and an induced closed-form spatial covariance. The adapter operates as a cascade second stage on residuals, jointly learning a spatially regularized orthonormal basis and per-sample scores via a tractable mini-batch ADMM procedure, without modifying any first-stage parameter. Because the first-stage parameters are frozen, the adapter does not retrain the backbone; its role is to supply a compressed distributional summary of the residual field. Smoothness, sparsity, and orthogonality together turn a generic low-rank factorization into an identifiable spatial representation whose induced residual covariance admits a closed-form low-rank-plus-noise estimator; the effective rank is determined data-adaptively by spectral thresholding, while the nominal rank K is an optimization-side upper bound only. This covariance enables kriging-style spatial prediction at unobserved locations, with plug-in uncertainty quantification as a secondary downstream use. Across synthetic data, Weather2K for spatial-holdout prediction, and GWHD patch grids as a basis-transferability diagnostic, the adapter recovers residual spatial structure when paired with frozen first stages from linear models to deep spatiotemporal and vision backbones; the added representation uses fewer than K(N+T) parameters alongside a compact residual-trend network.
Authors: Nishi Doshi, Urvi Oza, Pankaj Kumar
Abstract: Diabetic Retinopathy (DR) is an art and science of recording and classifying the retinal images of a diabetic patient. DR classification deals with classifying retinal fundus image into five stages on the basis of severity of diabetes. One of the major issue faced while dealing with DR classification problem is the large and varying size of images. In this paper we propose and explore the use of several downscaling algorithms before feeding the image data to a Deep Learning Network for classification. For improving training and testing; we amalgamate two datasets: Kaggle and Indian Diabetic Retinopathy Image Dataset. Our experiments have been performed on a novel Multi Channel Inception V3 architecture with a unique self crafted preprocessing phase. We report results of proposed approach using accuracy, specificity and sensitivity, which outperform the previous state of the art methods. Index Terms: Diabetic Retinopathy, Downscaling Algorithms, Multichannel CNN Architecture, Deep Learning
Authors: Armin Zarbaft, Ehsan Karimi, Nhut Le, Maryam Rahnemoonfar
Abstract: Rapid and accurate situational awareness is essential for effective response during natural disasters, where delays in analysis can significantly hinder decision-making. Training task-specific models for post-disaster assessment is often time-consuming and computationally expensive, making such approaches impractical in time-critical scenarios. Consequently, pretrained multimodal large language models (MLLMs) have emerged as a promising alternative for post-disaster visual question answering (VQA), a task that aims to answer structured questions about visual scenes by jointly reasoning over images and text. While these models demonstrate strong multimodal reasoning capabilities, their responses can be sensitive to prompt formulation, which can limit their reliability in real-world disaster assessment scenarios. In this paper, we investigate whether structured reasoning strategies can improve the reliability of pretrained MLLMs for post-disaster VQA. Specifically, we explore multiple prompting paradigms in which one MLLM is used to generate task-specific instructions that serve as Chain-of-Thought (CoT) guidance for a second MLLM. These instructions are incorporated during answer generation with varying degrees of in-context learning (ICL), enabling the model to leverage both explicit reasoning guidance and contextual examples. We conduct our evaluation on the FloodNet dataset and compare these approaches against a zero-shot baseline. Our results demonstrate that integrating instruction-driven CoT reasoning consistently improves answer accuracy.
Authors: Ethan David James Park, Dalal Alharthi
Abstract: Practitioners deploying multi-agent large language model (LLM) systems must currently choose between communication topologies such as chain, star, mesh, and richer variants without any pre-inference diagnostic for which topology will amplify drift, converge to consensus, or remain robust under perturbation. Existing evaluation answers these questions only post hoc and only for the task measured. We introduce a structural diagnostic for multi-agent LLM communication graphs based on the successor representation $M = (I - \gamma P)^{-1}$ of the row-stochastic communication operator, and we connect three of its spectral quantities, the spectral radius $\rho(M)$, the spectral gap $\Delta(M)$, and the condition number $\kappa(M)$, to three distinct failure modes. We derive closed-form spectra for the chain, star, and mesh under row-stochastic normalization, and validate the predictions on a 12-step structured state-tracking task with Qwen2.5-7B-Instruct over 100 independent trials. The condition number is a perfect rank-order predictor of empirical perturbation robustness ($r_s = 1.0$); the spectral gap partially predicts consensus dynamics ($r_s = 0.5$); and the spectral radius is perfectly \emph{inverted} with respect to cumulative error ($r_s = -1.0$). We trace this inversion to a regime in which linear spectra are blind to non-contracting bias drift, and we propose an affine-noise extension of the predictive map that recovers the empirical ordering. We read this as a first step toward representational, drift-aware structural diagnostics for multi-agent LLM systems, sitting alongside classical spectral and consensus theory.
Authors: Yanyan Zhang, Chaoda Song, Vikash Singh, Xinpeng Li, Kai Ye, Zhe Hu, Zhongzhu Pu, Yu Yin, Vipin Chaudhary
Abstract: Vision-Language-Action (VLA) models achieve remarkable flexibility and generalization beyond classical control paradigms. However, most prevailing VLAs are trained under a single-frame observation paradigm, which leaves them structurally blind to temporal dynamics. Consequently, these models degrade severely in non-stationary scenarios, even when trained or finetuned on dynamic datasets. Existing approaches either require expensive retraining or suffer from latency bottlenecks and poor temporal consistency across action chunks. We propose Pace-and-Path Correction, a training-free, closed-form inference-time operator that wraps any chunked-action VLA. From a single quadratic cost, joint minimization yields a unified solution that decomposes orthogonally into two distinct channels. The pace channel compresses execution along the planned direction, while the path channel applies an orthogonal spatial offset, jointly absorbing the perceived dynamics within the chunk window. We evaluate our approach on a comprehensive diagnostic benchmark MoveBench designed to isolate motion as the sole controlled variable. Empirical results demonstrate that our framework consistently outperforms state-of-the-art training-free wrappers and dynamic-adaptive methods and improves success rates by up to 28.8% and 25.9% in absolute terms over foundational VLA models in dynamic-only and static-dynamic mixed environments, respectively.
Authors: Haoxuan Chen, Tianming Liang, Wei-Shi Zheng, Jian-Fang Hu
Abstract: Reinforcement learning with verifiers (RLVR) has become a central paradigm for improving LLM reasoning, yet popular group-based optimization algorithms like GRPO often suffer from exploration collapse, where the models prematurely converge on a narrow set of high-scoring patterns, lacking the ability to explore new solutions. Recent efforts attempt to alleviate this by adding entropy regularization or diversity bonus. However, these approaches do not change the \textit{winner-takes-all} nature, where rollouts still compete for individual advantage rather than cooperating for maximizing global diversity. In this work, we propose Group Cooperative Policy Optimization (GCPO), which shifts the training paradigm from rollout competition to team cooperation. Specifically, GCPO replaces independent rollout scoring with team-level credit assignment: a rollout is rewarded by how much it contributes to the team's valid solution coverage, rather than its individual accuracy. This coverage is described as a determinant volume over reward-weighted semantic embeddings, where only correct and non-redundant rollouts contribute to this volume. During advantage estimation, GCPO redistributes the collective team reward to each single rollout according to its average marginal contribution to the team. This cooperative training paradigm routes optimization toward non-redundant correct reasoning paths. Experiments across multiple reasoning benchmarks demonstrate that GCPO significantly improves both reasoning accuracy and solution diversity over existing approaches. Code will be released at $\href{https://github.com/bradybuddiemarch/gcpo}{this}$.
Authors: Yuanpeng Li, Gefei Lin, Annie Qu, Rui Miao
Abstract: Soft Actor-Critic (SAC) and its variants dominate Multi-Task Reinforcement Learning (MTRL) due to their off-policy sample efficiency, while on-policy methods such as Proximal Policy Optimization (PPO) remain underexplored. We diagnose that PPO in MTRL suffers from a previously overlooked issue: critic-side gradient ill-conditioning, which may cause tail tasks to stall while easy tasks dominate the value function's updates. To address this, we propose TOPPO (Tail-Optimized PPO), a reformulation of PPO via Critic Balancing -- a set of modules that improve gradient conditioning and balance learning dynamics across tasks. Unlike prior approaches that rely on modular architectures or large models, TOPPO targets the optimization bottleneck within PPO itself. Empirically, TOPPO achieves stronger mean and tail-task performance than published SAC-family and ARS-family baselines while using substantially fewer parameters and environment steps on Meta-World+ benchmark. Notably, TOPPO matches or surpasses strong SAC baselines early in training and maintains superior performance at full budget. Ablations confirm the effectiveness of each module in TOPPO and provide insights into their interactions. Our results demonstrate that, with proper optimization, on-policy methods can rival or exceed off-policy approaches in MTRL, challenging the prevailing reliance on SAC and highlighting critic-side gradient conditioning as the central bottleneck.
Authors: Varad Vishwarupe, Nigel Shadbolt, Marina Jirotka, Ivan Flechais
Abstract: Recent published evidence from frontier laboratories shows that contemporary AI models can recognise evaluation contexts, latently represent them, and behave differently under those contexts than under deployment-continuous conditions. Anthropic's BrowseComp incident, the Natural Language Autoencoder findings on SWE-bench Verified and destructive-coding evaluations, and the OpenAI / Apollo anti-scheming work all document instances of this phenomenon. We argue that these findings create a claim-validity problem for safety conclusions drawn from frontier evaluations. We introduce the Evaluation Differential (ED), a conditional divergence in a target behavioural property between recognised-evaluation and deployment-continuous contexts, define a normalised effect-size form (nED) for cross-property comparison, and prove that marginal evaluation scores cannot identify ED. We develop a typology of safety claims (ED-stable, ED-degraded, ED-inverted, ED-undetermined) by their warrant-status under documented divergence, and specify TRACE (Test-Recognition Audit for Claim Evaluation), an audit protocol that wraps existing evaluation infrastructure and produces restricted claims rather than capability scores. We apply the framework retrospectively to three publicly documented evaluation incidents and discuss governance implications for system cards, conformity assessment, and the international network of AI safety and security institutes. TRACE does not eliminate adversarial adaptation; it disciplines the claims drawn from evaluation evidence by making explicit the conditions under which that evidence was produced.
Authors: Zijiang Yan, Hao Zhou, Wael Jaafar, Jianhua Pei, Ping Wang, Halim Yanikomeroglu, Hina Tabassum
Abstract: Uncrewed aerial vehicles (UAVs) are increasingly deployed in complex networked environments, yet the joint optimization of multi-UAV motion control and connectivity remains a fundamental challenge. In this paper, we study a multi-UAV system operating in an integrated terrestrial and non-terrestrial network (ITNTN) comprising terrestrial base stations and high-altitude platform stations (HAPS). We consider a three-dimensional (3D) aerial highway scenario where UAVs must adapt their motion to ensure collision avoidance, efficient traffic flow, and reliable communication under dynamic and partially observable conditions. We first model the problem as a hierarchical multi-objective partially observable Markov decision process (H-MO-POMDP), capturing the coupling between control and communication objectives. Based on this formulation, we propose a large language model (LLM)-driven hierarchical multi-rate control framework. At the global level, an LLM-based controller on the HAPS performs long-term planning for load balancing and handover decisions. At the local level, each UAV employs a hybrid controller that integrates a slow-timescale LLM for high-level spatial reasoning with a reinforcement learning agent for faster UAV-to-infrastructure (U2I) communication and motion control. We further develop a high-fidelity 3D simulation platform by integrating the gym-pybullet-drones environment with 3GPP-compliant RF/THz channel models. Numerical results demonstrate that the proposed framework significantly outperforms state-of-the-art baselines, achieving a 14% increase in transportation efficiency and a 25% improvement in telecommunication throughput. Additionally, it achieves a 23% reduction in physical collision rates, demonstrating strong handover stability and zero-shot generalization in dynamic scenarios.
Authors: Shuichi Nishino, Tomohiro Shiraishi, Teruyuki Katsuoka, Ichiro Takeuchi
Abstract: The validity of statistical inference depends critically on how data are collected. When data gathered through active data collection (ADC) are reused for a post-hoc inferential task, conventional inference can fail because the sampling is adaptively biased toward regions favored by the collection strategy. This issue is especially pronounced in black-box optimization, where sequential model-based optimization (SMBO) methods such as the tree-structured Parzen estimator (TPE) and Gaussian process upper confidence bound (GP-UCB) preferentially concentrate evaluations in promising regions. We study statistical inference on actively collected data when the inferential target is constructed in a data-dependent manner after data collection. To enable valid inference in this setting, we propose post-ADC inference, a framework that accounts for the biases arising from both the active data collection process and the subsequent data-driven target construction. Our method builds on selective inference and provides valid $p$-values and confidence intervals that correct for both sources of bias. The framework applies to a broad class of ADC processes by imposing only assumptions on the observation noise, without requiring any assumptions on the underlying black-box function or the surrogate model used by the SMBO algorithm. Empirical results also show that post-ADC inference provides valid inference for data collected by GP-UCB and TPE.
Authors: Taicheng Guo, Nitesh V. Chawla, Olaf Wiest, Xiangliang Zhang
Abstract: Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.
Authors: Guy Tennenholtz, Ofer Meshi, Amir Globerson, Uri Shalit, Jihwan Jeong, Craig Boutilier
Abstract: Using offline datasets to evaluate conversational agents often fails to cover rare scenarios or to support testing new policies. This has motivated the use of controllable user simulators for targeted, counterfactual evaluation, typically implemented by prompting or fine-tuning large language models. In this work, we formalize controllable simulation as a causal inference problem. By bridging natural language evaluation with off-policy evaluation methodology, we show that the standard practice of training simulators via supervised fine-tuning on post-hoc trajectory labels yields a structurally biased model. Specifically, these labels are inextricably coupled to the data-generating behavior policy, injecting a look-ahead bias that breaks causal consistency. Furthermore, we prove that under policy shift this failure causes the variance of evaluation metrics to explode geometrically, a phenomenon we term controllability collapse. To restore causal consistency, we establish theoretical conditions for accurate simulation and propose practical training mitigations: a priori controls, step-wise dynamic controls, and direct policy-conditioned learning. Empirical evaluation confirms that while standard global controls distort conversational distributions and collapse behavioral diversity, our causally grounded simulators eliminate look-ahead bias, preserve natural variance, and exhibit robust zero-shot generalization to unseen agent behaviors.
Authors: Zonglin Yang, Zhexuan Gu, Yancheng Yuan
Abstract: Training a deep neural network with the outputs of selected layers satisfying linear constraints is required in many contemporary data-driven applications. While this can be achieved by incorporating projection layers into the neural network, its end-to-end training remains challenging due to the lack of rigorous theory and efficient algorithms for backpropagation. A key difficulty in developing the theory and efficient algorithms for backpropagation arose from the nonsmoothness of the solution mapping of the projection layer. To address this bottleneck, we introduce an efficiently computable HS-Jacobian to the projection layer. Importantly, we prove that the HS-Jacobian is a conservative mapping for the projection operator onto the polyhedral set, enabling its seamless integration into the nonsmooth automatic differentiation framework for backpropagation. Therefore, many efficient algorithms, such as Adam, can be applied for end-to-end training of deep neural networks with linear constraints. Particularly, we establish convergence guarantees of the HS-Jacobian based Adam algorithm for training linearly constrained deep neural networks. Extensive experiment results on several important applications, including finance, computer vision, and network architecture design, demonstrate the superior performance of our method compared to other existing popular methods.
Authors: Takuro Kutsuna, Noriko N. Ishizaki, Norihiro Oyama, Hiroaki Yoshida
Abstract: Physics-based climate projections using general circulation models are essential for assessing future risks, but their coarse resolution limits regional decision-making. Statistical downscaling can efficiently add detail, yet many methods treat variables independently, degrading inter-variable relationships that govern compound hazards such as heat stress, drought, and wildfire. Here we show that a diffusion-based multivariate generative framework, combined with bias correction, recovers degraded inter-variable correlations even under a 50$\times$ increase in linear resolution. When applied to five meteorological variables over Japan, the framework reduces inter-variable correlation errors by more than fourfold relative to existing baselines while improving both univariate and spatial accuracy, leading to more accurate detection of severe drought. These results demonstrate that multivariate generative downscaling improves the reliability of compound risk assessment under large resolution gaps.
Authors: Cheng Wang, Qin Liu, Wenxuan Zhou, Muhao Chen
Abstract: Group Relative Policy Optimization (GRPO) has emerged as a promising approach for improving the reasoning capabilities of large language models. However, it struggles to effectively balance the tradeoff between exploration and exploitation during training, often resulting in suboptimal performance. Motivated by the theoretical insight that changes in entropy are governed by the covariance between token probabilities and their corresponding advantages, we propose a hyperparameter-free, covariance-weighted optimization method that dynamically down-weights extreme token-level updates via a Gaussian kernel. This approach automatically reduces the instability caused by exploration-exploitation trade-off while preserving informative learning signals. Extensive empirical evaluations show that our approach improves downstream performance across reasoning benchmarks compared with GRPO, and effectively stablizes entropy as training progresses.
Authors: Shengjie Wang, Guanghe Li, Zonghan Yang, Yang Gao
Abstract: Solving complex long-horizon tasks requires strong planning and reasoning capabilities. Although datasets with explicit chain-of-thought (CoT) rationales can substantially benefit learning, they are costly to obtain. To address this challenge, we propose Hindsight Hint Distillation (HHD), which only requires easy-to-obtain question-answer pairs without CoT annotations. Inspired by how human teachers use student mistakes to provide targeted guidance, HHD synthesizes hindsight hints from the model's own failed self-rollouts and uses them to scaffold on-policy rollouts that successfully complete the tasks. The model then self-distills these scaffolded trajectories and generalizes to new problems without hint guidance. Experiments show that HHD significantly outperforms iterative RFT and trajectory-synthesis baselines, achieving an absolute improvement of 8\% on SWE-bench Verified, while all baselines improve by only around 2\%. Notably, the reasoning strategies induced by HHD generalize effectively to out-of-distribution tasks, yielding the largest gains on SWE-bench Multilingual despite no training on multilingual data. These results demonstrate that HHD can effectively synthesize expert-like reasoning from CoT-free data and substantially improve long-horizon performance.
Authors: ASM Nazrul Islam, Md. Hasanul Kabir, Md. Liakot Ali, Joydeb Kumar Sana
Abstract: Accurate short-term demand forecasting is crucial to airline revenue management, yet most existing systems fail to meet this need because current models treat booking data as a single temporal dimension, either the accumulation of bookings for a specific flight or the historical booking profile of the same route. This unidimensional view discards information carried by the other temporal stream and forecasting absolute passenger counts introduces a further operational fragility when change in planned aircraft type alters total seat capacity. This study addresses both limitations. A dual-stream Long Short-Term Memory (LSTM) integrated with attention framework is proposed that simultaneously processes two complementary input sequences: a horizontal sequence capturing intra-flight booking accumulation over the days preceding departure, and a vertical sequence capturing inter-flight booking patterns at fixed days-before-departure offsets across historical flights. Multiple dual-stream architectural variants, combining self-attention, cross-attention, and hybrid attention with concatenation, residual, and gated fusion strategies, are developed and evaluated. Experiments on real-world reservation data from the national airline of Bangladesh, Biman Bangladesh Airlines (BBA), demonstrate that the proposed hybrid model achieves a Mean Absolute Error of 2.8167 and a coefficient of determination ($R^{2}$) of 0.9495, outperforming single-stream baselines, tree-based models, and three prior dual-LSTM architectures applied to the same data. Validation across four flight category pairs; domestic versus international, direct versus transit, high versus low frequency, and short versus mid versus long haul confirms that the model generalizes across operationally diverse route types. Biman Bangladesh Airlines (BBA) has officially integrated this methodology into its operations.
Authors: Pruthvinath Jeripity Venkata
Abstract: The literature on how large language models handle conflict between their training knowledge and a contradicting document presents a persistent empirical contradiction: some studies find models stubbornly retain their trained answers, ignoring provided documents nearly half the time, while others find models readily defer to the document, following context approximately 96% of the time. We argue these contradictions dissolve once one recognises that prior experiments have studied three qualitatively distinct processing situations without distinguishing them. We propose a three-regime framework: Regime 1 (single-source updating, dominant predictor: evidence coherence), Regime 2 (competitive integration, dominant predictor: parametric certainty), and Regime 3 (task-appropriate selection, dominant predictor: task knowledge requirement). We formalise a distinction between parametric strength (exposure frequency) and parametric uniqueness (encoding consistency), showing empirically that these are orthogonal dimensions (r = -0.002, p = .97) with strength as the operative predictor in stable factual domains. We validate the framework across Claude Sonnet 4.6, GPT-5.5, Gemini 2.5 Flash, Llama 4 Maverick, and DeepSeek V3 using 9,970 API calls in three experimental phases. GEE logistic regression confirms the predicted Regime 2 certainty gradient for all five models (beta = -0.38 to -0.50, all p <= .013, BH-FDR corrected). A Regime 3 ablation shows task framing alone flips context-following from near-100% (contextual knowledge condition) to 6-71% (parametric knowledge condition), with all five models significant (p < .001). The certainty gradient is robust to multinomial outcome modeling, sensitivity analyses for hedging responses, and FDR correction.
Authors: Tal Oved, Efrat Shimron
Abstract: Modern low-field magnetic resonance imaging (MRI) technology offers a compelling alternative to standard high-field MRI, with portable, low-cost systems. However, its clinical utility is limited by a low Signal-to-Noise Ratio (SNR), which hampers diagnostic image quality. A common approach to increase SNR is through repetitive signal acquisitions, known as NEX, but this results in excessively long scan durations. Although recent work has introduced methods to accelerate MRI scans through k-space sampling optimization, the NEX dimension remains unexploited; typically, a single sampling mask is used across all repetitions. Here we introduce NexOP, a deep-learning framework for joint optimization of the sampling and reconstruction in multi-NEX acquisitions, tailored for low-SNR settings. NexOP enables optimizing the sampling density probabilities across the extended k-space-NEX domain, under a fixed sampling-budget constraint, and introduces a new deep-learning architecture for reconstructing a single high-SNR image from multiple low-SNR measurements. Experiments with raw low-field (0.3T) brain data demonstrate that NexOP consistently outperforms competing methods, both quantitatively and qualitatively, across diverse acceleration factors and tissue contrasts. The results also demonstrate that NexOP yields non-uniform sampling strategies, with progressively decreasing sampling across repetitions, hence exploiting the NEX dimension efficiently. Moreover, we present a theoretical analysis supporting these numerical observations. Overall, this work proposes a sampling-reconstruction optimization framework highly suitable for low-field MRI, which can enable faster, higher-quality imaging with low-cost systems and contribute to advancing affordable and accessible healthcare.
Authors: Shota Saito, Yuta Nakahara, Kohei Horinouchi, Naoki Ichijo, Manabu Kobayashi, Toshiyasu Matsushima
Abstract: This paper addresses the problem of image denoising for grayscale images. We propose a probabilistic image generative model that combines a quadtree region-partitioning model with a mixture autoregressive model, and propose a framework that reduces MAP (maximum a posteriori)-estimation-based denoising to the maximization of a variational lower bound. To maximize this lower bound, we develop an algorithm that alternately applies variational Bayes and gradient methods. We particularly demonstrate that the gradient-based update rule can be computed analytically without numerical computation or approximation. We carried out some experiments to verify that the proposed algorithm actually removes image noise and to identify directions for future improvement.
Authors: Haoran Hu, Xingce Wang
Abstract: Probabilistic partial least squares (PPLS) is a central likelihood-based model for two-view learning when one needs both interpretable latent factors and calibrated uncertainty. Building on the identifiable parameterization of Bouhaddani et al.\ (2018), existing fitting pipelines still face two practical bottlenecks: noise--signal coupling under joint EM/ECM updates and nontrivial handling of orthogonality constraints. Following the fixed-noise scalar-likelihood line of Hu et al.\ (2025), we develop an end-to-end framework that combines noise pre-estimation, constrained likelihood optimization, and prediction calibration in one pipeline. Relative to Hu et al.\ (2025), we replace full-spectrum noise averaging with noise-subspace estimation and replace interior-point penalty handling with exact Stiefel-manifold optimization. The noise-subspace estimator attains a signal-strength-independent leading finite-sample rate and matches a minimax lower bound, while the full-spectrum estimator is shown to be inconsistent under the same model. We further extend the framework to sub-Gaussian settings via optional Gaussianization and provide closed-form standard errors through a block-structured Fisher analysis. Across synthetic high-noise settings and two multi-omics benchmarks (TCGA-BRCA and PBMC CITE-seq), the method achieves near-nominal coverage without post-hoc recalibration, reaches Ridge-level point accuracy on TCGA-BRCA at rank $r=3$, matches or exceeds PO2PLS on cross-view prediction while providing native calibrated uncertainty, and improves stability of parameter recovery.
Authors: Chieh-Yen Lin, Shao-Hua Sun
Abstract: Comparing post-training LLM variants, such as quantized, LoRA-adapted, and distilled models, requires a diagnostic that identifies how a variant has drifted, not only whether it has degraded. Existing similarity scores such as CKA and SVCCA can flag degradation, but they do not directly link representation drift to risk or mechanism. We propose PRISM, Proxy Risk Inference via Structural Mapping, which exploits the linear output head of LLMs and the empirically near-isometric structure of their backbones to derive a closed-form upper bound on the cross-entropy risk gap between a target model and a post-training variant. The bound is calibrated for variant ranking and decomposes drift into three independently measurable axes: scale mismatch, shape mismatch, and head divergence. Each axis corresponds to a distinct failure mode, including shape distortion under low-bit quantization, scale separability under LoRA forgetting, and head divergence under GGUF k-quantization. As a result, the dominant axis suggests a remediation direction rather than merely raising a degradation flag. Because the shape term is differentiable, the same geometry can also serve as a training-time regularizer against catastrophic forgetting. Across two model families and five benchmarks, PRISM ranks variants with mean Spearman correlations of 0.820 for post-training quantization and 0.831 for LoRA forgetting, and its axis-guided shape regularizer outperforms experience replay in aggregate at mitigating downstream forgetting.
Authors: Xiaoning Wang, Yuyang Huo, Liuhua Peng, Changliang Zou
Abstract: $U$-statistics play a central role in statistical inference. In many modern applications, however, acquiring the labels required for $U$-statistics is costly. Motivated by recent advances in active inference, we develop an active inference framework for $U$-statistics that selectively queries informative labels to improve estimation efficiency under a fixed labeling budget, while preserving valid statistical inference. Our approach is built on the augmented inverse probability weighting $U$-statistic, which is designed to incorporate the sampling rule and machine learning predictions. We characterize the optimal sampling rule that minimizes its variance and design practical sampling strategies. We further extend the framework to $U$-statistic-based empirical risk minimization. Experiments on real datasets demonstrate substantial gains in estimation efficiency over baseline methods, while maintaining target coverage.
Authors: Takayuki Kuriyama
Abstract: We study positive-data learning of bounded-fan-out linear multiple context-free grammars under a fixed explicit finite monoid homomorphism \(h\). The main obstacle beyond the context-free case is that an MCFG nonterminal derives a tuple whose components may be placed in a surrounding sentence in different orders. We introduce sentence-interface types as finite external control objects for such tuple occurrences. A type records the permutation of tuple components in the final sentence together with the \(h\)-values of the boundary intervals between them. For reduced working binary linear nondeleting MCFG presentations whose string languages satisfy \((f,h)\)-tuple substitutability, we build a typed refinement, a finite characteristic sample, and a canonical positive-data learner. Once the sample contains this characteristic sample and remains contained in the target language, the learner reconstructs the language exactly. Consequently, for fixed fan-out bound \(f\) and fixed explicit \(h\), the resulting class is identifiable in the limit from positive data. Moreover, the hypothesis associated with any given finite sample is constructible in polynomial time for fixed \(f\) and fixed \(h\), including output size. Thus sentence-interface control is the finite mechanism that lifts fixed-\(h\) distributional reconstruction from context-free grammars to bounded-fan-out linear MCFGs.
Authors: Lake Yang, Junwei Su, Jingfeng Zeng, Wenhao Lu, Xingzhi Qian, Weitong Zhang, Chuan Wu, Dunhong Jin
Abstract: Herding -- where agents align their behaviors and act collectively -- is a central driver of market fragility and systemic risk. Existing approaches to quantify herding rely on price-correlation statistics, which inherently lag because they only detect coordination after it has already moved realised returns. We propose GeomHerd, a forward-looking geometric framework that bypasses this observability lag by quantifying coordination directly on upstream agent-interaction graphs. To generate these graphs, we treat a heterogeneous LLM-driven multi-agent simulator -- each financial trader instantiated by a persona-conditioned LLM call -- as a forecastable world, and evaluate the geometric pipeline on the Cividino--Sornette continuous-spin agent-based substrate as our headline financial testbed. By tracking the discrete Ollivier--Ricci curvature of these action graphs, GeomHerd captures the structural topology of emerging coordination. Theoretically, we establish a mean-field bridge mapping our graph-theoretic metric to CSAD, the classical macroscopic herding statistic, linking GeomHerd to downstream price-dispersion measurement. Empirically, GeomHerd anticipates herding long before aggregate market baselines: on the continuous-spin substrate, our primary detector fires a median of 272 steps before order-parameter onset; a contagion detector ($\beta_{-}$) recalls 65% of critical trajectories 318 steps early; and on co-firing trajectories the agent-graph signal precedes price-correlation-graph baselines by 40 steps. As a complementary indicator, the effective vocabulary of agent actions contracts during cascades. The geometric signature transfers out-of-domain to the Vicsek self-driven-particle model, and a curvature-conditioned forecasting head reduces cascade-window log-return MAE over detector-conditioned and price-only baselines.
Authors: Jeunghun Oh, Kyeongwon Lee, Jaeyong Lee, Lizhen Lin
Abstract: We study posterior contraction rates for sparse Bayesian Kolmogorov-Arnold networks (KANs) over anisotropic Besov spaces, providing a statistical foundation of KANs from a Bayesian point of view. We show that sparse Bayesian KANs equipped with spike-and-slab-type sparsity priors attain the near-minimax posterior contraction. In particular, the contraction rate depends on the intrinsic anisotropic smoothness of the underlying function. Moreover, by placing a hyperprior on a single model-size parameter, the resulting posterior adapts to unknown anisotropic smoothness and still achieves the corresponding near-minimax rate. A distinctive feature of our results, compared with those for standard sparse MLP-based models, is that the KAN depth can be kept fixed: owing to the flexibility of learnable spline edge functions, the required approximation complexity is controlled through the network width, spline-grid range and size, and parameter sparsity. Our analysis develops theoretical tools tailored to sparse spline-edge architectures, including approximation and complexity bounds for Bayesian KANs. We then extend to compositional Besov spaces and show that the contraction rates depend on layerwise smoothness and effective dimension of the underlying compositional structure, thereby effectively avoiding the curse of dimensionality. Together, the developed tools and findings advance the theoretical understanding of Bayesian neural networks and provide rigorous statistical foundations for KANs.
Authors: Sunung Mun, Sunghyun Cho, Jungseul Ok
Abstract: Recent text-to-image (T2I) generators can synthesize realistic images, but still struggle with compositional prompts involving multiple objects, counts, attributes, and relations. We introduce EPIC (Efficient Predicate-Guided Inference-Time Control), a training-free inference-time refinement framework for compositional T2I generation. EPIC casts refinement as predicate-guided search: it parses the original prompt once into a fixed visual program of object variables and typed predicates, covering checkable conditions such as object presence, counts, attributes, and relations. Each generated or edited image is verified against this program using visual evidence extracted from that image. An image is judged to satisfy the prompt only when all predicates are satisfied; otherwise, failed predicates decide the next step, routing local failures to targeted editing and global failures to resampling while the fixed visual program remains unchanged. On GenEval2, EPIC improves prompt-level accuracy from 34.16% for single-pass generation with the base generator to 71.46%. Under the same generator/editor setting and maximum image-model execution budget, EPIC outperforms the strongest prior refinement baseline by 19.23 points while reducing realized cost by 31% in image-model executions, 72% in MLLM calls, and 81% in MLLM tokens per prompt.
Authors: SeongMin Jin, Doo Seok Jeong
Abstract: Learning latent representations that capture both semantic and spatial information is central to efficient spatio-semantic reasoning. However, many existing approaches rely on implicit latent structures combined with dense feature maps or task-specific heads, limiting computational efficiency and flexibility. We propose WorldComp2D, a novel lightweight representation learning framework that explicitly structures latent space geometry according to object identity and spatial proximity using multiscale local receptive fields. This framework consists of (i) a proximity-dependent encoder that maps a given observation into a spatio-semantic latent space and (ii) a localizer that infers the coordinates of objects in the input from the resulting spatio-semantic representation. Using facial landmark localization as a proof-of-concept, we show that, compared to SoTA lightweight models, WorldComp2D reduces the numbers of parameters and FLOPs by up to 4.0X and 2.2X, respectively, while maintaining real-time performance on CPU. These results demonstrate that explicitly structured latent spaces provide an efficient and general foundation for spatio-semantic reasoning. This framework is open-sourced at https://github.com/JinSeongmin/WorldComp2D.
Authors: Xianpeng Shang, Jiang Li, Zehua Duo, Qianyi Cai, Xiangdong Su
Abstract: Transformer-based large language models face severe scalability challenges in long-context generation due to the computational and memory costs of full-context attention. Under practical computation and memory constraints, many inference-efficient long-context methods improve efficiency by adopting bounded-context or segment-level execution only during inference, while continuing to train models under full-context attention, resulting in a mismatch between training and inference execution and state-transition semantics. Based on this insight, we propose a training-inference consistent segment-level generation framework, in which training and inference follow the same segment-level forward execution semantics. During training, consistency with inference is enforced by restricting gradient propagation to KV states carried over from the immediately preceding segment, while permitting head-specific access to past KV states during the forward pass without involving them in gradient propagation. Across long-context benchmarks, our approach achieves performance comparable to full-context attention, while achieving competitive latency-memory trade-offs against strong inference-efficient baselines, and substantially improving scalability at very long context lengths (e.g., approximately 6x lower peak prefill memory at 128K compared to full-context attention with FlashAttention).
Authors: Andrea Serani, Giorgio Palma, Matteo Diez
Abstract: Dimensionality reduction is essential in simulation-based shape design, where high-dimensional parameterizations hinder optimization, surrogate modeling, and systematic design-space exploration. Parametric Model Embedding (PME) addresses this issue by constructing reduced variables from geometric information while preserving an explicit backmapping to the original design parameters. However, PME is intrinsically linear and may become inefficient when the sampled design space is governed by nonlinear geometric variability. This paper introduces a nonlinear extension of PME, denoted NLPME. The proposed framework preserves the defining principle of PME -- geometry-driven latent variables and parameter-mediated reconstruction -- while replacing the linear reduced subspace with a nonlinear latent representation. Geometry is not reconstructed directly from the latent variables; instead, the latent representation is decoded into admissible design parameters, and the corresponding geometry is recovered through a forward parametric map. The method is assessed on a bio-inspired autonomous underwater glider with a 32-dimensional parametric shape description and a CAD-based geometry-generation process. NLPME reaches a 5\% reconstruction-error threshold with \(N=5\) latent variables, compared with \(N=8\) for linear PME, and a 1\% threshold with \(N=9\), compared with \(N=15\) for PME. Comparison with a deep autoencoder shows that most of the nonlinear compression gain can be retained while preserving an explicit backmapping to the original design variables. The results establish NLPME as a compact, admissible, and engineering-compatible nonlinear reduced representation for parametric shape design spaces.
Authors: Mingcheng Zhu, Zhiyao Luo, Yu Liu, Tingting Zhu
Abstract: By processing electronic health records (EHRs) as natural language sequences, large language models (LLMs) have shown potential in clinical prediction tasks such as mortality prediction and phenotyping. However, longitudinal or highly frequent EHRs often yield excessively long token sequences that result in high computational costs and even reduced performance. Existing solutions either add modules for compression or remove less important tokens, which introduce additional inference latency or risk losing clinical information. To achieve lossless compression of token sequences without additional cost or loss of performance, we propose Medical Token-Pair Encoding (MedTPE), a layered method that extends standard tokenisation for EHR sequences. MedTPE merges frequently co-occurring medical token pairs into composite tokens, providing lossless compression while preserving the computational complexity through a dependency-aware replacement strategy. Only the embeddings of the newly introduced tokens of merely 0.5-1.0% of the LLM's parameters are fine-tuned via self-supervised learning. Experiments on real-world datasets for two clinical scenarios demonstrate that MedTPE reduces input token length by up to 31% and inference latency by 34-63%, while maintaining or even improving both predictive performance and output format compliance across multiple LLMs and four clinical prediction tasks. Furthermore, MedTPE demonstrates robustness across different input context lengths and generalisability to scientific and financial domains and different languages.
Authors: Gabriel Curtosi, Carlos Manuel Ruiz Ruiz, Fabiola Cavaliere, Xabier Larr\'ayoz Izcara
Abstract: Full-vehicle crash simulations are computationally expensive, limiting their use in iterative design exploration. This work investigates learned hybrid surrogate models (MeshTransolver, MeshGeoTransolver, and MeshGeoFLARE) for predicting time-resolved structural deformation fields in an industrial lateral pole-impact benchmark. We evaluate whether neural surrogates can reproduce full-field crash kinematics with sufficient accuracy, spatial regularity, and structural plausibility for engineering interpretation. The proposed architectures combine local mesh message passing, geometry-aware global attention, and sparse contact-aware correction for autoregressive crash rollout. We compare mesh-based graph neural networks, attention-based geometric models, and hybrid architectures under a common training and hyperparameter configuration. The hybrid models capture both short-range structural interactions and long-range deformation patterns, while a sparse contact-aware variant assesses the effect of dynamic proximity interactions during rollout. On a 25-sample full-vehicle test set, the best hybrid model achieves a temporal mean root-mean-square error of 3.20 mm. While geometry-aware attention baselines are quantitatively competitive, qualitative side-view inspection shows they can introduce local spatial noise and deformation irregularities that complicate structural interpretation. In contrast, hybrid mesh-attention models provide the best balance between scalar accuracy, survival-space consistency, and physically interpretable displacement fields. These results suggest that crash surrogate assessment should combine global error metrics with downstream safety-relevant quantities and qualitative field inspection. The proposed methodology enables fast full-field predictions while preserving essential structural information for industrial crash-engineering analysis.
Authors: Martin Hohmann
Abstract: The accurate recovery of constituent-level optical properties from integrating sphere measurements is a central analytical challenge in pharmaceutical analysis, food science, and biomedical diagnostics. Neural network autoencoders can extract spectrally resolved absorption and scattering coefficients for each constituent without prior knowledge, but their fully connected encoders bind learned features to absolute wavelength indices, causing accuracy loss under spectrometer calibration drift or hardware exchange. This work introduces the Bin Latent Transformer (BiLT)-Autoencoder, in which the dense encoder is replaced by a cross-attention scanner: 16 learnable probe vectors query a convolutional feature map, aggregating morphological spectral information independently of absolute wavelength position. A physics-constrained linear decoder with enforced absorption/scattering separation and a three-phase curriculum augmentation strategy complete the architecture. On a liquid phantom benchmark (intralipid and two ink absorbers; 496 samples), the model achieves $R^2 = 0.979$ and $0.975$ for $\mu_a(\lambda)$ and $\mu_s'(\lambda)$, respectively, on held-out test spectra, maintaining $R^2 > 0.90$ for $\mu_a$ and $R^2 \approx 0.99$ for $\mu_s'$ across the full tested shift range of $\pm 10$ spectral bands. The model generalises to a simulated spectrometer with a broader instrument line shape (${\approx}24$nm FWHM) without retraining, retaining $R^2 \approx 0.96$ and $0.974$ for the two channels. Attention map analysis reveals a physically interpretable two-component probe strategy: sparse anchor probes at absorption-edge wavelengths combined with a diffuse, SNR-driven ensemble at the high-transmittance long-wavelength region, which recruits additional probes dynamically under noise to provide implicit spectral averaging.
Authors: Alex Fulleda-Garcia, Saray Soldado-Magraner, Josep Maria Margarit-Taul\'e
Abstract: Spiking neural networks (SNNs) promise low-power event-driven computation for temporally rich tasks, but commonly used neuron models often trade off gradient-based trainability, dynamical richness, and high activity sparsity. These limitations are acute in regression, where approximation error, noise and spike discretization can severely degrade continuous-valued outputs. Indeed, many state-of-the-art (SOTA) SNNs rely on simple phenomenological dynamics trained with surrogate gradients and offer limited control over spiking diversity and sparsity. To overcome such limitations, we introduce multi-timescale conductance spiking networks, a gradient-trainable framework in which neural dynamics emerge from shaping the current-voltage (I-V) curve by tuning fast, slow and ultra-slow conductances. This parametrization allows systematic control over excitability, can be implemented efficiently in analog circuits, and yields rich firing regimes including tonic, phasic and bursting responses within a single model. We derive a discrete-time formulation of these differentiable dynamics, enabling direct backpropagation through time without surrogate-gradient approximations. To probe both trainability and accuracy, we evaluate feedforward networks of these neurons at the predictability limit of Mackey-Glass time-series regression and compare them to baseline LIF and SOTA AdLIF networks. Our model outperforms LIF and AdLIF networks, while exhibiting substantially sparser activity from both communication and computational perspectives. These results highlight multi-timescale conductance spiking neurons as a promising building block for energy-aware temporal processing and neuromorphic implementation.
Authors: Binh Duc Vu, David S. Watson
Abstract: Tree ensembles such as random forests (RFs) and gradient boosting machines (GBMs) are among the most widely used supervised learners, yet their theoretical properties remain incompletely understood. We adopt a spectral perspective on these algorithms, with two main contributions. First, we derive minimax-optimal convergence for RF regression, showing that, under mild regularity conditions on tree growth, the eigenvalue decay of the induced kernel operator governs the statistical rate. Second, we exploit this spectral viewpoint to develop compression schemes for tree ensembles. For RFs, leading eigenfunctions of the kernel operator capture the dominant predictive directions; for GBMs, leading singular vectors of the smoother matrix play an analogous role. Learning nonlinear maps for these spectral representations yields distilled models that are orders of magnitude smaller than the originals while maintaining competitive predictive performance. Our methods compare favorably to state of the art algorithms for forest pruning and rule extraction, with applications to resource constrained computing.
Authors: Paul-Philipp Manea, Aishwarya Natarajan, Jim Ignowski, John Paul Strachan, Luca Buonanno
Abstract: Analog content-addressable memories (aCAMs) based on memristors provide a promising pathway toward energy-efficient large-scale associative computing for Edge AI and embedded intelligence applications. They have been successfully applied to decision-tree inference and extend the capabilities of compute-in-memory (CIM) architectures beyond conventional vector-matrix multiplication. However, conventional designs such as the 6T2M architecture suffer from static search power, limited voltage gain, and pronounced match-line crosstalk, constraining analog precision and scalability. We introduce a strong-arm latched memristor (SALM) aCAM cell that replaces static voltage division with a dynamic current-race comparator, enabling high regenerative gain, intrinsic result latching, and near-zero static search power. Compared to 6T2M, SALM reduces read energy by 33% at identical latency while eliminating the gain and crosstalk limitations that prevent 6T2M from scaling to large arrays. SALM further enables scalable sequential and parallel latch sharing, and a dataset-aware optimization framework exposes an explicit energy-latency tradeoff, achieving up to 50% energy reduction at 3x latency across representative workloads. To enable architectural exploration, we develop a circuit-accurate behavioral model derived from SPICE lookup tables in 22 nm FD-SOI technology, capturing match-line dynamics and crosstalk. Integrated into the X-TIME decision-tree compiler, this framework demonstrates that SALM maintains near-software accuracy for high-dimensional datasets, whereas baseline designs degrade due to limited gain and cumulative crosstalk.
Authors: Konstantinos Oikonomidis, Jan Quan, Kimon Antonakopoulos, Antonio Silveti-Falls, Volkan Cevher, Panagiotis Patrinos
Abstract: In this work, we develop proximal preconditioned gradient methods with a focus on spectral gradient methods providing a proximal extension to the Muon and Scion optimizers. We introduce a family of stochastic algorithms that can handle a wide variety of convex and nonconvex constraints and study its convergence under heavy-tailed noise, through a novel analysis tailored to the geometry of the proposed methods. We further propose a variance-reduced version, which achieves faster convergence under standard noise assumptions. Finally, we show that the polynomial iterations used in Muon are more accurately captured by a nonlinear preconditioner than by the ideal matrix sign, leading to a convergence analysis that more faithfully reflects practical implementations.
Authors: Shuxing Fang, Ruijian Han, Liangyu Zhang, Fan Zhou
Abstract: Standard Bradley--Terry (BT) reward models are limited when human preferences are pluralistic. Although soft preference labels preserve disagreement information, BT can only express it by shrinking reward margins. Gaussian reward models provide an alternative by jointly predicting a reward mean and a reward variance, but suffer from a fundamental non-identifiability from pairwise preferences alone. We propose Anchor-guided Variance-aware Reward Modeling, a framework that resolves this non-identifiability by augmenting preference data with two coarse response-level anchor labels. Building on this, we prove that two anchors are sufficient for identification, develop a joint training objective and establish a non-asymptotic convergence rate for both the estimated reward mean and variance functions. Across simulation studies and four real-world diverging-preference datasets, our method consistently improves reward modeling performance and downstream RLHF, including PPO training and best-of-$N$ selection.
Authors: Jian Tang, Jiawei Fan, Qingbin Liu, Zheng Wei
Abstract: While the overall inference latency of Video Diffusion Transformers (DiTs) can be substantially reduced through model distillation, per-step inference latency remains a critical bottleneck. Existing acceleration paradigms primarily exploit redundancy across the denoising trajectory; however, we identify a limitation where these step-wise strategies encounter diminishing returns in few-step regimes. In such scenarios, the scarcity of temporal states prevents effective feature reuse or predictive modeling, creating a formidable barrier to further acceleration. To overcome this, we propose Frame Interleaved Sparsity DiT (FIS-DiT), a training-free and operator-agnostic framework that shifts the optimization focus from the temporal trajectory to the latent frame dimension. Our approach is motivated by an intrinsic duality within this dimension: the existence of frame-wise sparsity that permits reduced computation, coupled with a structural consistency where each frame position remains equally vital to the global spatiotemporal context. Leveraging this insight, we implement Frame Interleaved Sparsity (FIS) as an execution strategy that manipulates frame subsets across the model hierarchy, refreshing all latent positions without requiring full-scale block computation. Empirical evaluations on Wan 2.2 and HunyuanVideo 1.5 demonstrate that FIS-DiT consistently achieves 2.11--2.41$\times$ speedup with negligible degradation across VBench-Q and CLIP metrics, providing a scalable and robust pathway toward real-time high-definition video generation.
Authors: Boyi Deng, Xu Wang, Yaoning Wang, Yu Wan, Yubo Ma, Baosong Yang, Haoran Wei, Jialong Tang, Huan Lin, Ruize Gao, Tianhao Li, Qian Cao, Xuancheng Ren, Xiaodong Deng, An Yang, Fei Huang, Dayiheng Liu, Jingren Zhou
Abstract: Large language models have achieved remarkable capabilities across diverse tasks, yet their internal decision-making processes remain largely opaque, limiting our ability to inspect, control, and systematically improve them. This opacity motivates a growing body of research in mechanistic interpretability, with sparse autoencoders (SAEs) emerging as one of the most promising tools for decomposing model activations into sparse, interpretable feature representations. We introduce Qwen-Scope, an open-source suite of SAEs built on the Qwen model family, comprising 14 groups of SAEs across 7 model variants from the Qwen3 and Qwen3.5 series, covering both dense and mixture-of-expert architectures. Built on top of these SAEs, we show that SAEs can go beyond post-hoc analysis to serve as practical interfaces for model development along four directions: (i) inference-time steering, where SAE feature directions control language, concepts, and preferences without modifying model weights; (ii) evaluation analysis, where activated SAE features provide a representation-level proxy for benchmark redundancy and capability coverage; (iii) data-centric workflows, where SAE features support multilingual toxicity classification and safety-oriented data synthesis; and (iv) post-training optimization, where SAE-derived signals are incorporated into supervised fine-tuning and reinforcement learning objectives to mitigate undesirable behaviors such as code-switching and repetition. Together, these results demonstrate that SAEs can serve not only as post-hoc analysis tools, but also as reusable representation-level interfaces for diagnosing, controlling, evaluating, and improving large language models. By open-sourcing Qwen-Scope, we aim to support mechanistic research and accelerate practical workflows that connect model internals to downstream behavior.
Authors: Dongmin Lee, Lazaros Oreopoulos, Nayeong Cho, Daeho Jin
Abstract: Modern Earth System Models (ESMs) operate on horizontal scales far larger than typical cloud features, requiring stochastic subcolumn generators to represent subgrid horizontal and vertical cloud variability. Traditional physically-based generators often rely on analytical cloud overlap paradigms, such as exponential-random decorrelation, which can struggle to capture the complex, anti-correlated behavior of non-contiguous cloud layers. In this study, we introduce a novel two-stage machine learning subcolumn generator for the GEOS atmospheric model, utilizing a Conditional Variational Autoencoder combined with a Generative Adversarial Network (CVAE-GAN) and a U-Net architecture. Trained on a merged CloudSat-CALIPSO height-resolved cloud optical depth dataset, the ML generator creates 56 stochastic subcolumns representing cloud occurrence and optical depth profiles. Evaluated against the established R\"{a}is\"{a}nen, the ML approach accurately reproduces bimodal cloud overlap distributions, significantly reduces biases in grid-mean statistics, and halves the root-mean-square error in ISCCP-style cloud-top pressure and optical thickness joint histograms. The improvements brought by our deep generative models translate into more accurate offline radiative transfer calculations, reducing the global-mean shortwave top-of-atmosphere cloud radiative effect bias by a factor of three. Provided that the generator can be accelerated on CPUs, this offers a practical pathway to reduce structural errors at the cloud-radiation interface.
Authors: Tommy Woodley, Shireen Kudukkil Manchingal, Matteo Tolloso, Davide Bacciu, Fabio Cuzzolin
Abstract: Uncertainty quantification has become an important factor in understanding the data representations produced by Graph Neural Networks (GNNs). Despite their predictive capabilities being ever useful across industrial workspaces, the inherent uncertainty induced by the nature of the data is a huge mitigating factor to GNN performance. While aleatoric uncertainty is the result of noisy and incomplete stochastic data such as missing edges or over-smoothing, epistemic uncertainty arises from lack of knowledge about a system or model (e.g., a graph's topology or node feature representation), which can be reduced by gathering more data and information. In this paper, we propose an original new framework in which node-level epistemic uncertainty is modelled in a belief function (finite random set) formalism. The resulting Random-Set Graph Neural Networks have a belief-function head predicting a random set over the list of classes, from which both a precise probability prediction and a measure of epistemic uncertainty can be obtained. Extensive experiments on 9 different graph learning datasets, including real-world autonomous driving benchmarks as such Nuscene and ROAD, demonstrate RS-GNN's superior uncertainty quantification capabilities
Authors: Bole Ma, Ayesha Afzal, Jan Eitzinger, Gerhard Wellein
Abstract: Power capping is the standard GPU energy lever in LLM serving, and it appears to work: throughput drops, power readings fall, and energy budgets are met. We show the appearance is illusory for the phase that dominates production serving: autoregressive decode. Across four attention paradigms -- GQA, MLA, Gated DeltaNet, and Mamba2 -- on NVIDIA H200, decode draws only 137--300\,W on a 700\,W GPU; no cap ever triggers, because memory-bound decode saturates HBM bandwidth rather than compute and leaves power headroom untouched. Firmware-initiated clock throttling compounds the illusion: these deviations can corrupt any throughput measurement that attributes them to the cap. SM clock locking dissolves both confounds. By targeting the lever that is actually on the critical path, clock locking Pareto-dominates power capping universally, recovering up to 32\% of decode energy at minimal throughput loss. We identify three architecture-dependent DVFS behavioural classes and characterise a common energy pattern across novel attention replacements: a heavy prefill cost recouped by efficient decode, eventually halving total request energy relative to GQA at production batch sizes.
Authors: Chang Jin, An Wang, Zeming Wei, Kai Wang, Biaojie Zeng, Qiaosheng Zhang, Chao Yang, Jingjing Qu, Xia Hu, Xingcheng Xu
Abstract: Reusable skills are becoming a common interface for extending large language model agents, packaging procedural guidance with access to files, tools, memory, and execution environments. However, this modularity introduces attack surfaces that are largely missed by existing safety evaluations: even when the user request is benign, task-relevant skill materials or local artifacts can steer an agent toward unsafe actions. We present SkillSafetyBench, a runnable benchmark for evaluating such skill-mediated safety failures. SkillSafetyBench includes 155 adversarial cases across 47 tasks, 6 risk domains, and 30 safety categories, each evaluated with a case-specific rule-based verifier. Experiments with multiple CLI agents and model backends show that localized non-user attacks can consistently induce unsafe behavior, with distinct failure patterns across domains, attack methods, and scaffold-model pairings. Our findings suggest that agent safety depends not only on model-level alignment, but also on how agents interpret skills, trust workflow context, and act through executable environments.
Authors: Ge Yan, Shanchuan Li, Yuxuan Du
Abstract: Quantum error correction (QEC) is essential for enabling quantum advantages, with decoding as a central algorithmic primitive. Owing to its importance and intrinsic difficulty, substantial effort has been made to QEC decoder design, among which neural decoders have recently emerged as a promising data-driven paradigm. Despite this progress, practical deployment remains hindered by a fundamental accuracy-latency tradeoff, often on the microsecond timescale. To address this challenge, here we revisit neural decoders for surface-code decoding under explicit accuracy-latency constraints, considering code distances up to d=9 (161 physical qubits). We unify and redesign representative neural decoders into five architectural paradigms and develop an end-to-end compression pipeline to evaluate their deployability and performance on FPGA hardware. Through systematic experiments, we reveal several previously underexplored insights: (i) near-term decoding performance is driven more by data scale than architectural complexity; (ii) appropriate inductive bias is essential for achieving high decoding accuracy; and (iii) INT4 quantization is a prerequisite for meeting microsecond-scale latency requirements on FPGAs. Together, these findings provide concrete guidance toward scalable and real-time neural QEC decoding.
Authors: Muhammad Aqeel, Maham Nazir, Uzair Khan, Marco Cristani, Francesco Setti
Abstract: Zero-shot anomaly detection aims to identify defects in unseen categories without target-specific training. Existing methods usually apply the same feature transformation to all samples, treating normal and anomalous data uniformly despite their fundamentally asymmetric distributions, compact normals versus diverse anomalies. We instead exploit this natural asymmetry by proposing AVA-DINO, an anomaly-aware vision-language adaptation framework with dual specialized branches for normal and anomalous patterns that adapt frozen DINOv3 visual features. During training on auxiliary data, the two branches are learned jointly with a text-guided routing mechanism and explicit routing regularization that encourages branch specialization. At test time, only the input image and fixed, predefined language descriptions are used to dynamically combine the two branches, enabling an asymmetric activation. This design prevents degenerate uniform routing and allows context-specific feature transformations. Experiments across nine industrial and medical benchmarks demonstrate state-of-the-art performance, achieving 93.5% image-AUROC on MVTec-AD and strong cross-domain generalization to medical imaging without domain-specific fine-tuning. https://github.com/aqeeelmirza/AVA-DINO
Authors: Youwei Yu, Jionghao Wang, Zhengming Yu, Wenping Wang, Lantao Liu
Abstract: Designing learnable information-theoretic objectives for robot exploration remains challenging. Such objectives aim to guide exploration toward data that reduces uncertainty in model parameters, yet it is often unclear what information the collected data can actually reveal. Although reinforcement learning (RL) can optimize a given objective, constructing objectives that reflect parametric learnability is difficult in high-dimensional robotic systems. Many parameter directions are weakly observable or unidentifiable, and even when identifiable directions are selected, omitted directions can still influence exploration and distort information measures. To address this challenge, we propose Quasi-Optimal Experimental Design (Q{\footnotesize OED}), an adaptive information objective grounded in optimal experimental design. Q{\footnotesize OED} (i) performs eigenspace analysis of the Fisher information matrix to identify an observable subspace and select identifiable parameter directions, and (ii) modifies the exploration objective to emphasize these directions while suppressing nuisance effects from non-critical parameters. Under bounded nuisance influence and limited coupling between critical and nuisance directions, Q{\footnotesize OED} provides a constant-factor approximation to the ideal information objective that explores all parameters. We evaluate Q{\footnotesize OED} on simulated and real-world navigation and manipulation tasks, where identifiable-direction selection and nuisance suppression yield performance improvements of \SI{35.23}{\percent} and \SI{21.98}{\percent}, respectively. When integrated as an exploration objective in model-based policy optimization, Q{\footnotesize OED} further improves policy performance over established RL baselines.
Authors: Alexander Shen, Mikael Kuusela
Abstract: For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods, but most SBI methods assume a black-box data generating process. While these surrogates are exact in the limit of infinite training data, practical scenarios force a strict tradeoff between model quality and simulation cost. In this work, we loosen the black-box assumption of SBI to improve this tradeoff for structured stochastic process models. Specifically, for neural network likelihood surrogates trained via probabilistic classification, we propose to augment the standard binary cross-entropy loss with exact score information $\nabla_\theta \log p(x \mid \theta)$ and adaptive weighting based on loss gradients. We evaluate our approach on case studies involving network dynamics and spatial processes, demonstrating that our method improves surrogate quality at a drastically lower computational cost than generating more training data. Notably, in some cases, our approach achieves downstream inference performance equivalent to a 10x increase in training data with less than a 1.1x increase in training time.
Authors: Sonali Godavarthy, Matthias Neuwirth-Trapp, Tim-Felix Faasch, Maarten Bieshaar, Michael Moeller, Danda Pani Paudel
Abstract: Recent text-to-image models produce high-quality images, yet text ambiguity hinders precise control when specific styles or objects are required. There have been a number of recent works dealing with learning and composing multiple objects and patterns. However, current work focuses almost entirely on image content, overlooking imaging factors such as camera lens, sensor types, imaging viewpoints, and scenes' domain characteristics. We introduce this new challenge as Imaging Factor Disentanglement and show limitations of current approaches in the regime. We, therefore, propose the new method Multi-factor disentanglement through Textual Inversion (MULTI). It consists of two stages: in the first stage, we learn general factors, and in the second stage, we extract dataset-specific ones. This setup enables the extension of existing datasets and novel factor combinations, thereby reducing distribution gaps. It further supports modifications of specific factors and image-to-image generation via ControlNets. The evaluation on our new DF-RICO benchmark demonstrates the effectiveness of MULTI and highlights the importance of Factor Disentanglement as a new direction of research.
Authors: Joshua Opria
Abstract: We present STRUM (Spectral Transcription and Rhythm Understanding Model), an audio-to-chart pipeline that converts raw recordings into playable Clone Hero / YARG charts for drums, guitar, bass, vocals, and keys without any oracle metadata. STRUM is a multi-stage hybrid: a two-stage CRNN onset detector and a six-model ensemble classifier for drums; neural onset detectors with monophonic pitch tracking for guitar and bass; word-aligned ASR for vocals; and spectral keyboard detection for keys. We evaluate on a 30-song in-envelope benchmark constructed by screening candidate songs on a single audio-quality criterion -- the median 1-second drum-stem RMS after htdemucs_6s source separation. On this benchmark STRUM achieves drums onset F1 = 0.838, bass F1 = 0.694, guitar F1 = 0.651, and vocals F1 = 0.539 at a +/- 100 ms tolerance with per-song global offset search. We report a complete ablation of seven drum-pipeline components with paired per-song Wilcoxon tests, an analysis of ground-truth-to-audio timing distributions in community Clone Hero charts, and a per-class confusion matrix for the drum classifier. Code, model weights, and the full benchmark manifest are released.
Authors: James Flemings, Murali Annavaram
Abstract: Large language models (LLMs) are increasingly used to simulate human behavior, but their ability to simulate $individual$ privacy decisions is not well understood. In this paper, we address the problem of evaluating whether a core set of user persona attributes can drive LLMs to simulate individual-level privacy behavior. We introduce PrivacySIM, an evaluation suite that benchmarks LLM simulation of user privacy behavior against the ground-truth responses of 1,000 users. These users are drawn from five published user studies on privacy spanning LLM healthcare consultations, conversational agents, and chatbots. Drawing on these user studies, we hypothesize three persona facets as plausible predictors of privacy decision-making: demographics, previous experiences, and stated privacy attitudes. We condition nine frontier LLMs on subsets of these three facets and measure how often each model's response to a data-sharing scenario matches the user's actual response. Our findings show that (1) privacy persona conditioning consistently improves simulation quality over no-persona conditioning, but even the strongest model (40.4\% accuracy) remains far from faithfully simulating individual privacy decisions. (2) A user's stated privacy attitudes alone may not be the best predictor because they often diverge from the user's actual privacy behavior. (3) Users with high AI/chatbot experience but low stated privacy attitudes are the most challenging to simulate. PrivacySIM is a first step toward understanding and improving the capabilities of LLMs to simulate user privacy decisions. We release PrivacySIM to enable further evaluation of LLM privacy simulation.
Authors: Jose Ignacio Robledo, Norberto Schmidt, Klaus Lieutenant, Jingjing Li, Stefan Kesselheim, Paul Zakalek
Abstract: In light of the recent advancements in machine learning, we propose a novel approach to neutron source distribution estimation through the utilisation of probabilistic generative models. The estimation is based on a Monte Carlo particle list, which is only required during the training stage of the machine learning model. Once the source distribution has been learned, the model is independent of the original particle list, allowing for further sampling in an efficient, rapid, and memory-costless manner. The performance of various generative models is evaluated, including a variational autoencoder, a normalizing flow, a generative adversarial network, and a denoising diffusion model. These approaches are then compared to existing source distribution estimations, and the advantages and disadvantages of each approach are discussed. The results demonstrate that source distributions can be modeled through the use of probabilistic generative models, which paves the way for further advancements in this field.
Authors: Jishnu Sethumadhavan Nair, Patrice Bechard, Rishabh Maheshwary, Surajit Dasgupta, Sravan Ramachandran, Aakash Bhagat, Shruthan Radhakrishna, Pulkit Pattnaik, Johan Obando-Ceron, Shiva Krishna Reddy Malay, Sagar Davasam, Seganrasan Subramanian, Vipul Mittal, Sridhar Krishna Nemala, Christopher Pal, Srinivas Sunkara, Sai Rajeswar
Abstract: World models enable agents to anticipate the effects of their actions by internalizing environment dynamics. In enterprise systems, however, these dynamics are often defined by tenant-specific business logic that varies across deployments and evolves over time, making models trained on historical transitions brittle under deployment shift. We ask a question the world-models literature has not addressed: when the rules can be read at inference time, does an agent still need to learn them? We argue, and demonstrate empirically, that in settings where transition dynamics are configurable and readable, runtime discovery complements offline training by grounding predictions in the active system instance. We propose enterprise discovery agents, which recover relevant transition dynamics at runtime by reading the system's configuration rather than relying solely on internalized representations. We introduce CascadeBench, a reasoning-focused benchmark for enterprise cascade prediction that adopts the evaluation methodology of World of Workflows on diverse synthetic environments, and use it together with deployment-shift evaluation to show that offline-trained world models can perform well in-distribution but degrade as dynamics change, whereas discovery-based agents are more robust under shift by grounding their predictions in the current instance. Our findings suggest that, in configurable enterprise environments, agents should not rely solely on fixed internalized dynamics, but should incorporate mechanisms for discovering relevant transition logic at runtime.
Authors: Futoshi Futami, Masahiro Fujisawa
Abstract: Information-theoretic generalization bounds based on the supersample construction are a central tool for algorithm-dependent generalization analysis in the batch i.i.d.~setting. However, existing supersample conditional mutual information (CMI) bounds do not directly apply to sequential decision-making problems such as online learning, streaming active learning, and bandits, where data are revealed adaptively and the learner evolves along a causal trajectory. To address this limitation, we develop a sequential supersample framework that separates the learner filtration from a proof-side enlargement used for ghost-coordinate comparisons. Under a row-wise exchangeability assumption, the sequential generalization gap is controlled by sequential CMI, a sum of roundwise selector--loss information terms. We also establish a Bernstein-type refinement that yields faster rates under suitable variance conditions. The selector-SCMI proof strategy applies to online learning, streaming active learning with importance weighting, and stochastic multi-armed bandits.
Authors: Mouyang Cheng, Bowen Yu, Chu-Liang Fu, Nina Andrejevic, Matthias T. Agne, Riley Hanus, Qiwei Wan, Nathan C. Drucker, Thanh Nguyen, Andrei Fluerasu, Lutz Wiegart, Xiaoqian M Chen, Daniel Pajerowski, Yongqiang Cheng, Joshua J Turner, G. Jeffrey Snyder, Mingda Li
Abstract: Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon correlation spectroscopy (XPCS), combined with domain-adaptive machine learning, as a quantitative probe of GB dynamics. Temperature- and grain-size-dependent two-time XPCS measurements in nanocrystalline silicon reveal pronounced departures from time-translation invariance, showing that GB relaxation can remain far from equilibrium over experimental timescales. However, direct extraction of quantitative physical information from these high-dimensional, noisy fluctuation maps faces a significant challenge. To overcome this barrier, we develop a semi-supervised learning framework that transfers physical parameter labels from continuum simulations to unlabeled experimental XPCS maps through domain-adaptive representation alignment. This AI-augmented approach enables the extraction of key kinetic parameters, including bulk diffusivity, GB stiffness, and effective GB concentration, directly from experimental XPCS measurements. Our results show how machine learning can transform indirect fluctuation signals into quantitative materials dynamics, providing a general route to study non-equilibrium defect motion in solids.
Authors: Julian Rodemann, Alexander Marquard, Thomas Augustin, Michele Caprio
Abstract: Approximate Bayesian inference typically revolves around computing the posterior parameter distribution. In practice, however, the main object of interest is often a model's predictions rather than its parameters. In this work, we propose to bypass the parameter posterior and focus directly on approximating the posterior predictive distribution. We achieve this by drawing inspiration from self-training within self-supervised and semi-supervised learning. Essentially, we quantify a Bayesian model's predictive uncertainty by refitting on self-predicted data. The idea is strikingly simple: If a model assigns high likelihood to self-predicted data, these predictions are of low uncertainty, and vice versa. This yields a deterministic, sampling-free approximation of the posterior predictive. The modular structure of our Self-Supervised Laplace Approximation (SSLA) further allows us to plug in different prior specifications, enabling classical Bayesian sensitivity (w.r.t. prior choice) analysis. In order to bypass expensive refitting, we further introduce an approximate version of SSLA, called ASSLA. We study (A)SSLA both theoretically and empirically in regression models ranging from Bayesian linear models to Bayesian neural networks. Across a wide array of regression tasks with simulated and real-world datasets, our methods outperform classical Laplace approximations in predictive calibration while remaining computationally efficient.
Authors: Mohammad Khoshkdahan, Alexey Vinel
Abstract: Safe autonomous agents and mobile robots need fast real time 3D perception, especially for vulnerable road users (VRUs) such as pedestrians. We introduce a new bird's eye view (BEV) encoding, which maps the full 3D LiDAR point cloud into a light-weight 2D BEV tensor with three height bands. We explicitly reformulate 3D detection as a 2D detection problem and then reconstruct 3D boxes from the BEV outputs. A single network detects cars, pedestrians, and cyclists in one pass. The backbone uses area attention at deep stages, a hierarchical bidirectional neck over P1 to P4 fuses context and detail, and the head predicts oriented boxes with distribution focal learning for side offsets and a rotated IoU loss. Training applies a small vertical re bin and a mild reflectance jitter in channel space to resist memorization. We use an interquartile range (IQR) filter to remove noisy and outlier LiDAR points during 3D reconstruction. On KITTI dataset, TriBand-BEV attains 58.7/52.6/47.2 pedestrian BEV AP(%) for easy, moderate, and hard at 49 FPS on a single consumer GPU, surpassing Complex-YOLO, with gains of +12.6%, +7.5%, and +3.1%. Qualitative scenes show stable detection under occlusion. The pipeline is compact and ready for real time robotic deployment. Our source code is publicly available on GitHub.
Authors: Giovanni Cerulli
Abstract: We study optimal policy learning under combined budget and minimum coverage constraints. We show that the problem admits a knapsack-type structure and that the optimal policy can be characterized by an affine threshold rule involving both budget and coverage shadow prices. We establish that the linear programming relaxation of the combinatorial solution has an O(1) integrality gap, implying asymptotic equivalence with the optimal discrete allocation. Building on this result, we analyze two implementable approaches: a Greedy-Lagrangian (GLC) and a rank-and-cut (RC) algorithm. We show that the GLC closely approximates the optimal solution and achieves near-optimal performance in finite samples. By contrast, RC is approximately optimal whenever the coverage constraint is slack or costs are homogeneous, while misallocation arises only when cost heterogeneity interacts with a binding coverage constraint. Monte Carlo evidence supports these findings.
Authors: Matthew M. Hong, Jesse Zhang, Anusha Nagabandi, Abhishek Gupta
Abstract: Fine-tuning pre-trained robot policies with reinforcement learning (RL) often inherits the bottlenecks introduced by pre-training with behavioral cloning (BC), which produces narrow action distributions that lack the coverage necessary for downstream exploration. We present a unified framework that enables the exploration necessary to enable efficient robot policy finetuning by bridging BC pre-training and RL fine-tuning. Our pre-training method, Context-Smoothed Pre-training (CSP), injects forward-diffusion noise into policy inputs, creating a continuum between precise imitation and broad action coverage. We then fine-tune pre-trained policies via Timestep-Modulated Reinforcement Learning (TMRL), which trains the agent to dynamically adjust this conditioning during fine-tuning by modulating the diffusion timestep, granting explicit control over exploration. Integrating seamlessly with arbitrary policy inputs, e.g., states, 3D point clouds, or image-based VLA policies, we show that TMRL improves RL fine-tuning sample efficiency. Notably, TMRL enables successful real-world fine-tuning on complex manipulation tasks in under one hour. Videos and code available at https://weirdlabuw.github.io/tmrl/.
Authors: M A Al-Masud, Nils Strodthoff
Abstract: Specialized foundation models are beginning to emerge in various medical subdomains, but pretraining methodologies and parametric scaling with the size of the pretraining dataset are rarely assessed systematically and in a like-for-like manner. This work focuses on foundation models for electrocardiography (ECG) data, one of the most widely captured physiological time series world-wide. We present a comprehensive assessment of pretraining methodologies, covering five different contrastive and non-contrastive self-supervised learning objectives for ECG foundation models, and investigate their scaling behavior with pretraining dataset sizes up to 11M input samples, exclusively from publicly available sources. Pretraining strategy has a meaningful and consistent impact on downstream performance, with contrastive predictive coding (slightly ahead of JEPA) yielding the most transferable representations across diverse clinical tasks. Scaling pretraining data continues to yield meaningful improvements up to 11M samples for most objectives. We also compare model architectures across all pretraining methodologies and find evidence for a clear superiority of structured state space models compared to transformers and CNN models. We hypothesize that the strong inductive biases of structured state space models, rather than pretraining scale alone, are the primary driver of effective ECG representation learning, with important implications for future foundation model development in this and potentially other physiological signal domains.
Authors: Toru Takahashi
Abstract: When people share the same documents and observations yet reach different conclusions, the disagreement often shifts into a judgment that the other party is cognitively defective, irrational, or acting in bad faith. This paper argues that such divergence is better described as a form of non-identifiability inherent in inference and learning, rather than as a defect of the other party. We organize the phenomenon into two levels: (i) $\theta$-level non-identifiability, where conclusions diverge under the same world model $W$ because inference settings differ; and (ii) $W$-level non-identifiability, where repeated use of an inference setting $\theta$ biases data exposure and update rules, causing the learned world model $W$ itself to diverge. We introduce an inference profile $\theta = (R, E, S, D)$, consisting of Reference, Exploration, Stabilization, and Horizon, and show how outputs can split even for the same observation $o$ and the same $W$. We further explain why disagreements tend to project onto a small number of bases -- abstract versus concrete, externalizability, and order versus freedom -- as a consequence of general constraints on learning systems: computational, observational, and coordination constraints. Finally, we relate the framework to deep representation learning, including representation hierarchy, latent-state estimation, and regularization-exploration trade-offs, and illustrate the framework through a case study on AI regulation debates.
Authors: Joshua Wendland, Markel Zubia, Roman Andriushchenko, Maris F. L. Galesloot, Milan Ceska, Henrik von Kleist, Thiago D. Simao, Maximilian Weininger, Nils Jansen
Abstract: We introduce missingness-MDPs (miss-MDPs), a novel subclass of partially observable Markov decision processes (POMDPs) that incorporates the theory of missing data. A miss-MDP is a POMDP whose observation function is a missingness function, specifying the probability that individual state features are missing (i.e., unobserved) at a time step. The literature distinguishes three canonical missingness types: missing (1) completely at random (MCAR), (2) at random (MAR), and (3) not at random (MNAR). Our planning problem is to compute near-optimal policies for a miss-MDP with an unknown missingness function, given a dataset of action-observation trajectories. Achieving such optimality guarantees for policies requires learning the missingness function from data, which is infeasible for general POMDPs. To overcome this challenge, we exploit the structural properties of different missingness types to derive probably approximately correct (PAC) algorithms for learning the missingness function. These algorithms yield an approximate but fully specified miss-MDP that we solve using off-the-shelf planning methods. We prove that, with high probability, the resulting policies are epsilon-optimal in the true miss-MDP. Empirical results confirm the theory and demonstrate superior performance of our approach over two model-free POMDP methods.
Authors: Sae Furukawa, Alina Oprea
Abstract: Supervised Finetuning (SFT) has become one of the primary methods for adapting a large language model (LLM) with extensive pre-trained knowledge to domain-specific, instruction-following tasks. SFT datasets, composed of instruction-response pairs, often include user-provided information that may contain sensitive data such as personally identifiable information (PII), raising privacy concerns. This paper studies the problem of PII reconstruction from SFT models for the first time. We construct multi-turn, user-centric Q&A datasets in sensitive domains, specifically medical and legal settings, that incorporate PII to enable realistic evaluation of leakage. Using these datasets, we evaluate the extent to which an adversary, with varying levels of knowledge about the fine-tuning dataset, can infer sensitive information about individuals whose data was used during SFT. In the reconstruction setting, we propose COVA, a novel decoding algorithm to reconstruct PII under prefix-based attacks, consistently outperforming existing extraction methods. Our results show that even partial attacker knowledge can significantly improve reconstruction success, while leakage varies substantially across PII types.
Authors: Jonas Mayer Martins, Zhuojing Huang, Aaricia Herygers, Lisa Beinborn
Abstract: What makes a word difficult to learn, and how does the difficulty depend on the learner's native language? We computationally model vocabulary difficulty for English learners whose first language is Spanish, German, or Chinese with gradient-boosted models trained on features related to a word's familiarity (e.g., frequency), meaning, surface form, and cross-linguistic transfer. Using Shapley values, we determine the importance of each feature group. Word familiarity is the dominant feature group shared by all three languages. However, predictions for Spanish- and German-speaking learners rely additionally on orthographic transfer. This transfer mechanism is unavailable to Chinese learners, whose difficulty is shaped by a combination of familiarity and surface features alone. Our models provide interpretable, L1-tailored difficulty estimates that can be used to design vocabulary curricula.
Authors: Moussa Kassem Sbeyti, Joshua Holstein, Philipp Spitzer, Nadja Klein, Gerhard Satzger
Abstract: High-quality labeled data is essential for training robust machine learning models, yet obtaining annotations at scale remains expensive. AI-assisted annotation has therefore become standard in large-scale labeling workflows. However, in tasks where model predictions carry two independent components, a class label and spatial boundaries, a model may classify an object with high confidence while mislocalizing it. Existing AI-assisted workflows offer annotators no signal about where spatial errors are most likely. Without such guidance, humans may systematically underinspect subtly misplaced boxes. We address this by studying the effect of visualizing spatial uncertainty via a purpose-built interface. In a controlled study with 120 participants, those receiving uncertainty cues achieve higher label quality while being faster overall. A box-level analysis confirms that the cues redirect annotator effort toward high-uncertainty predictions and away from well-localized boxes. These findings establish localization uncertainty as a lever to improve human-in-the-loop annotation. Code is available at https://mos-ks.github.io/MUHA/.
Authors: Saeed Shurrab, Mariam Al-Omari, Dana El Samad, Farah E. Shamout
Abstract: Electronic Health Records (EHR) contain rich longitudinal patient information and are widely used in predictive modeling applications. However, effectively leveraging historical data remains challenging due to long trajectories, heterogeneous events, temporal irregularity, and the varying relevance of past clinical context. Existing approaches often rely on fixed windows or uniform aggregation, which can obscure clinically important signals. In this work, we introduce EHR-RAGp, a retrieval-augmented foundation model that dynamically integrates the most relevant patient history across diverse clinical event types. We propose a prototype-guided retrieval module that acts as an alignment mechanism and estimates the relevance of retrieved historical chunks with respect to a given prediction task, guiding the model towards the most informative context. Across multiple clinical prediction tasks, EHR-RAGp consistently outperforms state-of-the-art EHR foundation models and transformer-based baselines. Furthermore, integrating EHR-RAGp with existing clinical foundation models yields substantial performance gains. Overall, EHR-RAGp provides a scalable and efficient framework for leveraging long-range clinical context to improve downstream performance.
Authors: Dang Hoang Duy, Yannis Montreuil, Maxime Meyer, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-Defer (L2D) methods route each query either to a predictive model or to external experts. While existing work studies this problem in batch settings, real-world deployments require handling streaming data, changing expert availability, and shifting expert distribution. We introduce the first online L2D algorithm for multiclass classification with bandit feedback and a dynamically varying pool of experts. Our method achieves regret guarantees of $O((n+n_e)T^{2/3})$ in general and $O((n+n_e)\sqrt{T})$ under a low-noise condition, where $T$ is the time horizon, $n$ is the number of labels, and $n_e$ is the number of distinct experts observed across rounds. The analysis builds on novel $\mathcal{H}$-consistency bounds for the online framework, combined with first-order methods for online convex optimization. Experiments on synthetic and real-world datasets demonstrate that our approach effectively extends standard Learning-to-Defer to settings with varying expert availability and reliability.
Authors: Laura L\"utzow, Simone Garatti, Marco C. Campi, Lars Lindemann, Matthias Althoff
Abstract: Conformal prediction constructs prediction sets with finite-sample coverage guarantees, but its calibration stage is structurally constrained to a scalar score function and a single threshold variable - forcing shapes of prediction sets to be fixed before calibration, typically through data splitting. We introduce multi-variable conformal prediction (MCP), a framework that extends conformal prediction to vector-valued score functions with multiple simultaneous calibration variables. Building on scenario theory as a principled framework for certifying data-driven decisions, MCP unifies prediction set design and calibration into a single optimization problem, eliminating data splitting without sacrificing coverage guarantees. We propose two computationally efficient variants: RemMCP, grounded in constrained optimization with constraint removal, which admits a clean generalization of split conformal prediction; and RelMCP, based on iterative optimization with constraint relaxation, which supports non-convex score functions at the cost of possibly greater conservatism. Through numerical experiments on ellipsoidal and multi-modal prediction sets, we demonstrate that RemMCP and RelMCP consistently meet the target coverage with prediction set sizes smaller than or comparable to those of baselines with data split, while considerably reducing variance across calibration runs - a direct consequence of using all available data for shape optimization and calibration simultaneously.
Authors: Matthew D. Laws, Alina Oprea, Cristina Nita-Rotaru
Abstract: Agentic AI governance is a critical component of agentic AI infrastructure ensuring that agents follow their owner's communication and interaction policies, and providing protection against attacks from malicious agents. The state-of-the-art solution, SAGA, assumes a logically centralized point of trust, the Provider, which serves as a repository for user and agent information and actively enforces policies. While SAGA provides protection against malicious agents, it remains vulnerable to a malicious Provider that deviates from the protocol, undermining the security of the identity and access control infrastructure. Deployment on both private and public clouds, each susceptible to insider threats, further increases the risk of Provider compromise. In this work, we analyze the attacks that can be mounted from a compromised Provider, taking into account the different system components and realistic deployments. We identify and execute several concrete attacks with devastating effects: undermining agent attributability, extracting private data, or bypassing access control. We then present three types of solutions for securing the Provider that offer different trade-offs between security and performance. We first present SAGA-BFT, a fully byzantine-resilient architecture that provides the strongest protection, but incurs significant performance degradation, due to the high-cost of byzantine resilient protocols. We then propose SAGA-MON and SAGA-AUD, two novel solutions that leverage lightweight server-side monitoring or client-side auditing to provide protection against most classes of attacks with minimal overhead. Finally, we propose SAGA-HYB, a hybrid architecture that combines byzantine-resilience with monitoring and auditing to trade-off security for performance. We evaluate all the architectures and compare them with SAGA. We discuss which solution is best and under what conditions.
Authors: Yanting Miao, Yutao Sun, Dexin Wang, Mengyu Zhou, Pascal Poupart, Lei Lv, Qi Zhao, Li Wang, Hao Li, Xiaoxi Jiang, Guanjun Jiang
Abstract: Visual latent reasoning lets a multimodal large language model (MLLM) create intermediate visual evidence as continuous tokens, avoiding external tools or image generators. However, existing methods usually follow an output-as-input latent paradigm and yield unstable gains. We identify evidence for a feature-space mismatch that can contribute to this instability: dominant visual-latent models build on pre-norm MLLMs and reuse decoder hidden states as predicted latent inputs, even though these states occupy a substantially different norm regime from the input embeddings the model was trained to consume~\citep{xie2025mhc,li2026siamesenorm,team2026attention}. This mismatch can make direct latent feedback unreliable. Motivated by this diagnosis, we propose \textbf{GAP}, a \textbf{G}ranular \textbf{A}lignment \textbf{P}aradigm for visual latent modeling. GAP aligns visual latent reasoning at three levels: feature-level alignment maps decoder outputs into input-compatible visual latents through a lightweight PCA-aligned latent head; context-level alignment grounds latent targets with inspectable auxiliary visual supervision; and capacity-guided alignment assigns latent supervision selectively to examples where the base MLLM struggles. On Qwen2.5-VL 7B, the resulting model achieves the best mean aggregate perception and reasoning performance among our supervised variants. Inference-time intervention probing further suggests that generated latents provide task-relevant visual signal beyond merely adding token slots.
Authors: Rui Min, Tianyu Pang, Chao Du, Minhao Cheng, Yi R. Fung
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities, but they still frequently produce hallucinations. These hallucinations are difficult to detect in reasoning-intensive tasks, where the content appears coherent but contains errors like logical flaws and unreliable intermediate results. While step-level analysis is commonly used to detect internal hallucinations, it suffers from limited granularity and poor scalability due to its reliance on step segmentation. To address these limitations, we propose TokenHD, a holistic pipeline for training token-level hallucination detectors. Specifically, TokenHD consists of a scalable data engine for synthesizing large-scale hallucination annotations along with a training recipe featuring an importance-weighted strategy for robust model training. To systematically assess the detection performance, we also provide a rigorous evaluation protocol. Through training within TokenHD, our detector operates directly on free-form text to identify hallucinations, eliminating the need for predefined step segmentation or additional text reformatting. Our experiments show that even a small detector (0.6B) achieves substantial performance gains after training, surpassing much larger reasoning models (e.g., QwQ-32B), and detection performance scales consistently with model size from 0.6B to 8B. Finally, we show that our detector can generalize well across diverse practical scenarios and explore strategies to further enhance its cross-domain generalization capability.
Authors: Adam Wynn, Jingyun Wang
Abstract: Automatic detection of speaker confidence is critical for adaptive computing but remains constrained by limited labelled data and the subjectivity of paralinguistic annotations. This paper proposes a semi-supervised hybrid framework that fuses deep semantic embeddings from the Whisper encoder with an interpretable acoustic feature vector composed of eGeMAPS descriptors and auxiliary probability estimates of vocal stress and disfluency. To mitigate reliance on scarce ground truth data, we introduce an Uncertainty-Aware Pseudo-Labelling strategy where a model generates labels for unlabelled data, retaining only high-quality samples for training. Experimental results demonstrate that the proposed approach achieves a Macro-F1 score of 0.751, outperforming self-supervised baselines, including WavLM, HuBERT, and Wav2Vec 2.0. The hybrid architecture also surpasses the unimodal Whisper baseline, yielding a 3\% improvement in the minority class, confirming that explicit prosodic and auxiliary features provide necessary corrective signals which are otherwise lost in deep semantic representations. Ablation studies further show that a curated set of high confidence pseudo-labels outperforms indiscriminate large scale augmentation, confirming that data quality outweighs quantity for perceived confidence detection.
Authors: Hannes B\"uchi, Manon Flageat, Eduardo Sebasti\'an, Amanda Prorok
Abstract: Effective multi-agent cooperation requires agents to adopt diverse behaviors as task conditions evolve-and to do so at the right moment. Yet, current Multi-Agent Reinforcement Learning (MARL) frameworks that facilitate this diversity are still limited by the fact that they bind fixed behaviors to fixed agent identities. Consequently, they are ill-equipped for tasks where agents need to take on different roles at very specific moments in time. We argue that, to define these behavioral transitions, the missing ingredient is $\textbf{events}$. Events are changes in the state of the system that induce qualitative changes in the task. Based on this view, we introduce a framework that decouples agent identity from behavior, capturing a continuous manifold from which agents instantiate their behaviors in response to events. This framework is based on two elements. First, to build an expressive behavior manifold, we introduce Neural Manifold Diversity (NMD), a formal distance metric that remains well-defined when behaviors are transient and agent-agnostic. Second, we use an event-based hypernetwork that generates Low-Rank Adaptation (LoRA) modules over a shared team policy, enabling on-the-fly agent-policy reconfiguration in response to events. We prove that this construction ensures that diversity does not interfere with reward maximization by design. Empirical results demonstrate that our framework outperforms established baselines across benchmarks while exhibiting zero-shot generalization, and being the only method that solves tasks requiring sequential behavior reassignment.
Authors: Luke James Miller, Yugyung Lee
Abstract: Segmenting small and sparse structures in large-scale images is fundamentally constrained by voxel-level, lattice-bound computation and extreme class imbalance -- dense, full-resolution inference scales poorly and forces most pipelines to rely on fixed regionization or downsampling, coupling computational cost to image resolution and attenuating boundary evidence precisely where minority structures are most informative. We introduce SEMIR (Semantic Minor-Induced Representation Learning), a representation framework that decouples inference from the native grid by learning a task-adapted, topology-preserving latent graph representation with exact decoding. SEMIR transforms the underlying grid graph into a compact, boundary-aligned graph minor through parameterized edge contraction, node deletion, and edge deletion, while preserving an exact lifting map from minor predictions to lattice labels. Minor construction is formalized as a few-shot structure learning problem that replaces hand-tuned preprocessing with a boundary-alignment objective: minor parameters are learned by maximizing agreement between predicted boundary elements and target-specific semantic edges under a boundary Dice criterion, and the induced minor is annotated with scale- and rotation-robust geometric and intensity descriptors and supports efficient region-level inference via message passing on a graph neural network (GNN) with relational edge features. We benchmark SEMIR on three tumor segmentation datasets -- BraTS 2021, KiTS23, and LiTS -- where targets exhibit high structural variability and distributional uncertainty. SEMIR yields consistent improvements in minority-structure Dice at practical runtime. More broadly, SEMIR establishes a framework for learning task-adapted, topology-preserving latent representations with exact decoding for high-resolution structured visual data.
Authors: Brian P. Powell, Jorge Martinez-Palomera, Amy Tuson, Christina Hedges, Jessie Dotson, Jordan Caraballo-Vega
Abstract: We present a novel method for extracting moving objects from TESS data using machine learning. Our approach uses two stacked 3D U-Nets with skip connections, which we call a W-Net, to filter background and identify pixels containing moving objects in TESS image time-series data. By augmenting the training data through rotation of the image cubes, our method is robust to differences in speed and direction of asteroids, requiring no assumptions for either parameter range which are typically required in "shift-and-stack" type algorithms. We also developed a novel method for learned data scaling that we call Adaptive Normalization, which allows the neural network to learn the ideal range and scaling distribution required for optimal data processing. We built a code for creating TESS training data with asteroid masks that served as the foundation of our effort (tess-asteroid-ml), which we publicly released for the benefit of the community. Our method is not limited to TESS, but applicable for implementation in other similar time-domain surveys, making it of particular interest for use with data from upcoming missions such as the Nancy Grace Roman Space Telescope and NEOSurveyor.
Authors: Ziwei Su, Imon Banerjee, Diego Klabjan
Abstract: We propose and analyze a model-based bootstrap for transition kernels in finite controlled Markov chains (CMCs) with possibly nonstationary or history-dependent control policies, a setting that arises naturally in offline reinforcement learning (RL) when the behavior policy generating the data is unknown. We establish distributional consistency of the bootstrap transition estimator in both a single long-chain regime and the episodic offline RL regime. The key technical tools are a novel bootstrap law of large numbers (LLN) for the visitation counts and a novel use of the martingale central limit theorem (CLT) for the bootstrap transition increments. We extend bootstrap distributional consistency to the downstream targets of offline policy evaluation (OPE) and optimal policy recovery (OPR) via the delta method by verifying Hadamard differentiability of the Bellman operators, yielding asymptotically valid confidence intervals for value and $Q$-functions. Experiments on the RiverSwim problem show that the proposed bootstrap confidence intervals (CIs), especially the percentile CIs, outperform the episodic bootstrap and plug-in CLT CIs, and are often close to nominal ($50\%$, $90\%$, $95\%$) coverage, while the baselines are poorly calibrated at small sample sizes and short episode lengths.
Authors: Eric Bigelow, Rapha\"el Sarfati, Daniel Wurgaft, Owen Lewis, Thomas McGrath, Jack Merullo, Atticus Geiger, Ekdeep Singh Lubana
Abstract: Large Language Models (LLMs) update their behavior in context, which can be viewed as a form of Bayesian inference. However, the structure of the latent hypothesis space over which this inference operates remains unclear. In this work, we propose that LLMs assign beliefs over a low-dimensional geometric space - a conceptual belief space - and that in-context learning corresponds to a trajectory through this space as beliefs are updated over time. Using story understanding as a natural setting for dynamic belief updating, we combine behavioral and representational analyses to study these trajectories. We find that (1) belief updates are well-described as trajectories on low-dimensional, structured manifolds; (2) this structure is reflected consistently in both model behavior and internal representations and can be decoded with simple linear probes to predict behavior; and (3) interventions on these representations causally steer belief trajectories, with effects that can be predicted from the geometry of the conceptual space. Together, our results provide a geometric account of belief dynamics in LLMs, grounding Bayesian interpretations of in-context learning in structured conceptual representations.
Authors: Neha Verma, Nikhil Mehta, Shao-Chuan Wang, Naijing Zhang, Alicia Tsai, Li Wei, Lukasz Heldt, Lichan Hong, Ed Chi, Xinyang Yi
Abstract: Despite the rapid advancements in large language model (LLM) development, fine-tuning them for specific tasks often results in the catastrophic forgetting of their general, language-based reasoning abilities. This work investigates and addresses this challenge in the context of the Generative Retrieval (GenRetrieval) task. During GenRetrieval fine-tuning, we find this forgetting occurs rapidly and correlates with the distance between the fine-tuned and original model parameters. Given these observations, we propose ORBIT, a novel approach that actively tracks the distance between fine-tuned and initial model weights, and uses a weight averaging strategy to constrain model drift during GenRetrieval fine-tuning when this inter-model distance exceeds a maximum threshold. Our results show that ORBIT retains substantial text and retrieval performance by outperforming both common continual learning baselines and related regularization methods that also employ weight averaging.
Authors: Mannam Veera Narayana, Rohit Singh, Deepa M. R, Radha Krishna Ganti
Abstract: To address the issues of high interruption time and measurement report overhead under user equipment (UE) mobility especially in high speed 5G use cases the use of AI/ML techniques (AI/ML beam management and mobility procedures) have been proposed. These techniques rely heavily on data that are most often simulated for various scenarios and do not accurately reflect real deployment behavior or user traffic patterns. Therefore, there is an utmost need for realistic datasets under various conditions. This work presents a dataset collected from a commercially deployed network across various modes of mobility (pedestrian, bike, car, bus, and train) and at multiple speeds to depict real time UE mobility. When collecting the dataset, we focused primarily on handover (HO) scenarios, with the aim of reducing the HO interruption time and maintaining continuous throughput during and immediately after HO execution. To support this research, the dataset includes timing advance (TA) measurements at various signaling events such as RACH trigger, MAC CE, and PDCCH grant which are typically missing in existing works. We cover a detailed description of the creation of the dataset; experimental setup, data acquisition, and extraction. We also cover an exploratory analysis of the data, with a primary focus on mobility, beam management, and TA. We discuss multiple use cases in which the proposed dataset can facilitate understanding of the inference of the AI/ML model. One such use case is to train and evaluate various AI/ML models for TA prediction.
Authors: Tom Sander, Hongyan Chang, Tom\'a\v{s} Sou\v{c}ek, Tuan Tran, Valeriu Lacatusu, Sylvestre-Alvise Rebuffi, Alexandre Mourachko, Surya Parimi, Christophe Ropers, Rashel Moritz, Vanessa Stark, Hady Elsahar, Pierre Fernandez
Abstract: We introduce TextSeal, a state-of-the-art watermark for large language models. Building on Gumbel-max sampling, TextSeal introduces dual-key generation to restore output diversity, along with entropy-weighted scoring and multi-region localization for improved detection. It supports serving optimizations such as speculative decoding and multi-token prediction, and does not add any inference overhead. TextSeal strictly dominates baselines like SynthID-text in detection strength and is robust to dilution, maintaining confident localized detection even in heavily mixed human/AI documents. The scheme is theoretically distortion-free, and evaluation across reasoning benchmarks confirms that it preserves downstream performance; while a multilingual human evaluation (6000 A/B comparisons, 5 languages) shows no perceptible quality difference. Beyond its use for provenance detection, TextSeal is also ``radioactive'': its watermark signal transfers through model distillation, enabling detection of unauthorized use.
Authors: Linghai Liu, Sinho Chewi
Abstract: We propose an algorithm to sample from composite log-concave distributions over $\mathbb{R}^d$, i.e., densities of the form $\pi\propto e^{-f-g}$, assuming access to gradient evaluations of $f$ and a restricted Gaussian oracle (RGO) for $g$. The latter requirement means that we can easily sample from the density $\text{RGO}_{g,h,y}(x) \propto \exp(-g(x) -\frac{1}{2h}||y-x||^2)$, which is the sampling analogue of the proximal operator for $g$. If $f + g$ is $\alpha$-strongly convex and $f$ is $\beta$-smooth, our sampler achieves $\varepsilon$ error in total variation distance in $\widetilde{\mathcal O}(\kappa \sqrt d \log^4(1/\varepsilon))$ iterations where $\kappa := \beta/\alpha$, which matches prior state-of-the-art results for the case $g=0$. We further extend our results to cases where (1) $\pi$ is non-log-concave but satisfies a Poincar\'e or log-Sobolev inequality, and (2) $f$ is non-smooth but Lipschitz.
Authors: Jose E. Aguilar Escamilla, Lingdong Zhou, Xiangqi Zhu, Huazheng Wang
Abstract: Extreme weather and volatile wholesale electricity markets expose residential consumers to catastrophic financial risks, yet demand response at the distribution level remains an underutilized tool for grid flexibility and energy affordability. While a demand-response program can shield consumers by issuing financial credits during high-price periods, optimizing this sequential decision-making process presents a unique challenge for reinforcement learning despite the plentiful offline historical smart meter and wholesale pricing data available publicly. Offline historical data fails to capture the dynamic, interactive feedback loop between an electric utility's pricing signals and customer acceptance and adaptation to a demand-response program. To address this, we introduce DR-Gym, an open-source, online Gymnasium-compatible environment designed to train and evaluate demand-response from the electric utility's perspective. Unlike existing device-level energy simulators, our environment focuses on the market-level electric utility setting and provides a rich observational space relevant to the electric utility. The simulator additionally features a regime-switching wholesale price model calibrated to real-world extreme events, alongside physics-based building demand profiles. For our learning signal, we use a configurable, multi-objective reward function for specifying diverse learning objectives. We demonstrate through baseline strategies and data snapshots the capability of our simulator to create realistic and learnable environments.
Authors: Ariel Gera, Shir Ashury-Tahan, Gal Bloch, Ohad Eytan, Assaf Toledo
Abstract: We explore the effectiveness of an LLM-guided query refinement paradigm for extending the usability of embedding models to challenging zero-shot search and classification tasks. Our approach refines the embedding representation of a user query using feedback from a generative LLM on a small set of documents, enabling embeddings to adapt in real time to the target task. We conduct extensive experiments with state-of-the-art text embedding models across a diverse set of challenging search and classification benchmarks. Empirical results indicate that LLM-guided query refinement yields consistent gains across all models and datasets, with relative improvements of up to +25% in literature search, intent detection, key-point matching, and nuanced query-instruction following. The refined queries improve ranking quality and induce clearer binary separation across the corpus, enabling the embedding space to better reflect the nuanced, task-specific constraints of each ad-hoc user query. Importantly, this expands the range of practical settings in which embedding models can be effectively deployed, making them a compelling alternative when costly LLM pipelines are not viable at corpus-scale. We release our experimental code for reproducibility, at https://github.com/IBM/task-aware-embedding-refinement.
URLs: https://github.com/IBM/task-aware-embedding-refinement.
Authors: Alan Z. Song, Yinjie Chen, Mu Nan, Rui Zhang, Jiahang Cao, Weijian Mai, Muquan Yu, Hossein Adeli, Deva Ramanan, Michael J. Tarr, Andrew F. Luo
Abstract: Vision Transformers (ViTs) achieve strong data-driven scaling by leveraging all-to-all self-attention. However, this flexibility incurs a computational cost that scales quadratically with image resolution, limiting ViTs in high-resolution domains. Underlying this approach is the assumption that pairwise token interactions are necessary for learning rich visual-semantic representations. In this work, we challenge this assumption, demonstrating that effective visual representations can be learned without any direct patch-to-patch interaction. We propose VECA (Visual Elastic Core Attention), a vision transformer architecture that uses efficient linear-time core-periphery structured attention enabled by a small set of learned cores. In VECA, these cores act as a communication interface: patch tokens exchange information exclusively through the core tokens, which are initialized from scratch and propagated across layers. Because the $N$ image patches only directly interact with a resolution invariant set of $C$ learned "core" embeddings, this yields linear complexity $O(N)$ for predetermined $C$, which bypasses quadratic scaling. Compared to prior cross-attention architectures, VECA maintains and iteratively updates the full set of $N$ input tokens, avoiding a small $C$-way bottleneck. Combined with nested training along the core axis, our model can elastically trade off compute and accuracy during inference. Across classification and dense tasks, VECA achieves performance competitive with the latest vision foundation models while reducing computational cost. Our results establish elastic core-periphery attention as a scalable alternative building block for Vision Transformers.
Authors: Runhui Huang, Jie Wu, Rui Yang, Zhe Liu, Hengshuang Zhao
Abstract: In this paper, we propose AlphaGRPO, a novel framework that applies Group Relative Policy Optimization (GRPO) to AR-Diffusion Unified Multimodal Models (UMMs) to enhance multimodal generation capabilities without an additional cold-start stage. Our approach unlocks the model's intrinsic potential to perform advanced reasoning tasks: Reasoning Text-to-Image Generation, where the model actively infers implicit user intents, and Self-Reflective Refinement, where it autonomously diagnoses and corrects misalignments in generated outputs. To address the challenge of providing stable supervision for real-world multimodal generation, we introduce the Decompositional Verifiable Reward (DVReward). Unlike holistic scalar rewards, DVReward utilizes an LLM to decompose complex user requests into atomic, verifiable semantic and quality questions, which are then evaluated by a general MLLM to provide reliable and interpretable feedback. Extensive experiments demonstrate that AlphaGRPO yields robust improvements across multimodal generation benchmarks, including GenEval, TIIF-Bench, DPG-Bench and WISE, while also achieving significant gains in editing tasks on GEdit without training on editing tasks. These results validate that our self-reflective reinforcement approach effectively leverages inherent understanding to guide high-fidelity generation. Project page: https://huangrh99.github.io/AlphaGRPO/
Authors: Juan Zhong, Yuhang Shi, Zukang Xu, Xi Chen
Abstract: Transformer-based models are becoming a central paradigm in autonomous driving because they can capture long-range spatial dependencies, multi-agent interactions, and multimodal context across perception, prediction, and planning. At the same time, their deployment in real vehicles remains difficult because high-capacity attention-based architectures impose substantial latency, memory, and energy overhead. This survey reviews representative Transformer-based autonomous driving models and organizes them by task role, sensing configuration, and architectural design. More importantly, it examines these models from a deployment-oriented perspective and analyzes how efficiency constraints reshape model design choices in practice. We further review compression and acceleration strategies relevant to Transformer-based driving systems, including quantization, pruning, knowledge distillation, low-rank approximation, and efficient attention, and discuss their benefits, limitations, and task-dependent applicability. Rather than treating compression as an isolated post-processing step, we highlight it as a system-level design consideration that directly affects deployability, robustness, and safety. Finally, we identify open challenges and future research directions toward standardized, safety-aware, and hardware-conscious evaluation of efficient autonomous driving systems.
Authors: Christian Intern\`o, Elena Raponi, Markus Olhofer, Ali Raza, Thomas B\"ack, Niki van Stein, Yaochu Jin, Barbara Hammer
Abstract: The practical deployment of Federated Learning (FL) on resource-constrained devices is fundamentally limited by the high cost of training large models and the instability caused by heterogeneous (non-IID) client data. Conventional pruning methods often treat data heterogeneity as a problem to be mitigated. In this work, we introduce a paradigm shift: we reframe client diversity as a feature to be harnessed. We propose AutoFLIP, a framework that begins not with training, but with a one-time federated loss exploration. During this phase, clients collaboratively build a map of the collective loss landscape, using their diverse data to reveal the problem's essential structure. This shared intelligence then guides an adaptive pruning strategy that is dynamically refined by client agreement throughout training. This approach allows AutoFLIP to identify robust and efficient sub-networks from the outset. Our extensive experiments show that AutoFLIP reduces computational overhead by an average of 52% and communication costs by over 65% while simultaneously achieving state-of-the-art accuracy in challenging non-IID settings.
Authors: Zhi-Yi Chin, Pin-Yu Chen, Wei-Chen Chiu, Mario Fritz
Abstract: Understanding the capabilities of text-to-image (T2I) models in harmful content generation is essential to safety and compliance. However, human red-teaming is costly and inconsistent, driving the need for automatic tools that simulate realistic misuse attempts. Existing methods either require white-box access, fail to generalize across defenses, or produce uninterpretable adversarial tokens, while generating fluent prompts that preserve the original harmful intent remains underexplored despite its practical relevance. We propose ICER, a black-box framework that addresses this gap through two components: an LLM-based rewriter that produces fluent, natural-language adversarial prompts, and in-context experience replay that accumulates successful jailbreaking patterns into a reusable prior. These components are integrated via bandit optimization, enabling ICER to efficiently balance exploiting proven attack strategies with exploring new ones. Experiments across six safety mechanisms show that ICER outperforms seven baselines under both standard and semantics-preserving evaluation, with over 30% of generated prompts transferring to commercial systems like DALL-E 3 and Midjourney.
Authors: Weiguo Pian, Shijian Deng, Shentong Mo, Mingrui Liu, Yunhui Guo, Yapeng Tian
Abstract: In this paper, we introduce Modality-Inconsistent Continual Learning (MICL), a new continual learning scenario for Multimodal Large Language Models (MLLMs) that involves tasks with inconsistent modalities (image, audio, or video) and varying task types (captioning or question-answering). Unlike existing vision-only or modality-incremental settings, MICL combines modality and task type shifts, both of which drive catastrophic forgetting. To address these challenges, we propose MoInCL, which employs a Pseudo Targets Generation Module to mitigate forgetting caused by task type shifts in previously seen modalities. It also incorporates Instruction-based Knowledge Distillation to preserve the model's ability to handle previously learned modalities when new ones are introduced. We benchmark MICL using a total of six tasks and conduct experiments to validate the effectiveness of our MoInCL. The experimental results highlight the superiority of MoInCL, showing significant improvements over representative and state-of-the-art continual learning baselines.
Authors: Vignesh Tirukkonda, Anirudh Rayas, Gautam Dasarathy
Abstract: Gaussian graphical model selection is usually studied under independent sampling, but in many applications observations arise from dependent dynamics. We study structure learning when the data consist of a single trajectory of Gaussian Glauber dynamics. We develop two complementary approaches. The first is a local edge-testing estimator based on an appropriately designed correlation test that reveals edges. This estimator does not require waiting for the chain to mix and admits an embarrassingly parallel edgewise implementation. The second is a burn-in/thinning reduction: under a Dobrushin contraction condition, we prove that a suitably subsampled Gaussian Gibbs trajectory is close in total variation to an i.i.d. product sample, allowing standard i.i.d. Gaussian graphical model learners to be used as black boxes. The key technical ingredient, which may be of independent interest, is a high-dimensional total-variation bound for random-scan Gaussian Gibbs samplers, obtained by combining Wasserstein contraction with an approximate Lipschitz smoothing argument. We prove finite-sample recovery guarantees for both approaches, establish information-theoretic lower bounds on the observation time, and empirically compare the resulting sample-computation tradeoffs.
Authors: Christoph Lehmann, Yahor Paromau
Abstract: Machine learning models are often evaluated using point estimates of performance metrics such as accuracy, F1 score, or mean squared error. Such summaries fail to capture the inherent variability induced by stochastic elements of the training process, including data splitting, initialization, and hyperparameter optimization. This work proposes a distributional perspective on model evaluation by treating performance metrics as random quantities rather than fixed values. Instead of focusing solely on aggregate measures, empirical distributions of performance metrics are analyzed using quantiles and corresponding confidence intervals. The study investigates point and interval estimation of quantiles based on real-data use cases for classification and regression tasks, complemented by simulation studies for validation. Special emphasis is placed on small sample sizes, reflecting practical constraints in machine learning, where repeated training is computationally expensive. The results show that meaningful statistical inference on the underlying performance distribution is feasible even with sample sizes in the range of 10-25, while standard nonparametric confidence interval remain applicable under these conditions. The proposed approach provides a more detailed characterization of variability and uncertainty compared to mean-based evaluation and enables a more differentiated comparison of models. In particular, it supports a risk-oriented interpretation of model performance, which is relevant in applications where reliability is critical. The presented methods are easy to implement and broadly applicable, making them a practical extension to standard performance evaluation procedures in machine learning.
Authors: Yingdan Shi, Sijia Liu, Kaize Ding, Ren Wang
Abstract: Machine unlearning seeks to remove the influence of specified data from a trained model. While the unlearning accuracy provides a widely used metric for assessing unlearning performance, it falls short in assessing the reliability of forgetting. In this paper, we find that the forgetting data points misclassified by unlearning accuracy still have their ground truth labels included in the conformal prediction set from the uncertainty quantification perspective, leading to a phenomenon we term fake forgetting. To address this issue, we propose a novel metric CR, inspired by conformal prediction, that offers a more reliable assessment of forgetting quality. Building on these insights, we further propose an unlearning framework CPU that incorporates conformal prediction into the Carlini & Wagner adversarial attack loss, enabling the ground truth label to be effectively removed from the conformal prediction set. Through extensive experiments on image classification tasks, we demonstrate both the effectiveness of our proposed metric and the superior forgetting quality achieved by our framework. Code is available at https://github.com/TIML-Group/Conformal-Prediction-Unlearning.
URLs: https://github.com/TIML-Group/Conformal-Prediction-Unlearning.
Authors: Mohammad Shahverdikondori, Amir Mohammad Abouei, Alireza Rezaeimoghadam, Negar Kiyavash
Abstract: We introduce the problem of best arm identification (BAI) with post-action context, a new BAI problem in a stochastic multi-armed bandit environment and the fixed-confidence setting. The problem addresses the scenarios in which the learner receives a post-action context in addition to the reward after playing each action. This post-action context provides additional information that can significantly facilitate the decision process. We analyze two different types of the post-action context: (i) separator, where the reward depends solely on the context, and (ii) non-separator, where the reward depends on both the action and the context. For both cases, we derive instance-dependent lower bounds on the sample complexity and propose algorithms that asymptotically achieve the optimal sample complexity. For the separator setting, we propose a novel sampling rule called G-tracking, which uses the geometry of the context space to directly track the contexts rather than the actions. For the non-separator setting, we do so by demonstrating that the Track-and-Stop algorithm can be extended to this setting. Moreover, in both settings, we theoretically and empirically show that algorithms that ignore the post-action context are sub-optimal. Finally, our empirical results showcase the advantage of our approaches compared to the state of the art.
Authors: Nir Rosenfeld, Haifeng Xu
Abstract: Decades of research in machine learning have given us powerful tools for making accurate predictions. But when used in social settings and on human inputs, better accuracy does not immediately translate to better social outcomes. To effectively promote social well-being through machine learning, this position article advocates for the wide adoption of \emph{social welfare} as a guiding principle. The field of welfare economics asks: how should we allocate limited resources to self-interested agents in a way that maximizes social benefit? We argue that this perspective applies to many modern applications of machine learning in social contexts. As such, we propose that welfare serves as an additional core criterion in the design, study, and use of learning algorithms, complementing the conventional pillars of optimization, generalization, and expressivity, and as a compass guiding both theory and practice.
Authors: Shengyao Lu, Jiuding Yang, Aedan J. DeFrates, Keith G. Mills, Baochun Li, Di Niu
Abstract: We propose a novel model-level GNN explanation framework that shifts the explanation target from class-wise rule extraction to rule-based logit reconstruction. Our method recasts the graph-level readout of a pretrained GNN as a weighted rule-level readout: grounded subgraph concepts are composed into logical rules, rule embeddings are computed directly from their symbolic structure, and active rules are passed through the frozen classifier head to reconstruct the GNN's raw multiclass logits. As a result, our approach provides global explanations that remain instantiable on unseen graphs, support subgraph-level grounding, and admit rule-level contribution analysis at test-time. Experiments on three synthetic and two real-world graph classification benchmarks show that our approach faithfully reconstructs the base GNN's raw multiclass logits, achieving high probability-level fidelity across datasets. Rule-level ablations further demonstrate that the identified critical rules actively support the predicted class while suppressing non-target classes, suggesting that they act as functional units rather than merely serving as post-hoc symbolic artifacts. Compared with prior class-wise rule-based explainers, our approach achieves competitive or better prediction agreement while being up to \(20\times\) faster, and additionally provides rule weights, test-time grounding, and logit-level contribution analysis.
Authors: Sergei Berezin, Reza Farahbakhsh, Noel Crespi
Abstract: Toxicity detection has become core safety infrastructure for online moderation, dataset filtering, and deployed language-model systems. Yet most detectors still treat toxicity as an intrinsic property of isolated text. This position paper argues that toxicity detection should be evaluated as the contextual measurement of situated communicative harm, rather than as single-label text classification. Toxicity is not contained in words alone; it emerges when a communicative act is interpreted by an audience within a normative and social context. We introduce the Contextual Stress Framework (CSF), which defines toxicity as a relation between perceived norm violation and induced stress or disruption. CSF explains why text-intrinsic detectors overflag dialectal or reclaimed language, miss coded or pragmatic abuse, and remain brittle under meaning-preserving transformations. We propose CSF-Eval, an evaluation agenda that separates text risk, norm violation, disruption, uncertainty, and policy action.
Authors: Nero Z. Li, Xuehao Zhai, Zhichao Shi, Boshen Shi, Xuhui Jiang
Abstract: Graph Contrastive Learning (GCL) relies on semantically consistent graph augmentations, but common local perturbations provide limited control over global structural consistency, motivating a more principled global augmentation strategy. We therefore propose Fractal Graph Contrastive Learning (FractalGCL), a theory-motivated framework that constructs a renormalisation-based augmented graph and introduces a fractal-dimension-aware contrastive loss that penalises unreliable positive views and reweights negative-pair repulsion by finite-scale box-counting discrepancies. However, computing these discrepancies introduces substantial overhead, so we derive and justify a Gaussian surrogate that avoids repeated box-counting on renormalised graphs, yielding about a $61\%$ runtime reduction. Experiments show that FractalGCL serves as an effective frozen-pretraining tool on MalNet-Tiny, achieves strong performance on the standard TUDataset benchmarks, and outperforms the next-best method on real-world urban traffic tasks by $4.51$ percentage points in average accuracy. Code is available at https://anonymous.4open.science/r/FractalGCL-0511/.
Authors: Ruizhe Shi, Minhak Song, Runlong Zhou, Zihan Zhang, Maryam Fazel, Simon S. Du
Abstract: We present a fine-grained theoretical analysis of the performance gap between two-stage reinforcement learning from human feedback~(RLHF) and direct preference optimization~(DPO). Our study decomposes this gap into two sources: the explicit representation gap under exact optimization and the implicit representation gap under finite samples. In the exact optimization setting, we characterize how the relative capacities of the reward and policy model classes influence the final policy qualities. We show that RLHF, DPO, or online DPO can outperform one another depending on type of model mis-specifications. Notably, online DPO can outperform both RLHF and standard DPO when the reward and policy model classes are isomorphic and both mis-specified. In the approximate optimization setting, we provide a concrete construction where the ground-truth reward is sparse and show that RLHF requires significantly fewer samples than DPO to recover an effective reward model, highlighting a statistical advantage of two-stage learning. Together, these results provide a comprehensive understanding of the performance gap between RLHF and DPO under various settings, and offer practical insights into when each method is preferred.
Authors: Uros Zivanovic, Serafina Di Gioia, Andre Scaffidi, Mart\'in de los Rios, Gabriella Contardo, Roberto Trotta
Abstract: Applying Transformers to irregular time-series typically requires specializations to their baseline architecture, which can result in additional computational overhead and increased method complexity. We present the Rotary Masked Autoencoder (RoMAE), which utilizes the popular Rotary Positional Embedding (RoPE) method for continuous positions. RoMAE is an extension to the Masked Autoencoder (MAE) that enables interpolation and representation learning with multidimensional continuous positional information while avoiding any time-series-specific architectural specializations. We showcase RoMAE's performance on a variety of modalities including irregular and multivariate time-series, images, and audio, demonstrating that RoMAE surpasses specialized time-series architectures on difficult datasets such as the DESC ELAsTiCC Challenge while maintaining MAE's usual performance across other modalities. In addition, we investigate RoMAE's ability to reconstruct the embedded continuous positions, demonstrating that including learned embeddings in the input sequence breaks RoPE's relative position property.
Authors: Ryota Ushio, Takashi Ishida, Masashi Sugiyama
Abstract: While the performance of machine learning systems has experienced significant improvement in recent years, relatively little attention has been paid to the fundamental question: to what extent can we improve our models? This paper provides a means of answering this question in the setting of binary classification, which is practical and theoretically supported. We extend a previous work that utilizes soft labels for estimating the Bayes error, the optimal error rate, in two important ways. First, we theoretically investigate the properties of the bias of the hard-label-based estimator discussed in the original work. We reveal that the decay rate of the bias is adaptive to how well the two class-conditional distributions are separated, and it can decay significantly faster than the previous result suggested as the number of hard labels per instance grows. Second, we tackle a more challenging problem setting: estimation with corrupted soft labels. One might be tempted to use calibrated soft labels instead of clean ones. However, we reveal that calibration guarantee is not enough, that is, even perfectly calibrated soft labels can result in a substantially inaccurate estimate. Then, we show that isotonic calibration can provide a statistically consistent estimator under an assumption weaker than that of the previous work. Our method is instance-free, i.e., we do not assume access to any input instances. This feature allows it to be adopted in practical scenarios where the instances are not available due to privacy issues. Experiments with synthetic and real-world datasets show the validity of our methods and theory. The code is available at https://github.com/RyotaUshio/bayes-error-estimation.
Authors: Cornelius V. Braun, Sayantan Auddy, Marc Toussaint
Abstract: Being able to solve a task in diverse ways makes agents more robust to task variations and less prone to local optima. In this context, constrained diversity optimization has become a useful reinforcement learning (RL) framework for training a set of diverse agents in parallel. However, existing constrained-diversity RL methods often under-explore in complex tasks such as robot manipulation, resulting in limited behavioral diversity. We address this with a two-stage curriculum that introduces a spline-based trajectory prior as an inductive bias to produce diverse, high-reward behaviors in an initial stage, and then distills these behaviors into reactive, step-wise policies in a second stage. In our empirical evaluation, we provide novel insights into challenges of diversity-targeted training and show that our curriculum increases the diversity of learned skills while maintaining high task performance.
Authors: Nikolaos Gkorgkolis, Nikolaos Kougioulis, MingXue Wang, Bora Caglayan, Andrea Tonon, Dario Simionato, Ioannis Tsamardinos
Abstract: We address the problem of generating simulated, yet realistic, time-series data from a causal model with the same observational and interventional distributions as a given real dataset (probabilistic causal digital twin). While non-causal models (e.g., GANs) also strive to simulate realistic data, causal models are fundamentally more powerful, able to simulate the effect of interventions (what-if scenarios), optimize decisions, perform root-cause analysis, and counterfactual causal reasoning. We introduce the Adversarial Causal Tuning (ACT) methodology, which outputs the optimal causal model that fits the data, along with a quantification of the goodness-of-fit. The returned causal model can then be employed to simulate new data or to perform other causal reasoning tasks. ACT adopts ideas from Generative Adversarial Network training and AutoML to search for optimal causal pipelines and discriminators that detect deviations between the distributions of real and simulated data. It also adapts a permutation testing procedure from established causal tuning methods to penalize models for complexity. Through extensive experiments on real, semi-synthetic, and synthetic datasets, we show that (a) employing multiple optimized discriminators is paramount for selecting the optimal causal models and quantifying goodness-of-fit, (b) ACT selects the optimal causal model in synthetic datasets while avoiding overfitting, generating data indistinguishable from the true data distribution (c) all state-of-the-art generative and causal simulation methods, exhibit room for improvement in reproducing real data distributions; generating realistic temporal data is still an open research challenge.
Authors: Chongyi Zheng, Seohong Park, Sergey Levine, Benjamin Eysenbach
Abstract: Large-scale pre-training has fundamentally changed how machine learning research is done today: large foundation models are trained once, and then can be used by anyone in the community (including those without data or compute resources to train a model from scratch) to adapt and fine-tune to specific tasks. Applying this same framework to reinforcement learning (RL) is appealing because it offers compelling avenues for addressing core challenges in RL, including sample efficiency and robustness. However, there remains a fundamental challenge to pre-train large models in the context of RL: actions have long-term dependencies, so training a foundation model that reasons across time is important. Recent advances in generative AI have provided new tools for modeling highly complex distributions. In this paper, we build a probabilistic model to predict which states an agent will visit in the temporally distant future (i.e., an occupancy measure) using flow matching. As large datasets are often constructed by many distinct users performing distinct tasks, we include in our model a latent variable capturing the user intention. This intention increases the expressivity of our model, and enables adaptation with generalized policy improvement. We call our proposed method intention-conditioned flow occupancy models (InFOM). Comparing with alternative methods for pre-training, our experiments on $36$ state-based and $4$ image-based benchmark tasks demonstrate that the proposed method achieves $1.8 \times$ median improvement in returns and increases success rates by $36\%$. Website: https://chongyi-zheng.github.io/infom Code: https://github.com/chongyi-zheng/infom
URLs: https://chongyi-zheng.github.io/infom, https://github.com/chongyi-zheng/infom
Authors: Javier Sanguino Bautiste, Thomas Kehrenberg, Jose A. Lozano, Novi Quadrianto
Abstract: Machine Learning systems are increasingly deployed in decision-making settings that shape user behavior and, in turn, the data on which future decisions are based. Performative Prediction (PP) formalizes this feedback loop by modeling how deployed models induce distributional shifts. It studies how to learn robust and well-performing models under such dynamics. However, existing PP frameworks typically assume that the model governing these decisions is the same model observed by users (therefore, to which they respond). In practice, deployer institutions may instead disclose curated models, while internally relying on distinct opaque models. We introduce Decoupled Performative Prediction (DPP), a framework that explicitly models mismatches between the model governing institutional decisions and the model that shapes user behavior. By analyzing the resulting optimization landscape, we show that DPP admits new different solutions that provably achieve lower risk for the institution than those under classical PP. We further propose an algorithm with provable convergence guarantees under standard assumptions, demonstrating how easy institutions can benefit from strategically deceptive deployment when they control model disclosure and users lack countervailing power. To capture the implications of such behavior, we introduce the deception cost, a quantitative measure of the degree of deception experienced by users. We study settings in which institutions incorporate this cost into the optimization process, motivated by reputational concerns or potential user abandonment, and show that such self-imposed constraints are insufficient to protect users. Overall, our results demonstrate that model disclosure is not merely an ethical consideration but a core technical design decision, underscoring the need for regulations that hold institutions accountable for deceptive deployment practices.
Authors: Tanmay Goyal, Gaurav Sinha
Abstract: We study the Logistic Contextual Slate Bandit problem, where, at each round, an agent selects a slate of $N$ items from an exponentially large set (of size $2^{\Omega(N)}$) of candidate slates provided by the environment. A single binary reward, determined by a logistic model, is observed for the chosen slate. Our objective is to develop algorithms that maximize cumulative reward over $T$ rounds while maintaining low per-round computational costs. We propose two algorithms, Slate-GLM-OFU and Slate-GLM-TS, that accomplish this goal. These algorithms achieve $N^{O(1)}$ per-round time complexity via local planning (independent slot selections), and low regret through global learning (joint parameter estimation). We provide theoretical and empirical evidence supporting these claims. Under a well-studied diversity assumption, we prove that Slate-GLM-OFU incurs only $\tilde{O}(\sqrt{T})$ regret. Extensive experiments across a wide range of synthetic settings demonstrate that our algorithms consistently outperform state-of-the-art baselines, achieving both the lowest regret and the fastest runtime. Furthermore, we apply our algorithm to select in-context examples in prompts of Language Models for solving binary classification tasks such as sentiment analysis. Our approach achieves competitive test accuracy, making it a viable alternative in practical scenarios.
Authors: Yisak Park, Sunwoo Lee, Seungyul Han
Abstract: Cooperative multi-agent reinforcement learning (MARL) under sparse rewards remains fundamentally challenging because agents often fail to concentrate their influence, leading to insufficiently coordinated exploration. To address this, we propose the Focusing Influence Mechanism (FIM), a framework that encourages agents to focus their influence on under-explored parts of the state space through an entropy-based criterion, while leveraging eligibility traces to enable multiple agents to consistently align and sustain their influence on the same parts of the state space when beneficial, thereby promoting coordinated and persistent joint behavior. By emphasizing under-explored regions of the state space, FIM facilitates more efficient and structured exploration even under extremely sparse rewards. Across diverse MARL benchmarks, FIM consistently improves cooperative performance over strong baselines.
Authors: Cooper Doyle, Andy Hu, Rebecca Chan, Anna Leontjeva
Abstract: Low-rank adaptation is effective partly because downstream updates lie in a low-dimensional subspace, but the latent rank coordinates of LoRA are not identifiable: any invertible reparameterization of the adapter factors leaves the weight update unchanged. We show that variational inference with a diagonal rank-wise posterior turns this non-identifiability into a useful inductive bias. By breaking LoRA's rotational gauge symmetry, the variational objective selects a preferred basis in rank space, enabling automatic relevance determination over rank directions. This yields Low-Rank Variational Dropout (LRVD), a Bayesian framework that performs inference directly in the low-rank adaptation space rather than the ambient weight space. As an instantiation, BayesLoRA jointly learns effective adapter rank and predictive uncertainty with only $\mathcal{O}(r)$ additional parameters. Empirically, BayesLoRA induces stable rank structure aligned with the dominant singular directions of learned updates, yields compact predictive calibration and matches or exceeds strong low-rank sparsification baselines at comparable training cost.
Authors: Cooper Doyle
Abstract: Accurate individual treatment-effect estimation demands not only reliable point predictions but also uncertainty measures that help practitioners \emph{locate} the source of model failure. We introduce a layer-wise variance decomposition for deep twin-network models: by toggling Monte Carlo Dropout independently in the shared encoder and the outcome heads, we split total predictive variance into an \emph{encoder component} ($\sigma_{\mathrm{enc}}^2$) and a \emph{head component} ($\sigma_{\mathrm{head}}^2$), with $\sigma_{\mathrm{enc}}^2 + \sigma_{\mathrm{head}}^2 \approx \sigma_{\mathrm{tot}}^2$ by the law of total variance. Across three synthetic covariate-shift regimes, the encoder component dominates under distributional shift ($\rho_{\mathrm{enc}}=0.53$) while the head component becomes informative only once encoder uncertainty is controlled. On a real-world twins cohort with induced multivariate shift, only $\sigma_{\mathrm{enc}}^2$ spikes on out-of-distribution samples and becomes the primary error predictor ($\rho_{\mathrm{enc}}\!\approx\!0.89$), while $\sigma_{\mathrm{head}}^2$ remains flat. The decomposition adds negligible cost over standard MC Dropout and provides a practical diagnostic for deciding whether to collect more diverse covariates or more outcome data.
Authors: Alice Zhang, Callihan Bertley, Dawei Liang, Edison Thomaz
Abstract: Social interactions play a crucial role in shaping human behavior, relationships, and societies. It encompasses various forms of communication, such as verbal conversation, non-verbal gestures, facial expressions, and body language. In this work, we develop a novel computational approach to detect face-to-face verbal conversations, a foundational aspect of human social interactions. We leverage multimodal data captured by a commodity smartwatch, specifically synchronizing microphone audio with 6-axis inertial signals (accelerometer and gyroscope). We design, train, and evaluate convolutional and attention-based neural networks using three different fusion methods to integrate the audio and motion modalities. To validate this framework, we conduct a lab study with 11 participants and a semi-naturalistic study with 24 participants. Our comprehensive evaluation demonstrates that fusing inertial data with audio significantly improves detection performance by capturing non-verbal conversational dynamics. Overall, our framework achieved 82.0$\pm$3.0% macro F1-score when detecting conversations in the lab and 77.2$\pm$1.8% in the semi-naturalistic setting. Lastly, we demonstrate real-time conversation detection by deploying our trained model to a user application running on a commercial smartwatch.
Authors: Sushant Vijayan, Arun Suggala, Karthikeyan Shanmugam, Soumyabrata Pal
Abstract: We consider the problem of online regret minimization in linear bandits with access to prior observations (offline data) from the underlying bandit model. There are numerous applications where extensive offline data is often available, such as in recommendation systems, online advertising. Consequently, this problem has been studied intensively in recent literature. Our algorithm, Offline-Online Phased Elimination (OOPE), effectively incorporates the offline data to substantially reduce the online regret compared to prior work. To leverage offline information prudently, OOPE uses an extended D-optimal design within each exploration phase. OOPE achieves an online regret is $\tilde{O}(\sqrt{\deff T \log \left(|\mathcal{A}|T\right)}+d^2)$. $\deff \leq d)$ is the effective problem dimension which measures the number of poorly explored directions in offline data and depends on the eigen-spectrum $(\lambda_k)_{k \in [d]}$ of the Gram matrix of the offline data. The eigen-spectrum $(\lambda_k)_{k \in [d]}$ is a quantitative measure of the \emph{quality} of offline data. If the offline data is poorly explored ($\deff \approx d$), we recover the established regret bounds for purely online setting while, when offline data is abundant ($\Toff >> T$) and well-explored ($\deff = o(1) $), the online regret reduces substantially. Additionally, we provide the first known minimax regret lower bounds in this setting that depend explicitly on the quality of the offline data. These lower bounds establish the optimality of our algorithm in regimes where offline data is either well-explored or poorly explored. Finally, by using a Frank-Wolfe approximation to the extended optimal design we further improve the $O(d^{2})$ term to $O\left(\frac{d^{2}}{\deff} \min \{ \deff,1\} \right)$, which can be substantial in high dimensions with moderate quality of offline data $\deff = \Omega(1)$.
Authors: Guillermo Sarasa, Ana Granados, Francisco de Borja Rodr\'iguez
Abstract: Compression-based dissimilarities (CD) offer a flexible and domain-agnostic means of measuring similarity by identifying implicit information through redundancies between data objects. However, as similarity features are derived from the data, rather than defined as an input, it often proves difficult to align with the task at hand, particularly in complex clustering or classification settings. To address this issue, we introduce "context steering", a novel methodology that actively guides the feature-shaping process. Instead of passively accepting the emergent data structure (typically a hierarchy derived from clustering CDs), our approach "steers" the process by systematically analyzing how each object influences the relational context within a clustering framework. This process generates a custom-tailored embedding that isolates and amplifies class-distinctive information. We validate this supervised context-steering strategy using Normalized Compression Distance (NCD) and Relative Compression Distance (NRC) combined with hierarchical clustering, and evaluate the learned embeddings through both classification performance and cluster-quality metrics. Experiments on heterogeneous datasets-from text to real-world audio-show that the proposed approach yields robust task-oriented embeddings from compression dissimilarities, moving from traditional transductive uses of distance matrices to an inductive representation that can be applied to unseen data.
Authors: Su Hyeong Lee, Risi Kondor, Richard Ngo
Abstract: We develop a theory of intelligent agency grounded in probabilistic modeling for neural models. Agents are represented as outcome distributions with epistemic utility given by log score, and compositions are defined through weighted logarithmic pooling that strictly improves every member's welfare. We prove that strict unanimity is impossible under linear pooling or in binary outcome spaces, but possible with three or more outcomes. Our framework admits recursive structure via cloning invariance, continuity, and openness, while tilt-based analysis rules out trivial duplication. Finally, we formalize an agentic alignment phenomenon in LLMs using our theory: eliciting a benevolent persona ("Luigi'") induces an antagonistic counterpart ("Waluigi"), while a manifest-then-suppress Waluigi strategy yields strictly larger first-order misalignment reduction than pure Luigi reinforcement alone. These results clarify how developing a principled mathematical framework for how subagents can coalesce into coherent higher-level entities provides novel implications for alignment in agentic AI systems.
Authors: Reza Asad, Reza Babanezhad, Sharan Vaswani
Abstract: While Soft Actor-Critic (SAC) is highly effective in continuous control, its discrete counterpart (DSAC) performs poorly on challenging discrete-action domains such as Atari. Consequently, starting from DSAC, we revisit the design of actor-critic methods in this setting. First, we determine that the coupling between the actor and critic entropy is the primary reason behind the poor performance of DSAC. We demonstrate that by merely decoupling these components, DSAC's performance significantly improves. Motivated by this insight, we introduce a flexible off-policy actor-critic framework that subsumes DSAC as a special case and yields novel objectives. Our framework allows using an m-step Bellman operator for the critic update, and instantiates the actor objective by combining standard policy optimization methods with entropy regularization. Theoretically, we prove that the proposed methods can guarantee convergence to the optimal regularized value function in the tabular setting, generalizing the results in prior work. Empirically, we evaluate the proposed objectives on standard Atari games. Our ablations indicate that, unlike DSAC, these objectives, including novel ones, perform robustly even without entropy regularization or explicit exploration mechanisms.
Authors: Xiangfei Qiu, Yuhan Zhu, Zhengyu Li, Xingjian Wu, Bin Yang, Jilin Hu
Abstract: Time series forecasting is essential in various domains. Compared to relying solely on endogenous variables (i.e., target variables), considering exogenous variables (i.e., covariates) provides additional predictive information and often leads to more accurate predictions. However, existing methods for time series forecasting with exogenous variables (TSF-X) have the following shortcomings: 1) they do not leverage future exogenous variables, 2) they fail to fully account for the correlation between endogenous and exogenous variables. In this study, to better leverage exogenous variables, especially future exogenous variables, we propose DAG, which utilizes Dual correlAtion network along both the temporal and channel dimensions for time series forecasting with exoGenous variables. Specifically, we propose two core components: the Temporal Correlation Module and the Channel Correlation Module. Both modules consist of a correlation discovery submodule and a correlation injection submodule. The former is designed to capture the correlation effects of historical exogenous variables on future exogenous variables and on historical endogenous variables, respectively. The latter injects the discovered correlation relationships into the processes of forecasting future endogenous variables based on historical endogenous variables and future exogenous variables.
Authors: Mohammad Hassan Vali, Tom B\"ackstr\"om, Arno Solin
Abstract: Vector quantization is common in deep models, yet its hard assignments block gradients and hinder end-to-end training. We propose DiVeQ, which treats quantization as adding an error vector that mimics the quantization distortion, keeping the forward pass hard while letting gradients flow. We also present a space-filling variant (SF-DiVeQ) that assigns input to a curve constructed by the lines connecting codewords, resulting in less quantization error and full codebook usage. Both methods train end-to-end without requiring auxiliary losses or temperature schedules. In VQ-VAE image compression, VQGAN image generation, and DAC speech coding tasks across various data sets, our proposed methods improve reconstruction and sample quality over alternative quantization approaches.
Authors: Klaus-Rudolf Kladny, Bernhard Sch\"olkopf, Michael Muehlebach
Abstract: AdaBoost sequentially fits so-called weak learners to minimize an exponential loss, which penalizes misclassified data points more severely than other loss functions like cross-entropy. Paradoxically, AdaBoost generalizes well in practice as the number of weak learners grows. In the present work, we introduce Penalized Exponential Loss (PENEX), a new formulation of the multi-class exponential loss that is theoretically grounded and, in contrast to the existing formulation, amenable to optimization via first-order methods, making it a practical objective for training neural networks. We demonstrate that PENEX effectively increases margins of data points, which can be translated into a generalization bound. Empirically, across computer vision and language tasks, PENEX improves neural network generalization in low-data regimes, matching and in some settings outperforming established regularizers at comparable computational cost. Our results highlight the potential of the exponential loss beyond its application in AdaBoost.
Authors: Till Aczel, Lucas Theis, Roger Wattenhofer
Abstract: Evaluating generative models is challenging because standard metrics often fail to reflect human preferences. Human evaluations are more reliable but costly and noisy, as participants vary in expertise, attention, and diligence. Pairwise comparisons improve consistency, yet aggregating them into overall quality scores requires careful modeling. Bradley-Terry-based methods update item scores from comparisons, but existing approaches either ignore rater variability or lack convergence guarantees, limiting robustness and interpretability. We introduce BBQ, a Bayesian Bradley-Terry variant that explicitly models rater quality, downweighting or removing unreliable participants, and provides guaranteed monotonic likelihood convergence through an Expectation-Maximization algorithm. Empirical results show that BBQ provides efficient inference, well-calibrated uncertainty estimates, and more robust, interpretable rankings compared to baseline Bradley-Terry models, even with noisy or crowdsourced raters. This framework enables more reliable and cost-effective human evaluation of generative models.
Authors: Mohammadreza Tavasoli Naeini, Ali Bereyhi, Morteza Noshad, Ben Liang, Alfred O. Hero III
Abstract: We propose an alternative to the standard GAN training approach, in which the discriminator is a binary classifier trained by cross-entropy to distinguish real samples from generated ones. Instead, we directly target the discrimination Bayes error rate (BER). To this end, we use the recently proposed Bayes optimal learning threshold (BOLT) loss and train the generator to maximize a surrogate of the discrimination BER. This viewpoint gives a unified perspective on GAN training: different objectives can be interpreted as parameterized bounds on the discrimination BER that describe a trade-off between smoothness and tightness. We show that, under balanced class priors, maximizing the surrogate BER with an unconstrained discriminator minimizes the total variation between the data and generator distributions. By constraining the discriminator to be $1$-Lipschitz, the proposed maximization objective defines a discrepancy that is upper-bounded by the Wasserstein-1 distance, thereby linking it to Wasserstein GAN. Experiments on several image-generation datasets under matched architectures and optimization settings show that GAN training using the surrogate BER improves sample quality and coverage over standard baselines. This analysis suggests that the proposed Bayesian viewpoint can achieve a better trade-off between training stability and convergence of the generator to the data distribution.
Authors: Lin Guan, Jia-Qi Yang, Zhishan Zhao, Beichuan Zhang, Bo Sun, Xuanyuan Luo, Jinan Ni, Xiaowen Li, Yuhang Qi, Zhifang Fan, Hangyu Wang, Qiwei Chen, Yi Cheng, Feng Zhang, Xiao Yang
Abstract: Short-video recommenders such as Douyin must exploit extremely long user histories without breaking latency or cost budgets. We present an end-to-end system that scales long-sequence modeling to 10k-length histories in production. First, we introduce Stacked Target-to-History Cross Attention (STCA), which replaces history self-attention with stacked cross-attention from the target to the history, reducing complexity from quadratic to linear in sequence length and enabling efficient end-to-end training. Second, we propose Request Level Batching (RLB), a user-centric batching scheme that aggregates multiple targets for the same user/request to share the user-side encoding, substantially lowering sequence-related storage, communication, and compute without changing the learning objective. Third, we design a length-extrapolative training strategy -- train on shorter windows, infer on much longer ones -- so the model generalizes to 10k histories without additional training cost. Across offline and online experiments, we observe predictable, monotonic gains as we scale history length and model capacity, mirroring the scaling law behavior observed in large language models. Deployed at full traffic on Douyin, our system delivers significant improvements on key engagement metrics while meeting production latency, demonstrating a practical path to scaling end-to-end long-sequence recommendation to the 10k regime.
Authors: Dimitris Oikonomou, Matthew Buchholz, Yuen-Man Pun, Robert M. Gower, Nicolas Loizou
Abstract: Schedule-Free SGD, proposed in [Defazio et al., 2024], achieves optimal convergence rates without requiring the training horizon in advance, by replacing learning rate schedules with a principled form of iterate averaging. However, the method still requires tuning a base learning rate whose optimal value depends on unknown problem constants. In this work, we continue down this road by deriving Polyak-type step sizes for Schedule-Free SGD and Adam that compute the learning rate at each iteration from the sampled loss, gradient, and current iterates alone. We first propose an oracle variant that uses per-sample optimal function values and prove an $O(1/\sqrt{t})$ anytime last-iterate rate for convex Lipschitz objectives. We then remove the oracle requirement with a safeguarded variant that replaces the unknown optimal values with any available lower bound, achieving the same rate up to a neighborhood that vanishes under interpolation. Both step sizes reduce to existing Polyak rules for standard SGD when momentum is set to zero, unifying standard and schedule-free Polyak methods. Numerical experiments on language modeling, including pretraining and distillation, show that the proposed methods match or surpass tuned Schedule-Free baselines while offering greater robustness to hyperparameter choices.
Authors: Munib Mesinovic, Tingting Zhu
Abstract: Deep-learning survival models for electronic health record (EHR) data are hard to compare across papers because the upstream preprocessing step, which includes cohort definition, time discretisation, missingness handling, and censoring rules, is typically undocumented and inconsistent. A reported difference in concordance between two mortality models can therefore reflect any of these choices rather than a modelling contribution. We present SurvBench, an open-source preprocessing pipeline that converts raw PhysioNet exports into model-ready tensors for survival analysis. SurvBench covers four critical-care databases (MIMIC-IV, eICU, MC-MED, HiRID) and four input modalities: time-series vitals and laboratory values, static demographics, International Classification of Diseases (ICD) codes, and radiology report embeddings. Every preprocessing decision is controlled through YAML configuration. Imputation, scaling, and feature filtering are fit on the training fold only. Missingness is recorded as a binary mask alongside each feature tensor. The pipeline handles single-risk endpoints (in-hospital and in-ICU mortality) and competing-risks endpoints (a three-way emergency-department admission pathway, with home discharge treated as administrative censoring). We also provide support for harmonised cross-dataset external validation between eICU and MIMIC-IV. SurvBench is publicly available at https://github.com/munibmesinovic/SurvBench, providing a robust platform that future deep-learning EHR survival work, especially nascent multi-modal approaches, can be measured against under matched preprocessing.
Authors: Abolfazl Younesi, Leon Kiss, Zahra Najafabadi Samani, Juan Aznar Poveda, Thomas Fahringer
Abstract: Federated learning (FL) enables collaborative model training while preserving data privacy. However, it remains vulnerable to malicious clients who compromise model integrity through Byzantine attacks, data poisoning, or adaptive adversarial behaviors. Existing defense mechanisms rely on static thresholds and binary classification, failing to adapt to evolving client behaviors in real-world deployments. We propose FLARE, an adaptive reputation-based framework that transforms client reliability assessment from binary decisions to a continuous, multi-dimensional trust evaluation. FLARE integrates: (i) a multi-dimensional reputation score capturing performance consistency, statistical anomaly indicators, and temporal behavior, (ii) a self-calibrating adaptive threshold mechanism that adjusts security strictness based on model convergence and recent attack intensity, (iii) reputation-weighted aggregation with soft exclusion to proportionally limit suspicious contributions rather than eliminating clients outright, and (iv) a Local Differential Privacy (LDP) mechanism enabling reputation scoring on privatized client updates. We further introduce a highly evasive Statistical Mimicry (SM) attack, a benchmark adversary that blends honest gradients with synthetic perturbations and persistent drift to remain undetected by traditional filters. Extensive experiments with 100 clients on MNIST, CIFAR-10, and SVHN demonstrate that FLARE maintains high model accuracy and converges faster than state-of-the-art Byzantine-robust methods under diverse attack types, including label flipping, gradient scaling, adaptive attacks, ALIE, and SM. FLARE improves robustness by up to 16% and preserves model convergence within 30% of the non-attacked baseline, while achieving strong malicious-client detection performance with minimal computational overhead. https://github.com/Anonymous0-0paper/FLARE
Authors: Yuxiang Wan, Ryan Devera, Wenjie Zhang, Ju Sun
Abstract: Foundation flow-matching (FM) models promise universal priors for solving inverse problems (IPs); yet today, they trail behind domain-specific and even untrained priors. \emph{How can we unlock their potential?} We introduce FMPlug, a plug-in framework that redefines how foundation FMs are used in IPs. FMPlug combines an instance-guided, time-dependent warm-start strategy with sharp Gaussianity regularization, adding problem-specific guidance while preserving the Gaussian structures. For evaluation, we consider both simple image restoration tasks and scientific IPs with a few similar samples -- where the prohibitive cost of data collection and model training hinders the development of domain-specific generative models. Our superior experimental results confirm the effectiveness of FMPlug. Overall, FMPlug paves the way for making foundation FM models practical, reusable priors for IPs, especially scientific ones with few similar samples. More details are available at https://sun-umn.github.io/xm-plug/ .
Authors: Shanchuan Lin, Ceyuan Yang, Zhijie Lin, Hao Chen, Haoqi Fan
Abstract: We present adversarial flow models, a class of generative models that belongs to both the adversarial and flow families. Our method supports native one-step and multi-step generation and is trained with an adversarial objective. Unlike traditional GANs, in which the generator learns an arbitrary transport map between the noise and data distributions, our generator is encouraged to learn a deterministic noise-to-data mapping. This significantly stabilizes adversarial training. Unlike consistency-based methods, our model directly learns one-step or few-step generation without having to learn the intermediate timesteps of the probability flow for propagation. This preserves model capacity and avoids error accumulation. Under the same 1NFE setting on ImageNet-256px, our B/2 model approaches the performance of consistency-based XL/2 models, while our XL/2 model achieves a new best FID of 2.38. We additionally demonstrate end-to-end training of 56-layer and 112-layer models without any intermediate supervision, achieving FIDs of 2.08 and 1.94 with a single forward pass and surpassing the corresponding 28-layer 2NFE and 4NFE counterparts with equal compute and parameters. The code is available at https://github.com/ByteDance-Seed/Adversarial-Flow-Models
URLs: https://github.com/ByteDance-Seed/Adversarial-Flow-Models
Authors: Jonghyun Park, Jong Chul Ye
Abstract: Deep generative models are powerful priors for imaging inverse problems, but training-free solvers for latent flow models face a practical finite-step trade-off. Optimization-heavy methods quickly improve measurement consistency, but in highly nonlinear latent spaces, their results can depend strongly on where local refinement is initialized, often degrading perceptual realism. In contrast, stochastic sampling methods better preserve posterior exploration, but often require many iterations to obtain sharp, measurement-consistent reconstructions. To address this trade-off, we propose FlowLPS, a training-free latent flow inverse solver based on Langevin-Proximal Sampling. At each reverse step, FlowLPS uses a few Langevin updates to perturb the model-predicted clean estimate in posterior-oriented directions, providing stochastic initializations for local refinement. It then applies local MAP-style proximal refinement to rapidly improve measurement consistency from the Langevin-updated estimate. We additionally use controlled pCN-style re-noising to stabilize the reverse trajectory while retaining trajectory coherence. Experiments on FFHQ and DIV2K across five linear inverse problems show that FlowLPS achieves a strong balance between measurement fidelity and perceptual quality, with additional experiments on pixel-space inverse problems and phase retrieval.
Authors: Xinyu Zhang, Conor Hassan, Julien Martinelli, Daolang Huang, Samuel Kaski
Abstract: Balancing competing objectives is omnipresent across disciplines, from drug design to autonomous systems. Multi-objective Bayesian optimization is a promising solution for such expensive, black-box problems: it fits probabilistic surrogates and selects new designs via an acquisition function that balances exploration and exploitation. In practice, it requires tailored choices of surrogate and acquisition that rarely transfer to the next problem, is myopic when multi-step planning is often required, and adds refitting overhead, particularly in parallel or time-sensitive loops. We present TAMO, a fully amortized, universal policy for multi-objective black-box optimization. TAMO uses a transformer architecture that operates across varying input and objective dimensions, enabling pretraining on diverse corpora and transfer to new problems without retraining: at test time, the pretrained model proposes the next design with a single forward pass. We pretrain the policy with reinforcement learning to maximize cumulative hypervolume improvement over full trajectories, conditioning on the entire query history to approximate the Pareto frontier. Across synthetic benchmarks and real tasks, TAMO produces fast proposals, reducing proposal time by 50-1000x versus alternatives while matching or improving Pareto quality under tight evaluation budgets. These results show that transformers can perform multi-objective optimization entirely in-context, eliminating per-task surrogate fitting and acquisition engineering, and open a path to foundation-style, plug-and-play optimizers for scientific discovery workflows.
Authors: Zhengyang Wang, Ziyue Liu, Ruijie Zhang, Avinash Maurya, Paul Hovland, Bogdan Nicolae, Franck Cappello, Zheng Zhang
Abstract: The scale of transformer model pre-training is constrained by the increasing computation and communication cost. Low-rank bottleneck architectures offer a promising solution to significantly reduce the training time and memory footprint with minimum impact on accuracy. Despite algorithmic efficiency, bottleneck architectures scale poorly under standard tensor parallelism. Simply applying 3D parallelism designed for full-rank methods leads to excessive communication and poor GPU utilization. To address this limitation, we propose BOOST, an efficient training framework tailored for large-scale low-rank bottleneck architectures. BOOST introduces a novel Bottleneck-aware Tensor Parallelism, and combines optimizations such as online-RMSNorm, linear layer grouping, and low-rank activation checkpointing to achieve end-to-end training speedup. Evaluations on different low-rank bottleneck architectures demonstrate that BOOST achieves 1.46-1.91$\times$ speedup over full-rank model baselines and 1.87-2.27$\times$ speedup over low-rank model with naively integrated 3D parallelism, with improved GPU utilization and reduced communication overhead.
Authors: Sara Taheri, Mahalakshmi Sabanayagam, Debarghya Ghoshdastidar, Majid Zamani
Abstract: The increasing use of machine learning in safety-critical domains amplifies the risk of adversarial threats, especially data poisoning attacks that corrupt training data to degrade performance or induce unsafe behavior. Most existing defenses lack formal guarantees or rely on restrictive assumptions about the model class, attack type, extent of poisoning, or point-wise certification, limiting their practical reliability. This paper introduces a principled formal robustness certification framework that models gradient-based training as a discrete-time dynamical system (dt-DS) and formulates poisoning robustness as a formal safety verification problem. By adapting the concept of barrier certificates (BCs) from control theory, we introduce sufficient conditions to certify a robust radius ensuring that the terminal model remains safe under worst-case ${\ell}_p$-norm based poisoning. To make this practical, we parameterize BCs as neural networks trained on finite sets of poisoned trajectories. We further derive probably approximately correct (PAC) bounds by solving a scenario convex program (SCP), which yields a confidence lower bound on the certified robustness radius generalizing beyond the training set. Importantly, our framework also extends to certification against test-time attacks, making it the first unified framework to provide formal guarantees in both training and test-time attack settings. Experiments on MNIST, SVHN, and CIFAR-10 show that our approach certifies non-trivial perturbation budgets while being model-agnostic and requiring no prior knowledge of the attack or contamination level.
Authors: Michael J. Clark
Abstract: As models grow more capable, humans cannot reliably verify what they say. Scalable steering requires methods that are internal, self-supervised, and transfer out-of-distribution; existing methods satisfy some but not all three. We introduce AntiPaSTO, which separates representations along an antiparallel axis (+1/-1 produce opposite shifts), with coherence constraints preventing collapse. Training uses only two contrasting words inserted into template sentences, with no preference labels. When we use 800 such synthetic pairs on Gemma-3-1B, AntiPaSTO beats prompting baselines by 6.9x Steering F1 on DailyDilemmas and wins on 5 of 6 tested value axes. We also find preliminary evidence that it maintains bidirectional control where prompting triggers refusal.
Authors: Antoine Siraudin, Christopher Morris
Abstract: Graph diffusion models achieve state-of-the-art performance in graph generation but suffer from quadratic complexity in the number of nodes -- and much of their capacity is wasted modeling the absence of edges in sparse graphs. Inspired by latent diffusion in other modalities, a natural idea is to compress graphs into a low-dimensional latent space and perform diffusion in that space. However, unlike images or text, graph generation requires nearly lossless reconstruction, as even a single error in decoding an adjacency matrix can render the entire sample invalid. This challenge has remained largely unaddressed. We propose LG-Flow, a latent graph diffusion framework that directly overcomes these obstacles. A permutation-equivariant autoencoder maps nodes to fixed-dimensional embeddings that enable near-lossless reconstruction of both undirected graphs and DAGs. The dimensionality of this latent representation scales linearly with the number of nodes, thereby removing the quadratic adjacency-space bottleneck in the diffusion process and enabling the training of substantially larger generative backbones. In this latent space, we train a Diffusion Transformer with flow matching, enabling efficient and expressive graph generation. Our approach achieves competitive results against state-of-the-art graph diffusion models while delivering up to a $1000\times$ speed-up. Our code is available at https://github.com/asiraudin/LG-Flow .
Authors: Yueyang Wang, Jiawei Fu, Baolong Bi, Xili Wang, Xiaoqing Liu
Abstract: SWE-bench has emerged as the premier benchmark for evaluating Large Language Models on complex software engineering tasks. While these capabilities are fundamentally acquired during the mid-training phase and subsequently elicited during Supervised Fine-Tuning (SFT), there remains a critical deficit in metrics capable of guiding mid-training effectively. Standard metrics such as Perplexity (PPL) are compromised by the "Long-Context Tax" and exhibit weak correlation with downstream SWE performance. In this paper, we bridge this gap by first introducing a rigorous data filtering strategy. Crucially, we propose the Entropy Compression Hypothesis, redefining intelligence not by scalar Top-1 compression, but by the capacity to structure uncertainty into Entropy-Compressed States of low orders ("reasonable hesitation"). Grounded in this fine-grained entropy analysis, we formulate a novel metric, HE-SNR (High-Entropy Signal-to-Noise Ratio). We validate our approach on models with up to 560B parameters across different context windows (32K/128K). This work provides both the theoretical foundation and practical tools for optimizing the latent potential of LLMs in complex engineering domains.
Authors: Chendong Song, Meixuan Wang, Hang Zhou, Hong Liang, Yuan Lyu, Zixi Chen, Yuwei Fan, Zijie Zhou
Abstract: Attentio-FFN disaggregation (AFD) is an emerging architecture for LLM decoding that separates state-heavy, KV-cache-dominated Attention computation from stateless, compute-intensive FFN computation, connected by per-step communication. While AFD enables independent scaling of memory and compute resources, its performance is highly sensitive to the Attention/FFN provisioning ratio: mis-sizing induces step-level blocking and costly device idle time. We develop an analytical provisioning framework for AFD bundles in an $r$A--$1$F topology under stochastic workloads. Two sources of randomness shape the problem: per-slot Attention workload evolves as KV caches grow and completed requests are replenished with random prompt and decode lengths, and synchronized execution across Attention workers introduces a barrier governed by the slowest worker. We address both via a renewal-reward characterization of the per-slot stationary token load, identifying a single workload statistic $\theta$ that governs provisioning under arbitrary prefill-decode distributions and admits a nonparametric estimator from request traces. The analysis yields a closed-form mean-field rule for the optimal A/F ratio decomposing into Attention-, communication-, and FFN-bottleneck regimes, together with a Gaussian barrier-aware refinement that quantifies cross-worker synchronization overhead. A trace-calibrated AFD simulator supports the framework across workloads: the predicted optimal ratio matches the simulation-optimal within 10%. Together, these results provide a compact, calibratable account of how stochastic workload structure determines provisioning in disaggregated LLM serving.
Authors: Konstantinos P. Panousis, Diego Marcos
Abstract: The widespread adoption of deep learning models in computer vision has intensified concerns about interpretability. Despite strong performance, these models are often treated as black boxes, with limited systematic investigation of their decision-making processes. While many interpretability methods exist, objective evaluation of learned representations remains limited, particularly for approaches that rely on sparsity to "induce" interpretability. In this work, we investigate how modeling choices in Concept Bottleneck Models (CBMs) affect the semantic alignment of concept representations. We introduce Clarity, a novel metric that captures the interplay between downstream performance and the sparsity and precision of concept activations. Using an interpretability assessment framework grounded in datasets with ground-truth concept annotations, we evaluate both VLM- and attribute predictor-based CBMs across three amortized sparsity-inducing strategies ($\ell_1$, $\ell_0$, and Bernoulli-based), alongside several widely used sparsity-aware CBM methods from the literature. Our experiments reveal a critical flexibility-interpretability trade-off: a model's capacity to optimize task performance by deviating from semantic alignment. We demonstrate that under this trade-off, different methods exhibit markedly different behaviors even at comparable performance levels. Finally, we validate our framework through a principled human study, which confirms that Clarity aligns significantly more closely with human trust than standard evaluation metrics.
Authors: Nikita P. Kalinin, Ryan McKenna, Rasmus Pagh, Christoph H. Lampert
Abstract: Differentially private stochastic gradient descent (DP-SGD) is the gold standard for training machine learning models with formal differential privacy guarantees. Several recent extensions improve its accuracy by introducing correlated noise across training iterations. Matrix factorization mechanisms are a prominent example, but they correlate noise across many iterations and require storing previously added noise vectors, leading to substantial memory overhead in some settings. In this work, we propose a new noise correlation strategy that correlates noise only with the immediately preceding iteration and cancels a controlled portion of it. Our method relies on noise regeneration using a pseudorandom noise generator, eliminating the need to store past noise. As a result, it requires no additional memory beyond standard DP-SGD. We show that the computational overhead is minimal and empirically demonstrate improved accuracy over DP-SGD.
Authors: Jie Yang, Yifan Hu, Yuante Li, Kexin Zhang, Kaize Ding, Philip S. Yu
Abstract: Deep learning has achieved strong performance in Time Series Forecasting (TSF). However, we identify a critical representation paradox, termed Latent Chaos: models with accurate predictions often learn latent representations that are temporally disordered and lack continuity. We attribute this to the dominant observation-space forecasting paradigm, where minimizing point-wise errors on noisy and partially observed data encourages shortcut solutions instead of the recovery of underlying system dynamics. To address this, we propose Latent Time Series Forecasting (LatentTSF), a paradigm that shifts TSF from observation regression to latent state prediction. LatentTSF employs an AutoEncoder to project each observation into a learned latent state space and performs forecasting entirely in this space, allowing the model to focus on learning structured temporal dynamics. We provide an information-theoretic analysis showing that the latent objectives can be motivated as surrogates for maximizing mutual information between predicted and ground-truth latent states and future observations. Extensive experiments on widely-used benchmarks confirm that LatentTSF effectively mitigates latent chaos, yielding consistent improvements in both forecasting accuracy and representation quality. Our code is available at https://github.com/Muyiiiii/LatentTSF.
Authors: Muhammed Ustaomeroglu, Guannan Qu
Abstract: Emergent misalignment can arise when a language model is fine-tuned on a narrowly scoped supervised objective: the model learns the target behavior, yet also develops undesirable out-of-domain behaviors. We investigate a mechanistic approach to preventing emergent misalignment by identifying a small set of internal features that reliably control the misaligned behavior and then discouraging the model from strengthening these features during fine-tuning. Across six fine-tuning domains, blocking (i.e., constraining) a fixed set of features achieves up to 95\% relative reduction in emergent misalignment with no degradation in model quality or target-task performance. We strengthen validity with disjoint selection/evaluation splits, multiple independent judges, multiple random seeds for key settings, quality metrics, and extensive ablations demonstrating that the reduction in misalignment is specific to the identified mechanism. We also characterize a limiting regime in which misalignment re-emerges under prolonged fine-tuning, present evidence consistent with rerouting through alternative features or layers, and evaluate modifications that partially restore the misalignment-blocking effect. Overall, our results show that targeted training-time constraints on internal mechanisms can mitigate emergent misalignment without degrading target-task performance.
Authors: Taihei Oki, Shinsaku Sakaue
Abstract: We study online inverse linear optimization, also known as contextual recommendation, where a learner sequentially infers an agent's hidden objective vector from observed optimal actions over feasible sets that change over time. The learner aims to recommend actions that perform well under the agent's true objective, and the performance is measured by the regret, defined as the cumulative gap between the agent's optimal values and those achieved by the learner's recommended actions. Prior work has established a regret bound of $O(d\log T)$, as well as a finite but exponentially large bound of $\exp(O(d\log d))$, where $d$ is the dimension of the optimization problem and $T$ is the time horizon, while a regret lower bound of $\Omega(d)$ is known (Gollapudi et al. 2021; Sakaue et al. 2025). Whether a finite regret bound polynomial in $d$ is achievable or not has remained an open question. We partially resolve this by showing that when the feasible sets are M-convex -- a broad class that includes matroids -- a finite regret bound of $O(d\log d)$ is possible. We achieve this by combining a structural characterization of optimal solutions on M-convex sets with a geometric volume argument. Moreover, we extend our approach to adversarially corrupted feedback in up to $C$ rounds. We obtain a regret bound of $O((C+1)d\log d)$ without prior knowledge of $C$, by monitoring directed graphs induced by the observed feedback to detect corruptions adaptively.
Authors: Susu Hu, Stefanie Speidel
Abstract: Inferring spatial transcriptomics (ST) from histology enables scalable histogenomic profiling, yet current methods are largely restricted to single-tissue models. This fragmentation fails to leverage biological principles shared across cancer types and hinders application to data-scarce scenarios. While pan-cancer training offers a solution, the resulting heterogeneity challenges monolithic architectures. To bridge this gap, we introduce MoLF (Mixture-of-Latent-Flow), a generative model for pan-cancer histogenomic prediction. MoLF leverages a conditional Flow Matching objective to map noise to the gene latent manifold, parameterized by a Mixture-of-Experts (MoE) velocity field. By dynamically routing inputs to specialized sub-networks, this architecture effectively decouples the optimization of diverse tissue patterns. Our experiments demonstrate that MoLF establishes a new state-of-the-art, consistently outperforming both specialized and foundation model baselines on pan-cancer benchmarks. Furthermore, MoLF exhibits zero-shot generalization to cross-species data, suggesting it captures fundamental, conserved histo-molecular mechanisms.
Authors: Wasu Top Piriyakulkij, Wolfgang Lehrach, Kevin Ellis, Kevin Murphy
Abstract: Building agents that can perform new skills by composing existing skills is a long-standing goal of AI agent research. Towards this end, we investigate how to efficiently acquire a sequence of skills, formalized as hierarchical neural options. However, existing model-free hierarchical reinforcement algorithms need a lot of data. We propose a novel method, which we call AgentOWL (Option and World model Learning Agent), that jointly learns -- in a sample efficient way -- an abstract world model (abstracting across both states and time) and a set of hierarchical neural options. We show, on a subset of Object-Centric Atari games, that our method can learn more skills using less data than baseline methods and possesses learning and generalization capabilities that the baselines do not have.
Authors: Felipe Angelim, Alessandro Leite
Abstract: We propose Partition Tree, a novel tree-based framework for conditional density estimation over general outcome spaces that supports both continuous and categorical variables within a unified formulation. Our approach models conditional distributions as piecewise-constant densities on data-adaptive partitions and learns trees by directly minimizing conditional negative log-likelihood. This yields a scalable, nonparametric alternative to existing probabilistic trees that does not make parametric assumptions about the target distribution. We further introduce Partition Forest, a bagging extension obtained by averaging conditional densities. Empirically, we demonstrate improved probabilistic prediction over CART-style trees and competitive performance compared to state-of-the-art probabilistic tree methods and Random Forests.
Authors: Edward Berman, Luisa Li, Jung Yeon Park, Robin Walters
Abstract: Modern neural networks have shown promise for solving partial differential equations over surfaces, often by discretizing the surface as a mesh and learning with a mesh-aware graph neural network. However, graph neural networks suffer from oversmoothing, where a node's features become increasingly similar to those of its neighbors. Unitary graph convolutions, which are mathematically constrained to preserve smoothness, have been proposed to address this issue. Despite this, in many physical systems, such as diffusion processes, smoothness naturally increases and unitarity may be overconstraining. In this paper, we systematically study the smoothing effects of different GNNs for dynamics modeling and prove that unitary convolutions hurt performance for such tasks. We propose relaxed unitary convolutions that balance smoothness preservation with the natural smoothing required for physical systems. We also generalize unitary and relaxed unitary convolutions from graphs to meshes. In experiments on PDEs such as the heat and wave equations over complex meshes and on weather forecasting, we find that our method outperforms several strong baselines, including mesh-aware transformers and equivariant neural networks.
Authors: Guanglong Sun, Siyuan Zhang, Liyuan Wang, Jun Zhu, Hang Su, Yi Zhong
Abstract: Safety post-training can improve the harmfulness and policy compliance of Large Language Models (LLMs), but it may also reduce general utility, a phenomenon often described as the \emph{alignment tax}. We study this trade-off through the lens of continual learning: sequential alignment stages expose the model to shifted data distributions and objectives, and their gradients may interfere with directions that support previously acquired general capabilities. This view does not claim that all alignment degradation has a single cause; rather, it provides a useful first-order mechanism for mitigating one important source of capability regression. We propose \textbf{O}rthogonal \textbf{G}radient \textbf{P}rojection for \textbf{S}afety \textbf{A}lignment (\textbf{OGPSA}), a lightweight update rule that estimates a low-rank reference subspace from gradients on a small set of general-capability data and removes from each safety gradient the component lying in this subspace. The resulting update is the steepest local safety-descent direction subject to first-order preservation constraints on the reference objectives. OGPSA is compatible with standard post-training pipelines and avoids large-scale replay, although it introduces periodic reference-gradient computation. Across Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and sequential SFT$\rightarrow$DPO settings, OGPSA improves the observed safety--utility trade-off over standard baselines. Under the sequential SFT$\rightarrow$DPO pipeline, the average performance gain increases from 33.98\% to 42.74\% on Qwen2.5-7B-Instruct and from 19.74\% to 32.98\% on Llama3.1-8B-Instruct. We have open sourced our code at https://github.com/SunGL001/OGPSA.
Authors: Mahdi Sabbaghi, George Pappas, Adel Javanmard, Hamed Hassani
Abstract: Large language models are commonly trained through multi-stage post-training: first via RLHF, then fine-tuned for other downstream objectives. Yet even small downstream updates can compromise earlier learned behaviors (e.g., safety), exposing a brittleness known as catastrophic forgetting. This suggests standard RLHF objectives do not guarantee robustness to future adaptation. To address it, most prior work designs downstream-time methods to preserve previously learned behaviors. We argue that preventing this requires pre-finetuning robustness: the base policy should avoid brittle high-reward solutions whose reward drops sharply under standard fine-tuning. We propose Fine-tuning Robust Policy Optimization (FRPO), a robust RLHF framework that optimizes reward not only at the current policy, but across a KL-bounded neighborhood of policies reachable by downstream adaptation. The key idea is to ensure reward stability under policy shifts via a max-min formulation. By modifying GRPO, we develop an algorithm with no extra computation, and empirically show it substantially reduces safety degradation across multiple base models and downstream fine-tuning regimes (SFT and RL) while preserving downstream task performance. We further study a math-focused RL setting, demonstrating that FRPO preserves accuracy under subsequent fine-tuning.
Authors: Stephanie Holly, Alexandru-Ciprian Z\u{a}voianu, Siegfried Silber, Sepp Hochreiter, Werner Zellinger
Abstract: Offline multi-objective optimization (MOO) aims to recover Pareto-optimal designs given a finite, static dataset. Recent generative approaches, including diffusion models, show strong performance under hypervolume, yet their behavior under other established MOO metrics is less understood. We show that generative methods systematically underperform evolutionary alternatives with respect to other metrics, such as generational distance. We relate this failure mode to the offline-frontier shift, i.e., the displacement of the offline dataset from the Pareto front, which acts as a fundamental limitation in offline MOO. We argue that overcoming this limitation requires out-of-distribution sampling in objective space (via an integral probability metric) and empirically observe that generative methods remain conservatively close to the offline objective distribution. Our results position offline MOO as a distribution-shift--limited problem and provide a diagnostic lens for understanding when and why generative optimization methods fail.
Authors: Yashas Shende (Ashoka University), Aritra Das (Ashoka University), Reva Laxmi Chauhan (Ashoka University), Arghya Pathak (Ashoka University), Debayan Gupta (Ashoka University)
Abstract: Transformers excel at time series modelling through attention mechanisms that capture long-term temporal patterns. However, they assume uniform time intervals and therefore struggle with irregular time series. Neural Ordinary Differential Equations (NODEs) effectively handle irregular time series by modelling hidden states as continuously evolving trajectories. ContiFormers arxiv:2402.10635 combine NODEs with Transformers, but inherit the computational bottleneck of the former by using heavy numerical solvers. This bottleneck can be removed by using a closed-form solution for the given dynamical system - but this is known to be intractable in general! We obviate this by replacing NODEs with a novel linear damped harmonic oscillator analogy - which has a known closed-form solution. We model keys and values as damped, driven oscillators and expand the query in a sinusoidal basis up to a suitable number of modes. This analogy naturally captures the query-key coupling that is fundamental to any transformer architecture by modelling attention as a resonance phenomenon. Our closed-form solution eliminates the computational overhead of numerical ODE solvers while preserving expressivity. We prove that this oscillator-based parameterisation maintains the universal approximation property of continuous-time attention; specifically, any discrete attention matrix realisable by ContiFormer's continuous keys can be approximated arbitrarily well by our fixed oscillator modes. Our approach delivers both theoretical guarantees and scalability, achieving state-of-the-art performance on irregular time series benchmarks while being orders of magnitude faster. Acknowledgement: This work was done in collaboration with Dirac Labs.
Authors: Ayush Mohanty, Nazal Mohamed, Nagi Gebraeel
Abstract: Granger causality recovers directed interactions from time-series data, but in many distributed systems, the data are vertically partitioned across clients, with each client observing only the variables of its own subsystem. Federated Granger causality (FedGC) recovers cross-client interactions without sharing raw data. Existing FedGC methods, however, return deterministic point estimates with no calibrated measure of uncertainty, leaving operators without a principled basis for identifying reliable cross-client interactions. We address this limitation by characterizing how uncertainty propagates through the FedGC framework. We derive closed-form covariance recursions for the cross-covariances induced by the coupled client-server feedback loop, and establish spectral-radius-based convergence conditions yielding closed-form expressions for the steady-state variances at both the client and server. Under mild stability conditions, we prove that the steady-state uncertainty depends only on client data statistics (aleatoric) and is independent of the priors placed on the model parameters (epistemic). Building on this asymptotic characterization, we construct a post-training hypothesis testing procedure that separates genuine cross-client interactions from spurious edges. Experiments on synthetic and real-world datasets show that the predicted uncertainty propagation matches the theory across multiple operating regimes, while consistently outperforming the state-of-the-art federated causal structure learning baselines.
Authors: Aritra Das (Ashoka University), Yashas Shende (Ashoka University), Muskaan Chugh (Ashoka University), Reva Laxmi Chauhan (Ashoka University), Arghya Pathak (Ashoka University), Debayan Gupta (Ashoka University)
Abstract: Magnetic-anomaly navigation, leveraging small-scale variations in the Earth's magnetic field, is a promising alternative when GPS is unavailable or compromised. Airborne systems face a key challenge in extracting geomagnetic field data: the aircraft itself induces magnetic noise. Although the classical Tolles-Lawson model addresses this, it inadequately handles stochastically corrupted magnetic data required for navigation. To handle stochastic noise, we propose using two physics-based constraints: divergence-free vector fields and E(3)-equivariance. These ensure the learned magnetic field obeys Maxwell's equation and that outputs transform correctly with sensor position and orientation. The divergence-free constraint is implemented by training a neural network to output a vector potential A, with the magnetic field defined as its curl. For E(3)-equivariance, we use tensor products of geometric tensors represented via spherical harmonics with known rotational transformations. Enforcing physical consistency and restricting the admissible function space acts as an implicit regularizer that improves spatiotemporal performance. We present ablation studies evaluating each constraint alone and jointly across CNNs, MLPs, LTCs, and Contiformers. Continuous-time dynamics and long-term memory are critical for modelling magnetic time series; the Contiformer, which provides both, outperforms existing methods. To mitigate data scarcity, we generate synthetic datasets using the World Magnetic Model (WMM) and time-series conditional GANs, producing realistic, temporally consistent magnetic sequences across varied trajectories and environments. Experiments show that embedding these constraints significantly improves predictive accuracy and physical plausibility, outperforming classical and unconstrained deep learning approaches. Acknowledgement: This work was done in collaboration with Dirac Labs.
Authors: Jan Kobiolka, Christian Frey, Gresa Shala, Arlind Kadra, Erind Bedalli, Josif Grabocka
Abstract: Gradient-based optimizers are highly sensitive to design choices in their adaptive learning rate mechanisms. To address this limitation, we introduce POP, a meta-learned Reinforcement Learning (RL) policy that predicts adaptive learning rates for gradient descent, conditioned on the contextual information provided in the optimization trajectory. Our method introduces a novel RL reward formulation, a new function-scaling strategy for in-distribution generalization, and a novel prior that is used to sample millions of synthetic optimization problems. We evaluate POP on an established benchmark including 43 optimization functions of various complexity, where it significantly outperforms gradient-based methods. Our evaluation demonstrates strong generalization capabilities without task-specific tuning.
Authors: Johanna S. Fr\"ohlich, Bastian Heinlein, Jan U. Claar, Hans Rosenberger, Vasileios Belagiannis, Ralf R. M\"uller
Abstract: Explainable artificial intelligence has emerged as a promising field of research to address reliability concerns in artificial intelligence. Despite significant progress in explainable artificial intelligence, few methods provide a systematic way to visualize and understand how classes are confused and how their relationships evolve as training progresses. In this work, we present GRAPHIC, an architecture-agnostic approach that analyzes neural networks on a class level. It leverages confusion matrices derived from intermediate layers using linear classifiers. We interpret these as adjacency matrices of directed graphs, allowing tools from network science to visualize and quantify learning dynamics across training epochs and intermediate layers. GRAPHIC provides insights into linear class separability, dataset issues, and architectural behavior, revealing, for example, similarities between flatfish and man and labeling ambiguities validated in a human study. In summary, by uncovering real confusions, GRAPHIC offers new perspectives on how neural networks learn. The code is available at https://github.com/Johanna-S-Froehlich/GRAPHIC.
Authors: Zhuoyang Jiang, Dongqing Zhang
Abstract: Residential floor plan generation requires not only geometric fidelity but also spatial configurational logic: shared living spaces should be integrative, while private spaces should remain segregated. Existing generators increasingly use room-relation graphs as input-side conditions, but generated layouts are rarely evaluated on the output side for configurational quality, and such evaluation is rarely fed back into model optimization. We propose Space Syntax-guided Post-training (SSPT), a framework that turns space-syntax integration from a post-hoc analysis tool into a computable feedback signal for already-trained floor plan generators. SSPT introduces the Space Syntax Integration Oracle (SSIO), which converts generated layouts into rectangle-space graphs and measures public-space dominance and functional hierarchy. SSIO is first applied to real residential data to establish empirical configurational references, then connected to two SSPT strategies: SSPT-Iter, a basic generate-filter-retrain route, and SSPT-PPO, the first RL-based post-training route for floor plan generation. We also introduce SSPT-Bench, a new evaluation system for measuring the output-side spatial configurational quality of post-trained generators under an out-of-distribution setting. Experiments show that both strategies improve public-space dominance and functional-hierarchy alignment over the unpost-trained baseline. SSPT-PPO achieves stronger gains, lower variance, and higher efficiency than iterative retraining. These results show that output-side configurational evaluation can serve as actionable post-training feedback, offering a practical path for injecting architectural theory into existing floor plan generation backbones.
Authors: Donghong Cai, Jiarui Feng, Yanbo Wang, Da Zheng, Yixin Chen, Muhan Zhang
Abstract: Synthetic tabular data generation has attracted growing attention due to its importance for data augmentation, foundation models, and privacy. However, real-world tabular datasets increasingly contain free-form text fields (e.g., reviews or clinical notes) alongside structured numerical and categorical attributes. Generating such heterogeneous tables with joint modeling of different modalities remains challenging. Existing approaches broadly fall into two categories: diffusion-based methods and LLM-based methods. Diffusion models can capture complex dependencies over numerical and categorical features in continuous or discrete spaces, but extending them to open-ended text is nontrivial and often leads to degraded text quality. In contrast, LLM-based generators naturally produce fluent text, yet their discrete tokenization can distort precise or wide-range numerical values, hindering accurate modeling of both numbers and language. In this work, we propose TabDLM, a unified framework for free-form tabular data generation via a joint numerical-language diffusion model built on masked diffusion language models (MDLMs). TabDLM models textual and categorical features through masked diffusion, while modeling numerical features with a continuous diffusion process through learned specialized numeric tokens embedding; bidirectional attention then captures cross-modality interactions within a single model. Extensive experiments on diverse benchmarks demonstrate the effectiveness of TabDLM compared to strong diffusion- and LLM-based baselines.
Authors: Haoran Zhang, Dongjun Kim, Seohyeon Cha, Haris Vikalo
Abstract: Federated LoRA provides a communication-efficient mechanism for fine-tuning large language models on decentralized data. In practice, however, a discrepancy between the factor-wise averaging used to preserve low rank and the mathematically correct aggregation of local updates can cause significant aggregation error and unstable training. We argue that a major source of this problem is rotational misalignment, arising from the rotational invariance of low-rank factorizations -- semantically equivalent updates can be represented in different latent subspaces across clients since $(B_i R_i)(R_i^\top A_i) = B_i A_i$. When such misaligned factors are averaged directly, they interfere destructively and degrade the global update. To address this issue, we propose FedRot-LoRA, a federated LoRA framework that aligns client updates via orthogonal transformations prior to aggregation. This alignment preserves the semantic update while reducing cross-client subspace mismatch, without increasing communication cost or restricting model expressivity. We provide a convergence analysis that examines the aggregation error induced by factor-wise averaging and shows how rotational alignment yields a tighter upper bound on this error. Extensive experiments on natural language understanding and generative tasks demonstrate that FedRot-LoRA consistently outperforms existing federated LoRA baselines across a range of heterogeneity levels and LoRA ranks.
Authors: Lingfeng He, De Cheng, Huaijie Wang, Xi Yang, Nannan Wang, Xinbo Gao
Abstract: Continual Learning (CL) requires models to sequentially adapt to new tasks without forgetting old knowledge. Recently, Low-Rank Adaptation (LoRA), a representative Parameter-Efficient Fine-Tuning (PEFT) method, has gained increasing attention in CL. Several LoRA-based CL methods reduce interference across tasks by separating their update spaces, typically building the new space from the estimated null space of past tasks. However, they (i) overlook task-shared directions, which suppresses knowledge transfer, and (ii) fail to capture truly effective task-specific directions since these ``null bases" of old tasks can remain nearly inactive for new task under correlated tasks. To address this, we study LoRA learning capability from a projection energy perspective, and propose Low-rank Decomposition and Adaptation (LoDA). It performs a task-driven decomposition to build general and truly task-specific LoRA subspaces by solving two energy-based objectives, decoupling directions for knowledge sharing and isolation. LoDA fixes LoRA down-projections on two subspaces and learns robust up-projections via a Gradient-Aligned Optimization (GAO) approach. After each task, before integrating the LoRA updates into the backbone, LoDA derives a closed-form recalibration for the general update, approximating a feature-level joint optimum along this task-shared direction. Experiments indicate that LoDA outperforms existing CL methods. Our code is available at https://github.com/HHHLF/LoDA_ICML2026.
Authors: L. Juli\'an Lechuga L\'opez, Farah E. Shamout, Tim G. J. Rudner
Abstract: As artificial intelligence systems move toward clinical deployment, ensuring reliable prediction behavior is fundamental for safety-critical decision-making tasks. One proposed safeguard is selective prediction, where models can defer uncertain predictions to human experts for review. In this work, we empirically evaluate the reliability of uncertainty-based selective prediction in multilabel clinical condition classification using multimodal ICU data. Across a range of state-of-the-art unimodal and multimodal models, we find that selective prediction can substantially degrade performance despite strong standard evaluation metrics. This failure is driven by severe class-dependent miscalibration, whereby models assign high uncertainty to correct predictions and low uncertainty to incorrect ones, particularly for underrepresented clinical conditions. Our results show that commonly used aggregate metrics can obscure these effects, limiting their ability to assess selective prediction behavior in this setting. Taken together, our findings characterize a task-specific failure mode of selective prediction in multimodal clinical condition classification and highlight the need for calibration-aware evaluation to provide strong guarantees of safety and robustness in clinical AI.
Authors: Scott Aaronson, Lin Lin Lee, Jiawei Li
Abstract: Explaining out-of-distribution generalization has been a central problem in epistemology since Goodman's "grue" puzzle in 1946. Today it's a central problem in machine learning, including AI alignment. Here we propose a principled account of OOD generalization with three main ingredients. First, the world is always presented to experience not as an amorphous mass, but via distinguished features (for example, visual and auditory channels). Second, Occam's Razor favors hypotheses that are "sparse," meaning that they depend on as few features as possible. Third, sparse hypotheses will generalize from a training to a test distribution, provided the two distributions sufficiently overlap on their restrictions to the features that are either actually relevant or hypothesized to be. The two distributions could diverge arbitrarily on other features. We prove a simple theorem that formalizes the above intuitions, generalizing the classic sample complexity bound of Blumer et al. to an OOD context. We then generalize sparse classifiers to subspace juntas, where the ground truth classifier depends solely on a low-dimensional linear subspace of the features.
Authors: Rajesh Shrestha, Xiao Fu
Abstract: While score-based generative models have emerged as powerful priors for solving inverse problems, directly integrating them into optimization algorithms such as ADMM remains nontrivial. Two central challenges arise: i) the mismatch between the noisy data manifolds used to train the score functions and the geometry of ADMM iterates, especially due to the influence of dual variables, and ii) the lack of convergence understanding when ADMM is equipped with score-based denoisers. To address the manifold mismatch issue, we propose ADMM plug-and-play (ADMM-PnP) with the AC-DC denoiser, a new framework that embeds a three-stage denoiser into ADMM: (1) auto-correction (AC) via additive Gaussian noise, (2) directional correction (DC) using conditional Langevin dynamics, and (3) score-based denoising. In terms of convergence, we establish two results: first, under proper denoiser parameters, each ADMM iteration is a weakly nonexpansive operator, ensuring high-probability fixed-point $\textit{ball convergence}$ using a constant step size; second, under more relaxed conditions, the AC-DC denoiser is a bounded denoiser, which leads to convergence under an adaptive step size schedule. Experiments on a range of inverse problems demonstrate that our method consistently improves solution quality over a variety of baselines.
Authors: Mattia Rigotti, Nicholas Thumiger, Thomas Frick
Abstract: Neural operators on irregular meshes face a fundamental tension. Spectral positional encodings, the natural choice for capturing geometry, require cubic-complexity eigendecomposition and inadvertently break gauge invariance through numerical solver artifacts; existing efficient approximations sacrifice gauge symmetry by design. Both failure modes break discretization invariance: models fail to transfer across mesh resolutions of the same domain, and similarly across different graphs of related structure in inductive settings. We propose GIST (Gauge-Invariant Spectral Transformer), a scalable neural operator that resolves this tension by restricting attention to pairwise inner products of efficient approximate spectral embeddings. We prove these inner products estimate an exactly gauge-invariant graph kernel at end-to-end $\mathcal{O}(N)$ complexity, and establish a formal connection between gauge invariance and discretization-invariant learning with bounded mismatch error. To our knowledge, GIST is the first scalable graph neural operator with a provable discretization-mismatch bound. Empirically, GIST sets state-of-the-art on the AirfRANS, ShapeNet-Car, DrivAerNet, and DrivAerNet++ mesh benchmarks (up to 750K nodes), and additionally matches strong baselines on standard graph benchmarks (e.g., 99.50% micro-F1 on PPI).
Authors: Koichi Tanaka, Ren Kishimoto, Bushun Kawagishi, Yusuke Narita, Yasuo Yamamoto, Nobuyuki Shimizu, Yuta Saito
Abstract: We study off-policy learning (OPL) in contextual bandits, which plays a key role in a wide range of real-world applications such as recommendation systems and online advertising. Typical OPL in contextual bandits assumes an unconstrained environment where a policy can select the same item infinitely. However, in many practical applications, including coupon allocation and e-commerce, limited supply constrains items through budget limits on distributed coupons or inventory restrictions on products. In these settings, greedily selecting the item with the highest expected reward for the current user may lead to early depletion of that item, making it unavailable for future users who could potentially generate higher expected rewards. As a result, OPL methods that are optimal in unconstrained settings may become suboptimal in limited supply settings. To address the issue, we provide a theoretical analysis showing that conventional greedy OPL approaches may fail to maximize the policy performance, and demonstrate that policies with superior performance must exist in limited supply settings. Based on this insight, we introduce a novel method called Off-Policy learning with Limited Supply (OPLS). Rather than simply selecting the item with the highest expected reward, OPLS focuses on items with relatively higher expected rewards compared to the other users, enabling more efficient allocation of items with limited supply. Our empirical results on both synthetic and real-world datasets show that OPLS outperforms existing OPL methods in contextual bandit problems with limited supply.
Authors: Paolo Toccaceli
Abstract: We propose a method for non-parametric conditional distribution estimation based on partitioning covariate-sorted observations into contiguous bins and using the within-bin empirical CDF as the predictive distribution. Bin boundaries are chosen to minimise the total leave-one-out Continuous Ranked Probability Score (LOO-CRPS), which admits a closed-form cost function with $O(n^2 \log n)$ precomputation and $O(n^2)$ storage; the globally optimal $K$-partition is recovered by a dynamic programme in $O(n^2 K)$ time. Minimisation of within-sample LOO-CRPS turns out to be inappropriate for selecting $K$ as it results in in-sample optimism. We instead select $K$ by $K$-fold cross-validation of test CRPS, which yields a U-shaped criterion with a well-defined minimum. Having selected $K^*$ and fitted the full-data partition, we form two complementary predictive objects: the Venn prediction band and a conformal prediction set based on CRPS as the nonconformity score, which carries a finite-sample marginal coverage guarantee at any prescribed level $\varepsilon$. The conformal prediction is transductive and data-efficient, as all observations are used for both partitioning and p-value calculation, with no need to reserve a hold-out set. On real benchmarks against split-conformal competitors (Gaussian split conformal, CQR, CQR-QRF, and conformalized isotonic distributional regression), the method produces substantially narrower prediction intervals while maintaining near-nominal coverage.
Authors: Henry LeCates, Haoze Wu
Abstract: The parameterized CROWN analysis, a.k.a., alpha-CROWN has emerged as a practically successful abstract interpretation method for neural network verification. However, existing implementations of alpha-CROWN are limited to Python, which complicates integration into existing DNN verifiers and long-term production-level systems. We introduce Luna, a new abstract-interpretation-based bound propagator implemented in C++. Luna supports Interval Bound Propagation, the DeepPoly/CROWN analysis, and the alpha-CROWN analysis over a general computational graph. We describe the architecture of Luna and show that it outperforms the state-of-the-art alpha-CROWN implementation in terms of both bound tightness and computational efficiency on supported benchmarks from VNN-COMP 2025. Luna is publicly available at https://github.com/ai-ar-research/luna.
Authors: Ruobing Wang, Xin Li, Yujie Fang, Mingzhong Wang
Abstract: We propose Score-based Relaxation-guided Generation (SRG), a generative framework based on an approximate formulation of relaxation-guided stochastic differential equations (SDEs) for mixed-integer linear programming. SRG employs a Transformer-based score network that incorporates feasibility and optimality signals into score modeling, encouraging the learned generative model to place more probability mass on feasible, high-quality regions of the solution space. At inference time, SRG directly samples diverse candidate solutions from the learned score model without requiring any additional guidance module. These candidates are then used to construct compact trust-region subproblems for standard MILP solvers. Across multiple public benchmarks, SRG matches or improves upon the solution quality of the strongest learning-based baselines, with particularly strong gains in challenging candidate-generation settings. Moreover, SRG shows promising zero-shot transferability to unseen cross-scale and cross-problem instances, improving solver objectives and reducing search time in several cases through higher-quality initial candidates and compact trust-region search.
Authors: Mingyang Song, Mao Zheng
Abstract: As Large Language Models (LLMs) continue to grow in both capability and cost, transferring frontier capabilities into smaller, deployable students has become a central engineering problem, and knowledge distillation remains the dominant technique for this transfer. The prevailing recipe in industrial pipelines, static imitation of teacher-generated text, carries a structural weakness that grows more severe as tasks become longer and more reasoning-intensive. Because the student is trained on flawless teacher prefixes but must generate its own at inference, small errors tend to accumulate into trajectories it has rarely been trained to recover from, and the resulting exposure bias has been shown to scale roughly with the square of sequence length. On-Policy Distillation (OPD) reorganizes the training loop around this observation by having the teacher provide feedback on what the student actually produces, with the goal of reducing the compounding term toward linear and reframing distillation as an iterative correction process rather than single-pass imitation. The resulting literature has expanded along divergence design, reward-guided optimization, and self-play, yet contributions remain scattered across the knowledge distillation, RLHF, and imitation learning communities without a unified treatment. This survey provides such a treatment. We formalize OPD as $f$-divergence minimization over student-sampled trajectories, organize the field along three design axes (what to optimize, where the signal comes from, and how to stabilize training in practice), and consolidate success conditions, recurring failure modes, and the connection between OPD and KL-constrained RL. We close with open problems that emerge from this synthesis, including distillation scaling laws, uncertainty-aware feedback, agentic distillation, and the growing overlap between knowledge distillation and RL.
Authors: David Cho, Yifan Wang, Fanping Sui, Ananth Grama
Abstract: Sampling multiple candidate programs at inference time is an effective way to improve LLM code generation. However, its benefit depends on reliably selecting a correct solution from the generated pool. We observe that this selection problem has a distinctive semantic structure: correct solutions, despite differences in syntax, implementation, or algorithmic strategy, often converge to the same functional behavior over valid inputs. At the same time, consensus alone is not sufficient for correctness, because models can also produce correlated wrong solutions that implement the same mistaken behavior. We propose Symbolic Equivalence Partitioning (SEP), an inference-time selection framework that first uses problem-provided public examples as lightweight validity signals. SEP then uses symbolic execution to partition the remaining candidate programs into bounded functional equivalence classes and selects from the dominant equivalence class. Across HumanEval+ and LiveCodeBench, SEP consistently improves selection accuracy without auxiliary test generation, learned verifiers, or additional LLM inference. At $N=10$, SEP improves average accuracy from 0.754 to 0.826 on HumanEval+ and from 0.565 to 0.647 on LiveCodeBench, showing that symbolic functional agreement is an effective signal for inference-time code selection.
Authors: Andrey Bocharnikov, Ivan Ermakov, Denis Kuznedelev, Vyacheslav Zhdanovskiy, Yegor Yershov
Abstract: With the growing demand for long-context LLMs across a wide range of applications, the key-value (KV) cache has become a critical bottleneck for both latency and memory usage. Recently, KV-cache offloading has emerged as a promising approach to reduce memory footprint and inference latency while preserving accuracy. Prior evaluations have largely focused on tasks that do not require extracting large amounts of information from the context. In this work, we study KV-cache offloading on context-intensive tasks: problems where the solution requires looking up a lot of information from the input prompt. We create and release the Text2JSON benchmark, a highly context-intensive task that requires extracting structured knowledge from raw text. We evaluate modern KV offloading on Text2JSON and other context-intensive tasks and find significant performance degradation on both Llama 3 and Qwen 3 models. Our analysis identifies two key reasons for poor accuracy: low-rank projection of keys and unreliable landmarks, and proposes a simpler alternative strategy that significantly improves accuracy across multiple LLM families and benchmarks. These findings highlight the need for a comprehensive and rigorous evaluation of long-context compression techniques.
Authors: Sandeep S. Cranganore, Andrei Bodnar, Gianluca Galletti, Fabian Paischer, Johannes Brandstetter
Abstract: The persistent storage requirements for high-resolution, spatiotemporally evolving fields governed by large-scale and high-dimensional partial differential equations (PDEs) have reached the petabyte-to-exabyte scale. Transient simulations modeling Navier-Stokes equations, magnetohydrodynamics, plasma physics, or binary black hole mergers generate data volumes that are prohibitive for modern high-performance computing (HPC) infrastructures. To address this bottleneck, we introduce ANTIC (Adaptive Neural Temporal in situ Compressor), an end-to-end in situ compression pipeline. ANTIC consists of an adaptive temporal selector tailored to high-dimensional physics that identifies and filters informative snapshots at simulation time, combined with a spatial neural compression module based on continual fine-tuning that learns residual updates between adjacent snapshots using neural fields. By operating in a single streaming pass, ANTIC enables a combined compression of temporal and spatial components and effectively alleviates the need for explicit on-disk storage of entire time-evolved trajectories. Experimental results demonstrate how storage reductions of several orders of magnitude relate to physics accuracy.
Authors: Truong Xuan Khanh, Truong Quynh Hoa, Luu Duc Trung, Phan Thanh Duc
Abstract: Grokking - the delayed transition from memorisation to generalisation in neural networks - remains poorly understood. We study this phenomenon through the geometry of learned representations and identify a consistent empirical signature preceding generalisation: collapse of the spectral entropy of the representation covariance matrix. Across modular arithmetic tasks and multiple random seeds, spectral entropy decreases gradually during training and crosses a stable task-specific threshold before test accuracy rises. A representation-mixing intervention that delays this collapse also delays grokking, including under norm-matched controls, indicating that the effect is not explained by parameter norm alone. We further show that the entropy gap predicts the remaining time until grokking with useful out-of-sample accuracy. To probe the structure underlying this transition, we introduce a Fourier-alignment observable for cyclic-group tasks. Entropy collapse is strongly coupled to the emergence of Fourier-aligned representations, suggesting that spectral entropy tracks concentration of the representation into task-structured directions rather than generic compression alone. The same qualitative dynamics appear in non-abelian group composition tasks, while MLP controls show that entropy collapse by itself is insufficient for grokking in the absence of appropriate inductive bias. Taken together, the results support a view of grokking as a representational phase transition with an observable geometric signature. We discuss the scope and limitations of this interpretation, connections to recent feature-learning and spectral-dynamics work, and directions for testing whether similar transitions appear in larger-scale learning systems.
Authors: Seifeldin Abdellatif, Ahmad Almasri
Abstract: Token pruning methods for Vision Transformers (ViTs) promise quadratic reductions in attention FLOPs by dropping uninformative patches. Yet standard variable-length attention APIs -- including FlashAttention-2's varlen and PyTorch's NestedTensor SDPA -- fail to translate these savings into proportional wall-clock gains at the short post-pruning sequence lengths typical of ViTs ($\leq$197 tokens). We identify a dispatch-overhead bottleneck: at these lengths, host-side kernel dispatch consumes ${\sim}$50\,$\mu$s regardless of workload, exceeding the actual GPU compute time at moderate-to-high pruning rates. We present a lightweight bidirectional Triton attention kernel whose dispatch floor is ${\sim}$24\,$\mu$s -- roughly 2.17$\times$ lower than FlashAttention-2 varlen -- allowing pruning savings to become visible in wall-clock time. Integrated into a complete pack-attend-unpack pipeline and evaluated on an NVIDIA RTX 4000 Ada Generation GPU, our system achieves 1.88$\times$ end-to-end throughput over padded PyTorch SDPA at standard 224$\times$224 inputs, scaling to 2.51$\times$ at 384$\times$384. Against FlashAttention-2 varlen -- the strongest baseline -- our kernel delivers 9-12\% higher throughput at serving batch sizes (BS=1-4), and 2.17$\times$ lower kernel latency at 80\% token pruning. Numerical correctness is verified with max absolute logit difference $<$0.004 and bit-exact top-1 predictions.
Authors: Argyrios Gerogiannis, Yu-Han Huang, Venugopal V. Veeravalli
Abstract: We study model-free reinforcement learning (RL) in non-stationary finite-horizon episodic Markov decision processes (MDPs) without prior knowledge of the non-stationarity. We focus on the piecewise stationary (PS) setting, where both rewards and transition dynamics can change at unknown times. We first revisit existing state-of-the-art approaches and identify theoretical and practical limitations that change the current landscape of performance guarantees. To characterize the difficulty of the problem, we establish the first minimax lower bounds for PS-RL in tabular and linear MDPs. We then introduce Detection Augmented Reinforcement Learning (DARLING), a modular wrapper for PS-RL that applies to both tabular and linear MDPs, without knowledge of the changes. In tabular MDPs, under change-point separability and reachability conditions, DARLING improves the best known dynamic regret bounds and matches our minimax lower bound. In linear MDPs, DARLING matches the minimax lower bound when the relevant reachability parameters are known, and our analysis clarifies the structural obstacles that distinguish this setting from the tabular case. Finally, through extensive experimentation across diverse non-stationary benchmarks, we show that DARLING consistently surpasses the state-of-the-art methods.
Authors: Ousmane Assani-Amate, Mohammadreza Bakhtyari, \'Emilie Roy, Vladimir Makarenkov
Abstract: Dimensionality reduction is a critical preprocessing step for clustering high-dimensional data, yet comprehensive evaluation of its impact across diverse methods and data types remains limited. In this study, we systematically assess the influence of five dimensionality reduction techniques - Principal Component Analysis (PCA), Kernel Principal Component Analysis (Kernel PCA), Variational Autoencoder (VAE), Isometric Mapping (Isomap), and Multidimensional Scaling (MDS) - on the performance of four popular clustering algorithms - k-means, Agglomerative Hierarchical Clustering (AHC), Gaussian Mixture Models (GMM), and Ordering Points to Identify the Clustering Structure (OPTICS). We evaluate clustering quality using the Adjusted Rand Index (ARI), comparing results without and with dimensionality reduction at different reduction levels recommended in the literature (i.e., k-1, where k is the number of clusters, and 25% and 50% of the original number of dimensions). Our findings underscore the importance of a careful selection of the dimensionality reduction technique and the dimensionality reduction level that should be tailored to intrinsic data geometry and clustering algorithms under consideration.
Authors: Jun Shu, Junxiong Jia, Deyu Meng, Zongben Xu
Abstract: Emergent intelligence have played a major role in the modern AI development. While existing studies primarily rely on empirical observations to characterize this phenomenon, a rigorous theoretical framework remains underexplored. This study attempts to develop a mathematical approach to formalize emergent intelligence from the perspective of limit theory. Specifically, we introduce a performance function E(N, P, K), dependent on data size N, model size P and training steps K, to quantify intelligence behavior. We posit that intelligence emerges as a transition from finite to effectively infinite knowledge, and thus recast emergent intelligence as existence of the limit $\lim_{N,P,K \to \infty} \mathcal{E}(N,P,K)$, with emergent abilities corresponding to the limiting behavior. This limit theory helps reveal that emergent intelligence originates from the existence of a parameter-limit architecture (referred to as the limit architecture), and that emergent intelligence rationally corresponds to the learning behavior of this limit system. By introducing tools from nonlinear Lipschitz operator theory, we prove that the necessary and sufficient conditions for existence of the limit architecture. Furthermore, we derive the scaling law of foundation models by leveraging tools of Lipschitz operator and covering number. Theoretical results show that: 1) emergent intelligence is governed by three key factors-training steps, data size and the model architecture, where the properties of basic blocks play a crucial role in constructing foundation models; 2) the critical condition Lip(T)=1 for emergent intelligence provides theoretical support for existing findings. 3) emergent intelligence is determined by an infinite-dimensional system, yet can be effectively realized in practice through a finite-dimensional architecture. Our empirical results corroborate these theoretical findings.
Authors: Thomas Carmichael
Abstract: Autoregressive transformers make confident errors that output-confidence monitoring cannot catch. Activation monitors catch them only when training leaves a decision-quality signal beyond what the output already exposes. This signal is an architectural property of the trained model, fixed upstream of any monitor. Controlling for output confidence removes 60.3% of the raw activation-probe signal on average across 14 models. Raw probe signal is mostly output confidence, and output-side readouts cannot recover the residual. What remains depends on architecture and training. In Pythia's controlled training, both matched-width configurations form the signal early. One preserves it through convergence while another erases it as perplexity continues to improve. Capability and observability are not inherently in tension. Across independently trained families this pattern persists, even as the collapse point shifts. Where the signal survives, monitoring catches what confidence cannot. On downstream QA, a WikiText-trained probe with no task-specific tuning catches about one in eight confident errors that output-confidence monitoring misses, at a 20% flag rate. These results establish signal engineering as a training-time design axis alongside loss and capability. Architecture sets the conditions for observability, and training determines what remains readable.
Authors: Yee Zhing Liew, Andrew Huey Ping Tan, Anwar P. P. Abdul Majeed
Abstract: Traditional hallucination detection fails on "Stubborn Hallucinations" - errors where LLMs are confidently wrong. We propose a geometric solution: Embedding-Perturbed Gradient Sensitivity (EPGS). We hypothesize that while robust facts reside in flat minima, stubborn hallucinations sit in sharp minima, supported by brittle memorization. EPGS detects this sharpness by perturbing input embeddings with Gaussian noise and measuring the resulting spike in gradient magnitude. This acts as an efficient proxy for the Hessian spectrum, differentiating stable knowledge from unstable memorization. Our experiments show that EPGS significantly outperforms entropy-based and representation-based baselines, providing a robust signal for detecting high-confidence factual errors.
Authors: Viet Thanh Duy Nguyen, John K. Johnstone, Truong-Son Hy
Abstract: Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing protein representation learning methods typically operate at a single structural level or treat different sources of structural information as parallel modalities, without explicitly modeling their hierarchical relationships. We introduce PRIME (Protein Representation via Physics-Informed Multiscale Equivariant Hierarchies), a unified framework that models proteins as a nested family of five physically grounded structural graphs spanning surface, atomic, residue, secondary-structure, and protein levels. Adjacent levels are connected through deterministic, physics-informed assignment operators, enabling bidirectional information exchange via bottom-up aggregation and top-down contextual refinement. Experiments on standard protein representation learning benchmarks demonstrate strong and competitive performance across diverse tasks, with particularly notable gains on the Fold Classification benchmark, where PRIME outperforms the strongest geometric GNN baseline by margins of 13.80 and 18.30 points on the harder Superfamily and Fold splits, and achieves a state-of-the-art accuracy of 84.10\% on Reaction Class prediction, surpassing all baseline methods, including ESM. Ablation studies confirm that each structural level contributes complementary and non-redundant information, and adaptive cross-attention analysis reveals that PRIME autonomously identifies the most task-relevant structural resolutions at prediction time. Our source code is publicly available at https://github.com/HySonLab/PRIME
Authors: Jingkai He, Pengfei Chen, Chenghui Wu, Shuang Liang, Ye Li, Gou Tan, Xiadao Wen, Chuanfu Zhang
Abstract: In the field of software operations, Large Language Models (LLMs) have attracted increasing attention. However, existing research has not yet achieved efficient and effective end-to-end intelligent operations due to low-quality data, fragmented knowledge and insufficient learning. To explore the potential of LLMs in software operations, we propose OpsLLM, a domain-specific LLM that supports both knowledge-based question answering (QA) and root cause analysis (RCA). Moreover, we disclose the detailed workflow for building LLMs specifically in the software operations domain. First, a Human-in-the-Loop mechanism is introduced to curate highquality data from a large collection of operational raw data and construct a fine-tuning dataset. Then, based on the data, supervised fine-tuning is conducted to achieve a base model. Furthermore, we introduce a domain process reward model (DPRM) during the reinforcement learning stage to optimize the accuracy and reliability of the fine-tuned model on RCA tasks. Experimental results on the tasks with diverse difficulties demonstrate that OpsLLMs effectively learns and aligns with the operational domain knowledge infused, outperforming existing open-source and closed-source LLMs in accuracy with improvements of 0.2%~5.7% on QA tasks and 2.7% ~70.3% on RCA tasks, while exhibiting strong transferability. Moreover, we will open-source three versions of OpsLLM with 7B, 14B and 32B parameters, along with a 15K fine-tuning dataset.
Authors: Eitan Kosman, Gabriele Serussi, Chaim Baskin
Abstract: Modality translation is inherently under-constrained, as multiple cross-modal mappings may yield the same marginals. Recent work has shown that diffusion bridges are effective for this task. However, most existing approaches rely on fully paired datasets, thereby imposing a single data-driven constraint. We propose a diffusion-bridge framework that characterizes the space of admissible solutions and restricts it via alignment constraints, treating paired supervision as an optional heuristic rather than a prerequisite. We validate our method on synthetic and real modality translation benchmarks across unpaired, semi-paired, and paired regimes, showing consistent performance across supervision levels. Notably, \textbf{it achieves near fully-paired quality with a substantial relaxation in pairing requirements, and remaining applicable in the unpaired regime}. These results highlight diffusion bridges as a flexible foundation for modality translation beyond fully paired data.
Authors: Pasquale Ardimento, Mario Luca Bernardi, Marta Cimitile, Samuele Latorre
Abstract: This paper presents a reproducible and process-aware pipeline for predictive monitoring of clinical pathways. The approach integrates data lifting, temporal reconstruction, event log construction, prefix-based representations, and predictive modeling to support continuous reasoning on partially observed patient trajectories, overcoming the limitations of traditional retrospective process mining. The framework is evaluated on COVID-19 clinical pathways using ICU admission as the prediction target, considering 4,479 patient cases and 46,804 prefixes. Predictive models are trained and evaluated using a case-level split, with 896 patients in the test set. Logistic Regression achieves the best performance (AUC 0.906, F1-score 0.835). A detailed prefix-based analysis shows that predictive performance improves progressively as new clinical events become available, with AUC increasing from 0.642 at early stages to 0.942 at later stages of the pathway. The results highlight two key findings: predictive signals emerge progressively along clinical pathways, and process-aware representations enable effective early risk estimation from evolving patient trajectories. Overall, the findings suggest that predictive monitoring in healthcare is best conceived as a continuous, dynamically aware process, in which risk estimates are progressively refined as the patient journey evolves.
Authors: Guoze Sun, Tianya Miao, Haoyang Huang, Huaguan Chen, Han Wan, Rui Zhang, Hao Sun
Abstract: Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate forward analysis but do not close the loop because gradients from objectives to geometry are often unavailable. Existing differentiable methods either rely on restrictive parameterizations or unstable latent optimization driven by scalar objectives, limiting interpretability and part-wise control. To address these challenges, we propose Geometry-Aware Neural Optimizer (GANO), an end-to-end differentiable framework that unifies geometry representation, field-level prediction, and automated optimization/inversion in a single latent-space loop. GANO encodes shapes with an auto-decoder and stabilizes latent updates via a denoising mechanism, and a geometry-injected surrogate provides a reliable gradient pathway for geometry updates. Moreover, GANO supports part-wise control through null-space projection and uses remeshing-free projection to accelerate geometry processing. We further prove that denoising induces an implicit Jacobian regularization that reduces decoder sensitivity, yielding controlled deformations. Experiments on three benchmarks spanning 2D Helmholtz, 2D airfoil, and 3D vehicles show state-of-the-art accuracy and stable, controllable updates, achieving up to +55.9% lift-to-drag improvement for airfoils and ~7% drag reduction for vehicles.
Authors: Mehrab Mahdian, Ferenc Ender, Tamas Pardy
Abstract: Electrospinning is a highly sensitive fabrication process in which small variations in operating parameters can significantly influence fiber morphology and material performance. Machine learning (ML) methods are increasingly employed to model these process-structure relationships and to identify the relative importance of processing variables. However, most existing studies rely on a single ML model, implicitly assuming that the resulting feature importance is robust and reproducible. In this study, the consistency of feature importance across multiple ML model families was systematically evaluated using a curated dataset of 96 polyvinyl alcohol (PVA) electrospinning experiments. Twenty-one ML models representing linear, tree-based, kernel-based, neural network, and instance-based approaches were trained and compared. To provide a unified interpretability framework, SHAP (SHapley Additive exPlanations) values were used to calculate feature importance consistently across all models. A rank-based statistical analysis was then performed to quantify inter-model agreement and assess the robustness of parameter rankings. The results demonstrate that predictive performance and interpretive reliability are fundamentally distinct properties. Although several models achieved comparable predictive accuracy, substantial differences were observed in their feature importance rankings. Solution concentration emerged as the most robust and consistently influential parameter (variability = 0), whereas flow rate and applied voltage exhibited high ranking variability (variability > 0.9), indicating strong model dependence. These findings suggest that feature importance derived from a single ML model may be unreliable, particularly for small experimental datasets, and highlight the importance of cross-model validation for achieving trustworthy interpretation in ML-assisted electrospinning research.
Authors: Xuan Qi, Yi Wei, Fanqi Yu, Furao Shen, Vittorio Murino, Cigdem Beyan
Abstract: Batch normalization (BN) is central to modern deep networks, but its effect on the realized function during training remains less understood than its optimization benefits. We study training-time BN in continuous piecewise-affine (CPA) networks through the geometry of switching hyperplanes and the induced affine-region partition. Conditioned on a mini-batch, we show that BN defines for each neuron a reference hyperplane through the batch centroid, and that breakpoint-switching hyperplanes are parallel translates whose offsets are expressed in batch-standardized coordinates and are independent of the raw bias. This yields an exact criterion for when a switching hyperplane intersects a local $\ell_\infty$ window and motivates a local region-density functional based on exact affine-region counts. Under explicit sufficient conditions, we show that BN increases expected local partition refinement in ReLU and more general piecewise-affine networks, and that this mechanism transfers locally through depth inside parent affine regions where the upstream representation map is an affine embedding. These results provide a function-level geometric account of training-time BN as a batch-conditional recentering mechanism near the data.
Authors: Yoav Gelberg, Yam Eitan, Michael Bronstein, Yarin Gal, Haggai Maron
Abstract: Long-context language modeling is increasingly constrained by the Key-Value (KV) cache, whose memory and decode-time access costs scale linearly with the prefix length. This bottleneck has motivated a range of context-compression methods, from token-level summarization to recent optimization-based KV compression methods. These post-hoc methods operate on the KV cache of a fixed pretrained model, so their effectiveness is fundamentally limited by how well the model's internal representations can be compressed. In this work, we formalize the notion of KV compressibility and show that it is a property of the learned representations, rather than of the context alone. We prove that almost any sequence-to-vector function admits both highly compressible and inherently non-compressible transformer implementations, highlighting the need to guide transformers toward compressible representations during training. Motivated by this, we propose KV-Compression Aware Training (KV-CAT), a continued pretraining procedure that incentivizes the emergence of compressible representations. We introduce a train-time KV sparsification policy that masks KV slots during training. This forces the model to use fewer KV slots and encourages it to learn representations amenable to post-hoc compression. Empirically, we show that KV-CAT improves the quality-budget tradeoff of downstream compression methods across retrieval, long-context question answering, and perplexity-based evaluation of compressed-prefix continuation.
Authors: Liu Hanqing, Jianjun Cao, Yuanze Li, Zijian Zhou
Abstract: Deep neural networks exhibit periodic loss spikes during unregularized long-term training, a phenomenon known as the "Slingshot Mechanism." Existing work usually attributes this to intrinsic optimization dynamics, but its triggering mechanism remains unclear. This paper proves that this phenomenon is a result of floating-point arithmetic precision limits. As training enters a high-confidence stage, the difference between the correct-class logit and the other logits may exceed the absorption-error threshold. Then during backpropagation, the gradient of the correct class is rounded exactly to zero, while the gradients of the incorrect classes remain nonzero. This breaks the zero-sum constraint of gradients across classes and introduces a systematic drift in the parameter update of the classifier layer. We prove that this drift forms a positive feedback loop with the feature, causing the global classifier mean and the global feature mean to grow exponentially. We call this mechanism Numerical Feature Inflation (NFI). This mechanism explains the rapid norm growth before a Slingshot spike, the subsequent reappearance of gradients, and the resulting loss spike. We further show that NFI is not equivalent to an observed loss spike: in more practical tasks, partial absorption may not produce visible spikes, but it can still break the zero-sum constraint and drive rapid growth of parameter norms. Our results reinterpret Slingshot as a numerical dynamic of finite-precision training, and provide a testable explanation for abnormal parameter growth and logit divergence in late-stage training.
Authors: Yi Wei, Xuan Qi, Furao Shen, Jian Zhao, Vittorio Murino, Cigdem Beyan
Abstract: Piecewise affine neural networks (PANNs) provide a principled geometric perspective on neural network expressivity by characterizing the input--output map as a continuous piecewise affine (CPA) function whose complexity is governed by the number, arrangement, and shapes of its affine regions. However, existing interpretability and expressivity analyses often rely on indirect proxies (e.g., activation statistics or theoretical upper bounds) and rarely offer practical, accurate tools for enumerating and visualizing the induced region partition under realistic architectures and bounded input domains. In this work, we present AffineLens, a unified framework for computing the hyperplane arrangements and polyhedral structures underlying PANNs. Given a calibrated (bounded) input polytope, AffineLens identifies the subset of neuron-induced hyperplanes that intersect the domain, enumerates the resulting affine sub-regions in a layer-wise manner, and returns provably non-empty maximal CPA regions together with interior representatives. The framework further provides visualizations of region partitioning and decision boundaries, enabling qualitative inspection alongside quantitative region counts. By exploiting the affine restriction property of CPA networks under fixed activation patterns, AffineLens supports a broad class of modern components, including batch normalization, pooling, residual connections, multilayer perceptrons, and convolutional layers. Finally, we use AffineLens to perform a systematic empirical study of architectural expressivity, comparing networks through region complexity metrics and revealing how design choices influence the geometry of learned functions.
Authors: Ye Su, Jian Li, Yong Liu
Abstract: Benign overfitting is well-characterized in $\ell_2$ geometries, but its behavior under the $\ell_1$ implicit bias of greedy ensembles remains challenging. The analytical barrier stems from the non-linear coupling of coordinate selection thresholds, which invalidates standard spectral resolvent tools. To isolate this algorithmic bias, we characterize the high-dimensional risk of continuous-time $\ell_2$-Boosting over $p$ features and $n$ samples. By coupling the Convex Gaussian Minimax Theorem with delicate asymptotic expansions of double-sided truncated Gaussian moments, we analytically resolve the non-smooth $\ell_1$ interpolant. Under an isotropic pure-noise model, we prove that benign overfitting fails at the linear rate: greedy selection localizes noise into sparse active sets, and the excess variance decays at a logarithmic rate $\Theta(\sigma^2/\log(p/n))$ for noise variance $\sigma^2$. We remark that while this localization mechanism should persist in the presence of signals, the exact signal-noise decomposition remains an open problem. For spiked-isotropic designs with $k^*$ head eigenvalues and $r_2 = p - k^*$ tail dimensions, the risk converges to zero when $r_{2} \gg n$, but only at a logarithmic rate $\Theta(\sigma^2/\log(r_2/n))$, which is slower than the linear decay observed in $\ell_2$ geometries. To avoid this slow convergence, we analyze the non-smooth subdifferential dynamics of the boosting flow. This yields a tuning-free early stopping rule that, under a bounded $\ell_1$-path condition, recovers the Lasso basic inequality and attains the minimax-optimal empirical prediction rate for $\ell_1$-bounded signals.
Authors: Daniel Uyterlinde, Swasti Shreya Mishra, Pascal Mettes
Abstract: Concept Bottleneck Models (CBMs) have become a popular approach to enable interpretability in neural networks by constraining classifier inputs to a set of human-understandable concepts. While effective, current models embed concepts in flat Euclidean space, treating them as independent, orthogonal dimensions. Concepts, however, are highly structured and organized in semantic hierarchies. To resolve this mismatch, we propose Hyperbolic Concept Bottleneck Models (HypCBM), a post-hoc framework that grounds the bottleneck in this structure by reformulating concept activation as asymmetric geometric containment in hyperbolic space. Rather than treating entailment cones as a pre-training penalty, we show they encode a natural test-time activation signal: the margin of inclusion within a concept's entailment cone yields sparse, hierarchy-aware activations without any additional supervision or learned modules. We further introduce an adaptive scaling law for hierarchically faithful interventions, propagating user corrections coherently through the concept tree. Empirically, HypCBM rivals post-hoc Euclidean models trained on 20$\times$ more data in sparse regimes required for human interpretability, with stronger hierarchical consistency and improved robustness to input corruptions.
Authors: Nadav Timor, Ravid Shwartz-Ziv, Micah Goldblum, Yann LeCun, David Harel
Abstract: State-of-the-art model-based reinforcement learning methods train policies on imagined rollouts. These rollouts are trajectories generated by a learned dynamics model and are scored by a learned reward model, but without querying the true environment during policy updates. We study this training paradigm by quantifying how errors in learned dynamics and reward models affect returns and policy optimization. First, we extend the analysis of Asadi et al. (2018) to MDPs with learned reward models, and derive the optimal sample allocation--the ratio of dynamics samples to reward samples that minimizes a bound on return error under power-law scaling assumptions. We identify lower Lipschitz constants of the learned dynamics, reward, and policy as a representation desideratum that tightens this bound, and we connect this perspective to the temporal-straightening objective of Wang et al. (2026). Second, we examine how policy optimization with REINFORCE tolerates noisy rewards, which are often cheaper to obtain. We show that zero-mean reward noise leaves the gradient estimator unbiased and adds at most a variance term that decreases with the number of rollouts. This introduces a practical tradeoff: given a fixed budget, should one buy more rollouts with cheaper but noisier rewards, or fewer rollouts with more expensive but less noisy rewards? We reduce this choice to a one-dimensional optimization problem and characterize the optimum.
Authors: Rachel Ma, Dylan Hadfield-Menell, Kristjan Greenewald
Abstract: Inference-time scaling methods rely on Process Reward Models (PRMs), which are often poorly calibrated and overestimate success probabilities. We propose, to our knowledge, the first use of conditional optimal transport for calibrating PRMs, modifying conditional OT (CondOT) map learning \cite{bunne2022supervised} to estimate a monotonic conditional quantile function over success probabilities estimated by the PRM, conditioned on PRM hidden states. This yields structurally valid quantile estimates and enables efficient extraction of confidence bounds at arbitrary levels, which we integrate into the instance-adaptive scaling (IAS) framework of \cite{park2025know}. We evaluate on mathematical reasoning benchmarks spanning moderate-difficulty problems (MATH-500) and harder out-of-distribution problems (AIME). For PRMs with reliable ranking signals, our method substantially improves calibration over both uncalibrated PRMs and quantile regression. On downstream Best-of-N IAS performance, our method generally improves over uncalibrated PRMs. These results establish conditional optimal transport as another principled and practical approach to PRM calibration, offering structural guarantees and flexible uncertainty estimation.
Authors: Xinyu Zhao, Nikita Karagodin, Hamed Hassani, Sinan Hersek, Paul Pu Liang, Yury Polyanskiy
Abstract: While many approaches to improve VQ-VAE performance focus on codebook size and utilization, the effect of dimensional collapse, where trained VQ-VAE representations live in an extremely low-dimensional subspace (1-2% of full rank), remains unaddressed. We show theoretically and empirically that dimension collapse causes a hard loss lower bound that various codebook improvement techniques fail to surpass. Our analytic framework extends the sequential learning effect of Saxe et al. [2014] by introducing ideas from rate-distortion theory and explains how the latent collapse is caused by the VQ suppressing lower-variance directions. Our theory justifies a simple solution: a "warm-up phase" that trains the model as an (unquantized) autoencoder before introducing VQ. On both synthetic experiments and large-scale image (VQGAN) and audio (WavTokenizer) VQ-VAEs, we show that AE Warm-Up successfully restores representation dimension, leading to lower reconstruction and perceptual loss at the same training budget. Across codebook sizes $K \in$ {$2^{10}, 2^{14}, 2^{16}$}, AE warm-up raises VQGAN codebook effective dimension from 3-5 to 17-19 and reduces rFID by 17-35%; on WavTokenizer at $K \in$ {$2^{13}, 2^{14}$}, it raises codebook dimension from 4 to 17-19 and improves PESQ by 11-14%. We empirically characterize how warm-up duration governs the achievable final loss. In agreement with experiment, our theoretical analysis predicts downstream performance as a function of warm-up length, enabling an adaptive criterion for switching from AE Warm-up to VQ-VAE training.
Authors: Stepan Kulibaba, Kirill Labzin, Artem Dzhalilov, Roman Pakhomov, Oleg Svidchenko, Alexander Gasnikov, Aleksei Shpilman
Abstract: Sparse MoE models achieve a good balance between capacity and compute by routing each token to a small subset of experts. However, in most MoE architectures, once a token is routed, the selected experts process it independently and their outputs are combined via a weighted sum. This leaves open whether enabling communication among them could improve performance. While prior work has raised this question, direct interaction among the active routed experts remains underexplored. In this paper, we propose SDG-MoE (Signed Debate Graph Mixture-of-Experts), a novel architecture that adds a lightweight, iterative deliberation step before final aggregation. SDG-MoE introduces three components: (i) two learned interaction matrices over the active experts, a support graph $A^+$ and a critique graph $A^-$, capturing reinforcing and corrective influences; (ii) a signed message-passing step that updates expert representations before aggregation; and (iii) a disagreement-gated Friedkin-Johnsen-style anchoring that controls deliberation strength while preventing expert drift. Together, these enable a structured deliberation process where interaction strength scales with disagreement and specialization is preserved. We also provide a theoretical analysis establishing stability conditions on expert states and showing that deliberation adds only low-order overhead over the active set. In controlled three-seed pretraining experiments, SDG-MoE improves validation perplexity over both an unsigned graph communication baseline and vanilla MoE, outperforming the strongest baseline by 19.8%, and gives the best external perplexity on WikiText-103, C4, and Paloma among the compared systems.
Authors: Zehua Jiang, Fenghao Zhu, Xinquan Wang, Chongwen Huang, Zhaoyang Zhang
Abstract: Generative models based on flow matching have emerged as a powerful paradigm for inverse problems, offering straighter trajectories and faster sampling compared to diffusion models. However, existing approaches often necessitate differentiating through unrolled paths, leading to numerical instability and prohibitive computational overhead. To address this, we propose P-Flow, a framework that stabilizes the reconstruction process by leveraging a proxy gradient to update the source point. This approach effectively circumvents the numerical instability and memory overhead of long-chain differentiation. To ensure consistency with the prior distribution, we employ a Gaussian spherical projection motivated by the concentration of measure phenomenon in high-dimensional spaces. We further provide a theoretical analysis for P-Flow based on Bayesian theory and Lipschitz continuity. Experiments across diverse restoration tasks demonstrate that P-Flow delivers competitive performance, especially under extreme degradations such as severely ill-posed conditions and high measurement noise.
Authors: Pavel Prochazka
Abstract: We propose training Bayesian neural networks by directly minimizing the Bethe free energy rather than maximizing a variational lower bound. On tree-structured factor graphs the Bethe free energy is exact; deterministic layers drop out of the objective and are trained by standard backpropagation, so the framework accommodates any mixture of probabilistic and deterministic subgraphs without modification. Restricting the weight posterior to a last-layer Gaussian yields analytically tractable losses: for a Gaussian likelihood the Bethe loss equals the exact marginal likelihood, and for a probit likelihood it reduces to a closed form via the probit-Gaussian convolution. Both objectives sit strictly between MAP and the ELBO ($L_\text{MAP} \leq L_\text{Bethe} \leq L_\text{ELBO}$), removing the structural Jensen gap that no choice of variational family can close. The Z-consistent prior formulation makes the prior precision a differentiable parameter, enabling empirical Bayes - joint optimization of weights, covariance, and hyperparameters - in a single gradient pass, with no cross-validation or outer loop. All variants admit a closed-form predictive at MAP-equivalent inference cost, in contrast to ensemble and sampling-based methods. On 8 UCI regression and 12 UCI classification benchmarks evaluated under a single shared hyperparameter regime, Bethe is competitive with standard reference methods at single-pass cost. Independently, joint single-pass empirical Bayes matches grid-search cross-validation of the prior precision on essentially all dataset-variant combinations, eliminating the outer hyperparameter loop without measurable cost. Isolated optimization gaps on a few datasets reflect numerical rather than principled limitations of the framework.
Authors: Zhiming Huang, Bingshan Hu, Jianping Pan
Abstract: We revisit combinatorial Thompson sampling (CTS) for semi-bandits with sleeping arms, where arm availability varies over time and actions must satisfy combinatorial constraints, as in wireless mesh routing with fluctuating link availability. Despite its practical relevance, CTS has been hindered by several long-standing problems: (i) the absence of worst-case regret guarantees in the semi-bandit setting even without sleeping arms, (ii) the lack of theory under adversarially varying availability, and (iii) the consistently weak empirical performance of CTS with Gaussian priors (CTS-G). This paper resolves these long-standing issues by providing the first worst-case regret analysis of CTS-G, proving an upper bound of $\tilde{O}(m\sqrt{NT})$ and a matching lower bound of $\tilde{\Omega}(m\sqrt{NT})$. To bridge the gap between theory and practice, we further propose CL-SG, a simple CTS-G variant that samples a single shared Gaussian seed each round to coordinate exploration across arms. We show that CL-SG achieves an improved regret bound of $\tilde{O}(\sqrt{mNT})$, together with a matching lower bound $\Omega(\sqrt{mNT})$. Experiments on real-world datasets demonstrate that CL-SG consistently outperforms strong baselines including CTS-G and CTS-B, and we open-source our implementation for reproducibility.
Authors: Lennon J. Shikhman
Abstract: Neural operators provide fast surrogate models for time-dependent partial differential equations, but their standard autoregressive use usually assumes that the instantaneous field $u(t,\cdot)$ is a complete state. This assumption fails for delay equations, distributed-memory systems, and other non-Markovian dynamics: two trajectories may agree at time $t$ and nevertheless have different futures because their histories differ. We introduce the History-Space Fourier Neural Operator (HS-FNO), a neural operator for delay and memory-driven PDEs formulated on the lifted state $u_t(\theta,x)=u(t+\theta,x)$, $\theta\in[-\tau,0]$. The key computational step is to decompose one history-state update into a learned predictor for the newly exposed future slice and an exact shift-append transport for the portion of the history window already known from the previous state. This avoids learning deterministic history coordinates, reduces the learned output dimension, and enforces the natural discrete history update. We test HS-FNO on five benchmark families covering delayed reaction--diffusion, spatial epidemiology, nonlocal neural-field dynamics, delayed waves, and distributed-memory closures. Across ten random seeds, HS-FNO attains the lowest aggregate one-step, history-space, and rollout errors among the principal baselines. The largest gain occurs in autoregressive prediction, where aggregate rollout error decreases from $0.241$, $0.188$, and $0.185$ for current-state, lag-stack, and unconstrained history-to-history operators, respectively, to $0.094$. The same model uses fewer parameters than unconstrained history prediction. These results indicate that enforcing the discrete shift structure of history-state evolution is an effective inductive bias for non-Markovian PDE surrogate modeling.
Authors: Alberto Fern\'andez-Hern\'andez, Cristian P\'erez-Corral, Jose I. Mestre, Manuel F. Dolz, Enrique S. Quintana-Ort\'i
Abstract: Recent evidence suggests that Adam performs robustly when its momentum parameters are tied, $\beta_1=\beta_2$, reducing the optimizer to a single remaining parameter. However, how this parameter should be set remains poorly understood. We argue that, in balanced Adam, $\beta$ should not be treated as a dimensionless constant: it defines a statistical memory horizon $H_\beta=(1-\beta)^{-1}$. In terms of the effective learning horizon $T_{\mathrm{ES}}$, estimated from the validation trajectory, we study the refresh count $R_\beta=(1-\beta)T_{\mathrm{ES}}$, which measures how many times Adam renews its internal statistics during the useful phase of training. Across 11 vision and language experiments, we find that choosing $\beta$ so that $R_\beta\approx1000$ selects different $\beta$ values depending on the training scale, yet improves robustness over the best fixed-beta baseline. Compared with the strongest fixed choice $\beta=0.944$, the refresh rule improves worst-case robustness, reducing the maximum relative gap in validation loss by 33.4\%, while bringing all 11 runs within 1\% of their validation oracle. These results suggest that the remaining hyperparameter of balanced Adam is more naturally viewed as a memory-scale variable than as a fixed constant. This provides a simple budget-aware perspective on optimizer scaling and opens a path toward treating Adam's momentum as part of the learning dynamics rather than as a static default.
Authors: Michal Korniak, Miko{\l}aj Czarnecki, Yarden As, Piotr Mi{\l}o\'s, Pieter Abbeel, Michal Nauman
Abstract: Modern off-policy reinforcement learning algorithms often rely on simple uniform replay sampling and it remains unclear when and why non-uniform replay improves over this strong baseline. Across diverse RL settings, we show that the effectiveness of non-uniform replay is governed by three factors: replay volume, the number of replayed transitions per environment step; expected recency, how recent sampled transitions are; and the entropy of the replay sampling distribution. Our main contribution is clarifying when non-uniform replay is beneficial and providing practical guidance for replay design in modern off-policy RL. Namely, we find that non-uniform replay is most beneficial when replay volume is low, and that high-entropy sampling is important even at comparable expected recency. Motivated by these findings, we adopt a simple Truncated Geometric replay that biases sampling toward recent experience while preserving high entropy and incurring negligible computational overhead. Across large-scale parallel simulation, single-task, and multi-task settings, including three modern algorithms evaluated on five RL benchmark suites, this replay sampling strategy improves sample efficiency in low-volume regimes while remaining competitive when replay volume is high.
Authors: Hengrui Zhang, Boao Kong, Engao Zhang, Kun Yuan
Abstract: Stochastic bilevel optimization (SBO) has become a standard framework for hyperparameter learning, data reweighting, representation learning, and data-mixture optimization in deep learning. Existing exact single-loop SBO methods and memory-efficient surrogate SBO methods either create severe memory pressure for large lower-level neural networks or lack competitive convergence guarantees under standard assumptions. In this paper, we propose BROS, a memory-efficient single-loop SBO method with the same convergence rate order as exact single-loop SBO methods. BROS performs lower and auxiliary updates in randomized subspaces with a Rademacher bi-probe correction that recovers an unbiased Hessian-action estimator. We prove that BROS preserves the $\mathcal O(\varepsilon^{-2})$ sample complexity of MA-SOBA for finding an $\varepsilon$-stationary point under only standard assumptions. Experiments on hyper-data cleaning, data-mixture learning, hyper-representation learning, and ViT sample reweighting show that BROS reduces peak memory by up to 44.9% while closely matching full-space baseline performance.
Authors: Pedro M. P. Curvo, Maksim Zhdanov, Floor Eijkelboom, Jan-Willem van de Meent
Abstract: Existing approaches to controllable generation typically rely on fine-tuning, auxiliary networks, or test-time search. We show that flow matching admits a different control interface: adaptation through examples. For deterministic interpolants, the velocity field is solely governed by a conditional endpoint mean; shifting this mean shifts the flow itself. This yields a simple principle for controllable generation: steer a pretrained model by changing the reference set it follows. We instantiate this idea in two forms. Reference-Mean Guidance is training-free: it computes a closed-form endpoint-mean correction from a reference bank and applies it to a frozen FLUX.2-klein (4B) model, enabling control of color, identity, style, and structure while keeping the prompt, seed, and weights fixed. Semi-Parametric Guidance amortizes the same idea through an explicit mean anchor and learned residual refiner, matching unconditional DiT-B/4 quality on AFHQv2 while allowing the reference set to be swapped at inference time. These results point to a broader direction: generative models that adapt through data, not parameter updates.
Authors: Yang Yang, Du Yin, Hao Xue, Flora Salim
Abstract: Modeling uncertainty in heavy-tailed time series remains a critical challenge for deep probabilistic forecasting models, which often struggle to capture abrupt, extreme events. While L\'evy stable distributions offer a natural framework for modeling such non-Gaussian behaviors, the intractability of their probability density functions severely limits conventional likelihood-based inference. To address this, we introduce DeepL\'evy, a neural framework that learns mixtures of L\'evy stable distributions by minimizing the discrepancy between empirical and parametric characteristic functions. DeepL\'evy incorporates a mixture mechanism that adaptively learns context-dependent weights and parameters over multiple L\'evy components, enabling flexible multi-horizon uncertainty modeling. Evaluations on both real and synthetic datasets demonstrate that DeepL\'evy outperforms state-of-the-art deep probabilistic forecasting approaches in tail risk metrics, especially under extreme volatility.
Authors: Xiao Tian, Jue Fan, Rachael Hwee Ling Sim, Zixuan Wang, Nancy F. Chen, Bryan Kian Hsiang Low
Abstract: Data selection studies the problem of identifying high-quality subsets of training data. While some existing works have considered selecting the subset of data with top-$m$ Data Shapley or other semivalues as they account for the interaction among every subset of data, other works argue that Data Shapley can sometimes perform ineffectively in practice and select subsets that are no better than random. This raises the questions: (I) Are there certain "Shapley-informative" settings where Data Shapley consistently works well? (II) Can we strategically utilize these settings to select high-quality subsets consistently and efficiently? In this paper, we propose a novel data selection framework, NASH (Non-linear Aggregation of SHapley-informative components), which (I) decomposes the target utility function (e.g., validation accuracy) into simpler, Shapley-informative component functions, and selects data by optimizing an objective that (II) aggregates these components non-linearly. We demonstrate that NASH substantially boosts the effectiveness of Shapley/semivalue-based data selection with minimal additional runtime cost.
Authors: Jakeb Chouinard
Abstract: Periodic signals are critical for representing physical and perceptual phenomena. Scalar, real angular measures, e.g., radians and degrees, result in difficulty processing and distinguishing nearby angles, especially when their absolute difference exceeds pi. We can avoid this problem by using real-valued, periodic embeddings in high-dimensional space. These representations also allow us to control the nature of their dot product similarities, allowing us to construct a variety of different kernel shapes. In this work, we aim of highlight how these representations can be constructed and focus on the formalization of Dirichlet and periodic Gaussian kernels using the neurally-plausible representation scheme of Spatial Semantic Pointers.
Authors: Yixuan Yang, Mehak Arora, Ryan Zhang, Baraa Abed, Junseob Kim, Tilendra Choudhary, Md Hassanuzzaman, Kevin Zhu, Ayman Ali, Chengkun Yang, Alasdair Edward Gent, Victor Moas, Rishikesan Kamaleswaran
Abstract: We present Clin-JEPA, a multi-phase co-training framework for joint-embedding predictive (JEPA) pretraining on EHR patient trajectories. JEPA architectures have enabled latent-space planning in robotics and high-quality representation learning in vision, but extending the paradigm to EHR data -- to obtain a single backbone that simultaneously forecasts patient trajectories and serves diverse downstream risk-prediction tasks without per-task fine-tuning -- remains an open challenge. Existing JEPA frameworks either discard the predictor after pretraining (I-JEPA, V-JEPA) or train it on a frozen pretrained encoder (V-JEPA 2-AC), leaving the encoder unaware of the rollout signal that the retained predictor must use at inference; co-training the encoder and predictor under a shared JEPA prediction objective would supply this grounding, but na\"ive co-training is unstable, with representation collapse and online/target drift causing autoregressive rollout to diverge. Clin-JEPA's five-phase pretraining curriculum -- predictor warmup, joint refinement, EMA target alignment, hard sync, and predictor finalization -- addresses each failure mode by phase, stably co-training a Qwen3-8B-based encoder and a 92M-parameter latent trajectory predictor. On MIMIC-IV ICU data, three independent evaluations support the framework: (1) latent $\ell_1$ rollout drift uniquely converges ($-$15.7%) over 48-hour horizons while baselines and ablations diverge (+3% to +4951%); (2) the encoder learns a clinically discriminative latent geometry (deteriorating-patient cohorts displace 4.83$\times$ further than stable patients in latent space, vs $\leq$2.62$\times$ for baseline encoders); (3) a single backbone outperforms strong tabular and sequence baselines on multi-task downstream evaluation. Clin-JEPA achieves mean AUROC 0.851 on ICareFM EEP and 0.883 on 8 binary risk tasks (+0.038 and +0.041 vs baseline average).
Authors: Chenyang Song, Weilin Zhao, Xu Han, Chaojun Xiao, Yingfa Chen, Zhiyuan Liu
Abstract: While Mixture-of-Experts (MoE) scales model capacity without proportionally increasing computation, its massive total parameter footprint creates significant storage and memory-access bottlenecks, which hinder efficient end-side deployment that simultaneously requires high performance, low computational cost, and small storage overhead. To achieve these properties, we present DECO, a sparse MoE architecture designed to match the performance of dense Transformers under identical total parameter budgets and training tokens. DECO utilizes the differentiable and flexible ReLU-based routing enhanced by learnable expert-wise scaling, which adaptively balances the contributions of routed and shared experts. Furthermore, we introduce NormSiLU, an activation function that normalizes inputs prior to SiLU operators, producing a more stable trend of routed-expert activation ratio and a higher intrinsic sparsity level. We also identify an empirical advantage in using non-gated MLP experts with ReLU-based routing, indicating the possibility of MoE architecture simplification. Experiments demonstrate that DECO, activating only 20% of experts, matches dense performance and outperforms established MoE baselines. Our specialized acceleration kernel delivers a 3.00$\times$ speedup on real hardware compared with dense inference. Codes and checkpoints are all available at https://github.com/thunlp/DECO.
Authors: Puntawat Ponglertnapakorn, Nontawat Tritrong, Supasorn Suwajanakorn
Abstract: We introduce a novel approach to single-view face relighting in the wild, addressing challenges such as global illumination and cast shadows. A common scheme in recent methods involves intrinsically decomposing an input image into 3D shape, albedo, and lighting, then recomposing it with the target lighting. However, estimating these components is error-prone and requires many training examples with ground-truth lighting to generalize well. Our work bypasses the need for accurate intrinsic estimation and can be trained solely on 2D images without any light stage data, relit pairs, multi-view images, or lighting ground truth. Our key idea is to leverage a conditional diffusion implicit model (DDIM) for decoding a disentangled light encoding along with other encodings related to 3D shape and facial identity inferred from off-the-shelf estimators. We propose a novel conditioning technique that simplifies modeling the complex interaction between light and geometry. It uses a rendered shading reference along with a shadow map, inferred using a simple and effective technique, to spatially modulate the DDIM. Moreover, we propose a single-shot relighting framework that requires just one network pass, given pre-processed data, and even outperforms the teacher model across all metrics. Our method realistically relights in-the-wild images with temporally consistent cast shadows under varying lighting conditions. We achieve state-of-the-art performance on the standard benchmark Multi-PIE and rank highest in user studies. Please visit our page: https://diffusion-face-relighting-pp.github.io
Authors: Jin Zhu, Junxian Zhu, Zezhi Wang, Borui Tang, Hongmei Lin, Xueqin Wang
Abstract: Sparsity-constrained optimization underlies many problems in signal processing, statistics, and machine learning. State-of-the-art hard-thresholding (HT) algorithms rely on an appropriately selected continuous step-size parameter to ensure convergence. In this paper, we propose a naturally convergent iterative algorithm, SCOPE (Sparsity-Constrained Optimization via sPlicing itEration). The algorithm is capable of optimizing nonlinear differentiable objective functions that are strongly convex and smooth on low-dimensional subspaces. SCOPE replaces the gradient step with a splicing operation guided directly by the objective value, thereby eliminating the need to tune any continuous hyperparameter. Theoretically, it achieves a linear convergence rate and recovers the true support set when the sparsity level is correctly specified. We also establish parallel theoretical results without relying on restricted-isometry-property-type conditions. We apply SCOPE's versatility and power to solve sparse quadratic optimization, learn sparse classifiers, and recover sparse Markov networks for binary variables. With our C++ implementation of SCOPE, numerical experiments on these tasks show that it achieves superior support recovery performance, confirming both its algorithmic efficiency and theoretical guarantees.
Authors: Zhanglu Yan, Zhenyu Bai, Weng-Fai Wong
Abstract: Spiking Neural Networks (SNNs) promise higher energy efficiency over conventional Quantized Artificial Neural Networks (QNNs) due to their event-driven, spike-based computation. However, prevailing energy evaluations often oversimplify, focusing on computational aspects while neglecting critical overheads like comprehensive data movement and memory access. Such simplifications can lead to misleading conclusions regarding the true energy benefits of SNNs. This paper presents a rigorous re-evaluation. We establish a fair baseline by mapping rate-encoded SNNs with $T$ timesteps to functionally equivalent QNNs with $\lceil \log_2(T+1) \rceil$ bits. This ensures both models have comparable representational capacities, as well has similar hardware requirement, enabling meaningful energy comparisons. We introduce a detailed analytical energy model encompassing core computation and data movement. Using this model, we systematically explore a wide parameter space, including intrinsic network characteristics ($T$, spike rate $s_r$, QNN sparsity $\gamma$, model size $N$, weight bit-level) and hardware characteristics (memory system and network-on-chip). Our analysis identifies specific operational regimes where SNNs genuinely offer superior energy efficiency. For example, under typical neuromorphic hardware conditions, SNNs with moderate time windows ($T \in [5,10]$) require an average spike rate ($s_r$) below 6.4\% to outperform equivalent QNNs. Furthermore, to illustrate the real-world implications of our findings, we analyze the operational lifetime of a typical smartwatch, showing that an optimized SNN can nearly double its battery life compared to a QNN. These insights guide the design of turely energy-efficient neural network solutions.
Authors: Anupreet Porwal, Abel Rodriguez
Abstract: This paper introduces Dirichlet process mixtures of block $g$ priors for model selection and prediction in linear models. These priors are extensions of traditional mixtures of $g$ priors that allow for differential shrinkage for various (data-selected) blocks of parameters while fully accounting for the predictors' correlation structure, providing a bridge between the literatures on model selection and continuous shrinkage priors. We show that Dirichlet process mixtures of block $g$ priors are consistent in various senses and, in particular, that they avoid the conditional Lindley ``paradox'' highlighted by Som et al. (2016). Further, we develop a Markov chain Monte Carlo algorithm for posterior inference that requires only minimal ad-hoc tuning. Finally, we investigate the empirical performance of the prior in various real and simulated datasets. In the presence of a small number of very large effects, Dirichlet process mixtures of block $g$ priors lead to higher power for detecting smaller but significant effects without only a minimal increase in the number of false discoveries.
Authors: Othmane Echchabi, Aya Lahlou, Nizar Talty, Josh Malcolm Manto, Tongshu Zheng, Ka Leung Lam
Abstract: Access to drinking water and sanitation services is essential for health and well-being, yet large global disparities persist. Sustainable Development Goal (SDG) 6 sets targets for universal access to these services, but progress toward these targets is hindered by existing monitoring systems that rely heavily on costly, infrequent, spatially uneven household surveys and censuses subject to substantial reporting delays. To address this gap, this study develops a scalable remote-sensing framework for estimating access to piped water and sewage systems at approximately 2.56 km spatial resolution. The framework combines Sentinel-2 imagery, Afrobarometer survey responses, 30 m population data, and Vision Transformer representations learned with DINO self-supervised learning. The best-performing model achieves held-out AUROC values of 91.54\% for piped water and 93.24\% for sewage system access across African survey locations. Applied to gridded inference across 50 African countries, the resulting population-weighted estimates closely track WHO/UNICEF JMP statistics for piped water access ($R^2=0.92$) and show meaningful agreement for sewage-related sanitation access ($R^2=0.72$). In countries without Afrobarometer survey coverage, the model achieves population-weighted MAEs of 9.5\% for piped water and 10.7\% for sewage system, with estimates falling within 15\% of JMP values for 121.4 million and 159.7 million people, respectively. A Nigeria application across 767 Local Government Areas (LGAs) shows how our framework's fine-scale predictions reveal subnational spatial inequality relevant to environmental justice.
Authors: Philipp Reiser, Paul-Christian B\"urkner, Anneli Guthke
Abstract: Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be computationally infeasible. During training, surrogate parameters are fitted such that the surrogate reproduces the simulation model's outputs as closely as possible. However, the simulation model itself is merely a simplification of the real-world system, often missing relevant processes or suffering from misspecifications e.g., in inputs or boundary conditions. Hints about these might be captured in real-world measurement data, and yet, we typically ignore those hints during surrogate building. In this paper, we propose two novel probabilistic approaches to integrate simulation data and real-world measurement data during surrogate training. The first method trains separate surrogate models for each data source and combines their predictive distributions, while the second incorporates both data sources by training a single surrogate. Both hybrid modeling approaches employ a novel weighting strategy for combining heterogeneous data sources during surrogate training, which operates independently of the chosen surrogate family. We show the conceptual differences and benefits of the two approaches through both synthetic and real-world case studies. The results demonstrate the potential of these methods to improve predictive accuracy, predictive coverage, and to diagnose problems in the underlying simulation model. These insights can improve system understanding and future model development.
Authors: Guilherme Dean Pelegrina, Patrick Kolpaczki, Eyke H\"ullermeier
Abstract: The Shapley value is the prevalent solution for fair division problems in which a payout is to be divided among multiple agents. By adopting a game-theoretic view, the idea of fair division and the Shapley value can also be used in machine learning to quantify the individual contribution of features or data points to the performance of a predictive model. Despite its popularity and axiomatic justification, the Shapley value suffers from a computational complexity that scales exponentially with the number of entities involved, and hence requires approximation methods for its reliable estimation. We propose SVA$k_{\text{ADD}}$, a novel approximation method that fits a $k$-additive surrogate game. By taking advantage of $k$-additivity, we are able to elicit the exact Shapley values of the surrogate game and then use these values as estimates for the original fair division problem. The efficacy of our method is evaluated empirically and compared to competing methods.
Authors: Qijie Xu, Can Wang, Jiawei Chen, Siwei Lyu, Defang Chen
Abstract: Recent advances in visual generative models have enabled the creation of highly realistic, fully AI-generated images without relying on real source content. While beneficial for many applications, these models also pose significant societal risks, as they can be easily exploited to produce convincing Deepfakes. Detecting them represents a foundational yet challenging problem in AI media forensics, requiring detectors to reliably extract the inherent artifacts imprinted by generative architectures. In this Review, we provide a systematic overview of fully AI-generated image detection. Following the standard detector design pipeline, we focus on two key components: dataset construction and artifact extraction. We analyze how dataset design influences the generalization and robustness of learned artifacts, and categorize existing artifact extraction methods based on the primary inductive priors leveraged to isolate artifacts. Within this framework, we systematically review existing works. Finally, we highlight open problems and envision several future directions for developing more robust and generalizable detectors. Reviewed works in this survey can be found at https://github.com/zju-pi/Awesome-Fully-AI-Generated-Image-Detection.
URLs: https://github.com/zju-pi/Awesome-Fully-AI-Generated-Image-Detection.
Authors: Jane H. Lee, Anay Mehrotra, Manolis Zampetakis
Abstract: Binary classification from positive-only samples is a variant of PAC learning where the learner receives i.i.d. positive samples and aims to learn a classifier with low error. Previous work by Natarajan, Gereb-Graus, and Shvaytser characterized learnability and revealed a largely negative picture: almost no interesting classes, including two-dimensional halfspaces, are learnable. This poses a challenge for applications from bioinformatics to ecology, where practitioners rely on heuristics. In this work, we initiate a smoothed analysis of positive-only learning. We assume samples from a reference distribution $D$ such that the true distribution $D^*$ is smooth with respect to it. In stark contrast to the worst-case setting, we show that all VC classes become learnable in the smoothed model, requiring $O(VC/\epsilon^2)$ positive samples for $\epsilon$ classification error. We also give an efficient algorithm for any class admitting $\mathrm{poly}(\epsilon)$-approximation by degree-$k$ polynomials whose range is lower-bounded by a constant with respect to $D$ in L1-norm. It runs in time $\mathrm{poly}(d^k/\epsilon)$, qualitatively matching L1-regression. Our results also imply faster or more general algorithms for: (1) estimation with unknown-truncation, giving the first polynomial-time algorithm for estimating exponential-family parameters from samples truncated to an unknown set approximable by non-negative polynomials in L1 norm, improving on [KTZ FOCS19; LMZ FOCS24], who required strong L2-approximation; (2) truncation detection for broad classes, including non-product distributions, improving on [DLNS STOC24]'s who required product distributions; and (3) learning from a list of reference distributions, where samples come from $O(1)$ distributions, one of which witnesses smoothness of $D^*$, as arises when list-decoding algorithms learn samplers for $D^*$ from corrupted data.
Authors: Shahriar Noroozizadeh, Jeremy C. Weiss
Abstract: Clinical case reports and discharge summaries may be the most complete and accurate summarization of patient encounters, yet they are finalized, i.e., timestamped after the encounter. Complementary structured data streams become available sooner but suffer from incompleteness. To train models and algorithms on more complete and temporally fine-grained data, we construct a pipeline to phenotype, extract, and annotate time-localized findings within case reports using large language models. We apply our pipeline to generate an open-access textual time series corpus for Sepsis-3 comprising 2,139 case reports from the PubMed-Open Access (PMOA) Subset. To validate our system, we apply it to PMOA and timeline annotations from i2b2/MIMIC-IV and compare the results to physician-expert annotations. We show high recovery rates of clinical findings (event match rates: GPT-5--0.93, Llama 3.3 70B Instruct--0.76) and strong temporal ordering (concordance: GPT-5--0.965, Llama 3.3 70B Instruct--0.908). Our work characterizes the ability of LLMs to time-localize clinical findings in text, illustrating the limitations of LLM use for temporal reconstruction and providing several potential avenues of improvement via multimodal integration.
Authors: Zehao Fan, Garrett Gagnon, Zhenyu Liu, Liu Liu
Abstract: Transformer-based models are the foundation of modern machine learning, but their execution, particularly during autoregressive decoding in large language models (LLMs), places significant pressure on memory systems due to frequent memory accesses and growing key-value (KV) caches. This creates a bottleneck in memory bandwidth, especially as context lengths increase. Processing-in-memory (PIM) architectures are a promising solution, offering high internal bandwidth and compute parallelism near memory. However, current PIM designs are primarily optimized for dense attention and struggle with the dynamic, irregular access patterns introduced by modern KV cache sparsity techniques. Consequently, they suffer from workload imbalance, reducing throughput and resource utilization. In this work, we propose STARC, a novel sparsity-optimized data mapping scheme tailored specifically for efficient LLM decoding on PIM architectures. STARC clusters KV pairs by semantic similarity and maps them to contiguous memory regions aligned with PIM bank structures. During decoding, queries retrieve relevant tokens at cluster granularity by matching against precomputed centroids, enabling selective attention and parallel processing without frequent reclustering or data movement overhead. Experiments on the HBM-PIM system show that, compared to common token-wise sparsity methods, STARC reduces attention-layer latency by 19%--31% and energy consumption by 19%--27%. Under a KV cache budget of 1024, it achieves up to 54%--74% latency reduction and 45%--67% energy reduction compared to full KV cache retrieval. Meanwhile, STARC maintains model accuracy comparable to state-of-the-art sparse attention methods, demonstrating its effectiveness in enabling efficient and hardware-friendly long-context LLM inference on PIM architectures.
Authors: Jin Du, Li Chen, Xun Xian, An Luo, Fangqiao Tian, Ganghua Wang, Charles Doss, Xiaotong Shen, Jie Ding
Abstract: Reliable causal inference is essential for making decisions in high-stakes areas like medicine, economics, and public policy. However, it remains unclear whether large language models (LLMs) can handle rigorous and trustworthy statistical causal inference. Current benchmarks usually involve simplified tasks. For example, these tasks might only ask LLMs to identify semantic causal relationships or draw conclusions directly from raw data. As a result, models may overlook important statistical pitfalls, such as Simpson's paradox or selection bias. This oversight limits the applicability of LLMs in the real world. To address these limitations, we propose CausalPitfalls, a comprehensive benchmark designed to rigorously evaluate the capability of LLMs in overcoming common causal inference pitfalls. Our benchmark features structured challenges across multiple difficulty levels, each paired with grading rubrics. This approach allows us to quantitatively measure both causal reasoning capabilities and the reliability of LLMs' responses. We evaluate models using two protocols: (1) direct prompting, which assesses intrinsic causal reasoning, and (2) code-assisted prompting, where models generate executable code for explicit statistical analysis. Additionally, we validate the effectiveness of this judge by comparing its scoring with assessments from human experts. Our results reveal significant limitations in current LLMs when performing statistical causal inference. The CausalPitfalls benchmark provides essential guidance and quantitative metrics to advance the development of trustworthy causal reasoning systems.
Authors: Siu Lun Chau, Michele Caprio, Krikamol Muandet
Abstract: Quantifying differences between probability distributions is fundamental to statistics and machine learning, primarily for comparing statistical uncertainty. In contrast, epistemic uncertainty -- due to incomplete knowledge -- requires richer representations than those offered by classical probability. Imprecise probability (IP) theory offers such models, capturing ambiguity and partial belief. This has driven growing interest in imprecise probabilistic machine learning (IPML), where inference and decision-making rely on broader uncertainty models -- highlighting the need for metrics beyond classical probability. This work introduces the integral imprecise probability metric framework, a Choquet integral-based generalisation of classical integral probability metrics to the setting of capacities -- a broad class of IP models encompassing many existing ones, including lower probabilities, probability intervals, belief functions, and more. Theoretically, we establish conditions under which IIPM serves as a valid metric and metrises a form of weak convergence of capacities. Practically, IIPM not only enables comparison across different IP models but also supports the quantification of epistemic uncertainty~(EU) within a single IP model. In particular, by comparing an IP model with its conjugate, IIPM gives rise to a new class of epistemic uncertainty measures -- Maximum Mean Imprecision -- which satisfy key axiomatic properties proposed in the uncertainty quantification literature. We validate MMI through selective classification experiments, demonstrating strong empirical performance against established EU measures, and outperforming them when classical methods struggle to scale to a large number of classes. Our work advances both theory and practice in Imprecise Probabilistic Machine Learning, offering a principled framework for comparing and quantifying epistemic uncertainty under imprecision.
Authors: Seokmin Ko, Ambuj Tewari, Kihyuk Hong
Abstract: We study offline constrained reinforcement learning with general function approximation in discounted constrained Markov decision processes. Prior methods either require full data coverage for evaluating intermediate policies, lack oracle efficiency, or requires the knowledge of data-generating distribution for policy extraction. We propose PDOCRL, an oracle-efficient primal-dual algorithm based on a decomposed linear-programming formulation that makes the policy an explicit optimization variable. This avoids policy extraction that requires the knowledge of data-generating distribution, and only uses standard policy-optimization, online linear-optimization, and linear-minimization oracles. We show that saddle-point formulations using general function approximation can have spurious saddle points even when an optimal solution is realizable, and identify a stronger realizability condition under which every restricted saddle point is optimal. Under this condition and partial coverage of an optimal policy, PDOCRL returns a near-optimal, near-feasible policy with a \(\widetilde{\mathcal O}(\epsilon^{-2})\) sample guarantee, without access to the data-generating distribution. Empirically, PDOCRL is competitive with strong baselines on standard offline constrained RL benchmarks.
Authors: Ka Long Keith Ho, Yoshinari Takeishi, Junichi Takeuchi
Abstract: Properties of Fisher information matrices of 2-layer neural ReLU networks with random hidden weights are studied. For these networks, it is known that the eigenvalue distribution highly concentrates on several eigenspaces approximately. In particular, the eigenvalues for the first three eigenspaces account for 97.7% of the trace of the Fisher information matrix, independently of the number of parameters. In this paper, we identify the function spaces which correspond to those major eigenspaces. This function space consists of the spherical harmonic functions whose orders are not greater than 2. This result relates to the Mercer decomposition of the neural tangent kernels.
Authors: Yahao Fan, Tianxiang Gui, Kaiyang Ji, Shutong Ding, Chixuan Zhang, Yifeng Xu, Ke Yang, Jiayuan Gu, Jingyi Yu, Jingya Wang, Ye Shi
Abstract: Achieving versatile humanoid locomotion with a single policy presents a critical scalability challenge. Prevailing methods often rely on distilling multiple terrain-specific teacher policies into a unified student policy. However, while such distillation captures basic locomotion primitives, it struggles to organically compose these skills to adapt to complex environments, resulting in poor generalization to novel composite terrains unseen during training. To overcome this, we present DreamPolicy, a unified framework that integrates offline data with a diffusion-based world model, enabling a single policy to master both known and unseen terrains. Central to our approach is a terrain-aware world model, driven by an autoregressive diffusion world model trained on aggregated rollouts from specialized policies. This model synthesizes physically plausible future trajectories, which serve as dynamic objectives for a conditioned policy, thereby bypassing manual reward engineering. Unlike distillation, our world model captures generalizable locomotion skills, allowing for robust zero-shot transfer to unseen composite terrains. DreamPolicy naturally scales with data availability. As the offline dataset expands, the diffusion world model continuously acquires richer skills. Experiments demonstrate that DreamPolicy outperforms the strongest baseline by up to 27\% on unseen terrains and 38\% on combined terrains. By unifying world model-based planning and policy learning, DreamPolicy breaks the "one task, one policy" bottleneck and establishes a scalable, data-driven paradigm for generalist humanoid control.
Authors: Zonghao Chen, Toni Karvonen, Heishiro Kanagawa, Fran\c{c}ois-Xavier Briol, Chris. J. Oates
Abstract: Approximation of a target probability distribution using a finite set of points is a problem of fundamental importance in numerical integration. Several authors have proposed to select points by minimising a maximum mean discrepancy (MMD), but the non-convexity of this objective typically precludes global minimisation. Instead, we consider the concept of \emph{stationary points of the MMD} which, in contrast to points globally minimising the MMD, can be accurately computed. Our main contributions are two-fold and theoretical in nature. We first prove the (perhaps surprising) result that, for integrands in the associated reproducing kernel Hilbert space, the numerical integration error of stationary MMD points vanishes \emph{faster} than the MMD. Motivated by this \emph{super-convergence} property, we consider MMD gradient flows as a practical strategy for computing stationary points of the MMD. We then prove that MMD gradient flow can indeed compute stationary MMD points, based on a refined convergence analysis that establishes a novel non-asymptotic finite-particle error bound.
Authors: Maxime Haddouche, Otmane Sakhi
Abstract: Off-policy learning enables training policies from logged interaction data. Most prior work considers the batch setting, where a policy is learned from data generated by a single behavior policy. In real systems, however, policies are updated and redeployed repeatedly, each time training on all previously collected data while generating new interactions for future updates. This sequential off-policy learning setting is common in practice but remains largely unexplored theoretically. In this work, we present and study a simple algorithm for sequential off-policy learning, combining Logarithmic Smoothing (LS) estimation with online PAC-Bayesian tools. We further show that a principled adjustment to LS improves performance and accelerates convergence under mild conditions. The algorithms introduced generalise previous work: they match state-of-the-art offline approaches in the batch case and substantially outperform them when policies are updated sequentially. Empirical evaluations highlight both the benefits of the sequential framework and the strength of the proposed algorithms.
Authors: Guillaume Coqueret, Martial Laguerre
Abstract: This paper investigates the impact of posterior drift on out-of-sample forecasting accuracy in overparametrized machine learning models. We document the loss in performance when the loadings of the data generating process change between the training and testing samples. This matters crucially in settings in which regime changes are likely to occur, for instance, in financial markets. Applied to equity premium forecasting, our results underline the sensitivity of a market timing strategy to sub-periods and to the bandwidth parameters that control the complexity of the model. For the average investor, we find that focusing on holding periods of 15 years can generate very heterogeneous returns, especially for small bandwidths. Large bandwidths yield much more consistent outcomes, but are far less appealing from a risk-adjusted return standpoint. All in all, our findings tend to recommend cautiousness when resorting to large linear models for stock market predictions.
Authors: Zhihao Peng, Liuxin Bao, Yixuan Yuan
Abstract: Large language models (LLMs) have proven effective in artificial intelligence, where the multi-agent system (MAS) holds considerable promise for healthcare development by achieving the collaboration of LLMs. However, the absence of a systematic pipeline for agent construction and the rigidity of static collaboration patterns render current MAS-based models vulnerable to collaboration failures, resulting in substantial performance degradation in medical decision-making scenarios. To this end, we propose a novel Masked Agent Collaboration (MAC) framework that harnesses Pareto-optimal agent construction and cross-consistency maximization mechanisms to achieve adaptive progressive propagation of collaborative information, boosting the medical decision-making capacity. Specifically, we first conduct a Pareto-frontier factors analysis towards the LLMs pool to consider their key factors, including the model size, inference time, diversity score, and throughput ratio, where we calculate the similarity between pairwise outputs within an LLM to derive its diversity score. Beyond this analysis, we enable the identification of Pareto-optimal models that balance efficiency and capability, which are subsequently selected as collaborative agents to consider the fundamental trade-offs inherent in practical LLM deployment. Afterward, we measure the pairwise similarity between the outputs from collaborative agents to determine their cross-consistency values, subsequently masking out the agent with the lowest cross-consistency value to eliminate the output that is likely semantically inconsistent. Finally, we conduct collaboration of agents by achieving adaptive progressive propagation, where each agent aggregates the outputs of unmasked agents from the previous layer as its input to generate the corresponding output via prompt engineering.
Authors: Dong Zhao, Yadong Wang, Xiang Chen, Chenxi Wang, Hongliang Dai, Chuanxing Geng, Shengzhong Zhang, Shaoyuan Li, Sheng-Jun Huang
Abstract: Large Language Models (LLMs) show remarkable potential for few-shot information extraction (IE), yet their performance is highly sensitive to the choice of in-context examples. Conventional selection strategies often fail to provide informative guidance, as they overlook a key source of model fallibility: confusion stemming not just from semantic content, but also from the generation of well-structured formats required by IE tasks. To address this, we introduce Active Prompting for Information Extraction (APIE), a novel active prompting framework guided by a principle we term introspective confusion. Our method empowers an LLM to assess its own confusion through a dual-component uncertainty metric that uniquely quantifies both Format Uncertainty (difficulty in generating correct syntax) and Content Uncertainty (inconsistency in extracted semantics). By ranking unlabeled data with this comprehensive score, our framework actively selects the most challenging and informative samples to serve as few-shot exemplars. Extensive experiments on four benchmarks show that our approach consistently outperforms strong baselines, yielding significant improvements in both extraction accuracy and robustness. Our work highlights the critical importance of a fine-grained, dual-level view of model uncertainty when it comes to building effective and reliable structured generation systems.
Authors: \v{S}imon Kucharsk\'y, Aayush Mishra, Daniel Habermann, Stefan T. Radev, Paul-Christian B\"urkner
Abstract: Amortized Bayesian model comparison (BMC) enables fast probabilistic ranking of models via simulation-based training of neural surrogates. However, the accuracy of neural surrogates deteriorates when simulation models are misspecified; the very case where model comparison is most needed. We evaluate four different amortized BMC methods. We supplement traditional simulation-based training of these methods with a \emph{self-consistency} (SC) loss on unlabeled real data to improve BMC estimates under distribution shifts. Using one artificial and two real-world case studies, we compare amortized BMC estimators with and without SC against analytic or bridge sampling benchmarks. In the \emph{closed-world} case (data is generated by one of the candidate models), BMC estimators using classifiers work acceptably well even without SC training. However, these methods also benefit the least from SC training. In the \emph{open-world} scenario (all models misspecified), SC training strongly improves BMC estimators when having access to analytic likelihoods, or when surrogate likelihoods are locally accurate near the true parameter posterior, even for severely misspecified models. We conclude with practical recommendations for amortized BMC and suggestions for future research.
Authors: David Hirnschall
Abstract: We present a novel deep generative semi-supervised framework for credit card fraud detection, formulated as time series classification task. As financial transaction data streams grow in scale and complexity, traditional methods often require large labeled datasets, struggle with time series of irregular sampling frequencies and varying sequence lengths. To address these challenges, we extend conditional Generative Adversarial Networks (GANs) for targeted data augmentation, integrate Bayesian inference to obtain predictive distributions and quantify uncertainty, and leverage log-signatures for robust feature encoding of transaction histories. We introduce a novel Wasserstein distance-based loss to align generated and real unlabeled samples while simultaneously maximizing classification accuracy on labeled data. Our approach is evaluated on the BankSim dataset, a widely used simulator for credit card transaction data, under varying proportions of labeled samples, demonstrating consistent improvements over benchmarks in both global statistical and domain-specific metrics. These findings highlight the effectiveness of GAN-driven semi-supervised learning with log-signatures for irregularly sampled time series and emphasize the importance of uncertainty-aware predictions.
Authors: Tanujit Chakraborty, Donia Besher, Madhurima Panja, Shovon Sengupta
Abstract: Accurate forecasting of exchange rates remains a persistent challenge, particularly for emerging economies such as Brazil, Russia, India, and China (BRIC). These series exhibit long memory and nonlinearity that conventional time series models struggle to capture. Exchange rate dynamics are further influenced by several key drivers, including global economic policy uncertainty, US equity market volatility, US monetary policy uncertainty, oil price growth rates, and short-term interest rates. These empirical complexities underscore the need for a flexible framework that can jointly accommodate long memory, nonlinearity, and the influence of external drivers. We propose a Neural AutoRegressive Fractionally Integrated Moving Average (NARFIMA) model that combines the long memory structure of ARFIMA with the nonlinear learning capability of neural networks while incorporating exogenous variables. We establish asymptotic stationarity of NARFIMA and quantify forecast uncertainty using conformal prediction intervals. Empirical results show that NARFIMA consistently outperforms benchmark methods in forecasting BRIC exchange rates.
Authors: Ian Taylor, Juliane Mueller, Julie Bessac
Abstract: As data collection and simulation capabilities advance, multi-modal learning, the task of learning from multiple modalities and sources of data, is becoming an increasingly important area of research. Surrogate models that learn from data of multiple auxiliary modalities to support the modeling of a highly expensive quantity of interest have the potential to aid outer loop applications such as optimization, inverse problems, or sensitivity analyses when multi-modal data are available. We develop two multi-modal Bayesian neural network surrogate models and leverage conditionally conjugate distributions in the last layer to estimate model parameters using stochastic variational inference (SVI). We provide a method to perform this conjugate SVI estimation in the presence of partially missing observations. We demonstrate improved prediction accuracy and uncertainty quantification compared to uni-modal surrogate models for both scalar and time series data.
Authors: Kevin Xu, Issei Sato
Abstract: Chain of thought (CoT) elicits reasoning in large language models by explicitly generating intermediate tokens. In contrast, latent thought reasoning operates directly in the continuous latent space, enabling computation beyond discrete linguistic representations. While both approaches exploit iterative computation, their comparative capabilities remain underexplored. In this work, we present a formal analysis showing that latent thought admits more efficient parallel computation than inherently sequential CoT. In contrast, CoT enables approximate counting and sampling through stochastic decoding. These separations suggest the tasks for which depth-driven recursion is more suitable, thereby offering practical guidance for choosing between reasoning paradigms.
Authors: Sahil Bhandary Karnoor, Romit Roy Choudhury
Abstract: Pose estimation refers to tracking a human's full body posture, including their head, torso, arms, and legs. The problem is challenging in practical settings where the number of body sensors are limited. Past work has shown promising results using conditional diffusion models, where the pose prediction is conditioned on both
Authors: Zhongkai Yu, Yue Guan, Zihao Yu, Chenyang Zhou, Zhengding Hu, Shuyi Pei, Yangwook Kang, Yufei Ding, Po-An Tsai
Abstract: Large-scale Mixture of Experts (MoE) Large Language Models (LLMs) have recently become the frontier open-weight models, achieving remarkable model capability similar to proprietary ones. But their random expert selection mechanism introduces significant data movement overhead that becomes the dominant bottleneck in multi-unit LLM serving systems. To understand the patterns underlying this data movement, we conduct comprehensive data-movement-centric profiling across four state-of-the-art large-scale MoE models released in 2025 (200B-1000B) using over 24,000 requests spanning diverse workloads. We perform systematic analysis from both temporal and spatial perspectives and distill six key insights to guide the design of diverse serving systems. We verify these insights on both future wafer-scale GPU architectures and existing GPU systems. On wafer-scale GPUs, lightweight architectural modifications guided by our insights yield a 6.6$\times$ average speedup across four 200B--1000B models. On existing GPU systems, our insights drive the design of a prefill-aware expert placement algorithm that achieves up to 1.25$\times$ speedup on MoE computation. Our work presents the first comprehensive data-centric analysis of large-scale MoE models together with a concrete design study applying the learned lessons. Our profiling traces are publicly available at \href{https://huggingface.co/datasets/core12345/MoE_expert_selection_trace}{\textcolor{blue}{https://huggingface.co/datasets/core12345/MoE\_expert\_selection\_trace}}.
URLs: https://huggingface.co/datasets/core12345/MoE_expert_selection_trace, https://huggingface.co/datasets/core12345/MoE\_expert\_selection\_trace
Authors: Junki Mori, Kazuya Kakizaki, Taiki Miyagawa, Jun Sakuma
Abstract: Retrieval-Augmented Generation (RAG) enhances large language models (LLMs) by grounding them in external knowledge. However, its application in sensitive domains is limited by privacy risks. Existing private RAG methods typically rely on query-time differential privacy (DP), which requires repeated noise injection and leads to accumulated privacy loss. To address this issue, we propose DP-SynRAG, a framework that uses LLMs to generate differentially private synthetic RAG databases. Unlike prior methods, the synthetic text can be reused once created, thereby avoiding repeated noise injection and additional privacy costs. To preserve essential information for downstream RAG tasks, DP-SynRAG extends private prediction, which instructs LLMs to generate text that mimics subsampled database records in a DP manner. Experiments show that DP-SynRAG achieves superior performance to the state-of-the-art private RAG systems while maintaining a fixed privacy budget, offering a scalable solution for privacy-preserving RAG.
Authors: Oliver J. Hines, Caleb H. Miles
Abstract: The ratio of two probability density functions is a fundamental quantity that appears in many areas of statistics and machine learning, including causal inference, reinforcement learning, covariate shift, outlier detection, independence testing, importance sampling, and diffusion modeling. Naively estimating the numerator and denominator densities separately using, e.g., kernel density estimators, can lead to unstable performance and suffer from the curse of dimensionality as the number of covariates increases. For this reason, several methods have been developed for estimating the density ratio directly based on (a) Bregman divergences or (b) recasting the density ratio as the odds in a probabilistic classification model that predicts whether an observation is sampled from the numerator or denominator distribution. Additionally, the density ratio can be viewed as the Riesz representer of a continuous linear map, making it amenable to estimation via (c) minimization of the so-called Riesz loss, which was developed to learn the Riesz representer in the Riesz regression procedure in causal inference. In this paper we show that all three of these methods can be unified in a common framework, which we call Bregman--Riesz regression. We further show how data augmentation techniques can be used to apply density ratio learning methods to causal problems, where the numerator distribution typically represents an unobserved intervention. We show through simulations how the choice of Bregman divergence and data augmentation strategy can affect the performance of the resulting density ratio learner. A Python package is provided for researchers to apply Bregman--Riesz regression in practice using gradient boosting, neural networks, and kernel methods.
Authors: Yingyao Zhou, Natasha Devroye, Onur G\"unl\"u
Abstract: We consider reversely-degraded secure-communication channels, for which the secrecy capacity is zero if there is no channel feedback. Specifically, we focus on a seeded modular code design for the block-fading Gaussian wiretap channel with channel-output feedback, combining universal hash functions for security and learned feedback-based codes for reliability. The trade-off between communication reliability and information leakage is studied, illustrating that feedback enables agreeing on a secret key shared between legitimate parties, overcoming the security advantage of the eavesdropper. Our findings motivate code designs for sensing-assisted secure communications in the context of integrated sensing and communication (ISAC).
Authors: Yixin Fang, Weili He
Abstract: Matching-adjusted indirect comparison (MAIC) has been increasingly employed in health technology assessments (HTA). By reweighting subjects from a trial with individual participant data (IPD) to match the covariate summary statistics of another trial with only aggregate data (AgD), MAIC facilitates the estimation of a treatment effect defined with respect to the AgD trial population. This manuscript introduces a new class of methods, termed arbitrated indirect treatment comparisons, designed to address the ``MAIC paradox'' -- a phenomenon highlighted by Jiang et al.~(2025). The MAIC paradox arises when different sponsors, analyzing the same data, reach conflicting conclusions regarding which treatment is more effective. The underlying issue is that each sponsor implicitly targets a different population. To resolve this inconsistency, the proposed methods focus on estimating treatment effects in a common target population, specifically chosen to be the overlap population.
Authors: Xiaohao Liu, Xiaobo Xia, Jiaheng Wei, Shuo Yang, Xiu Su, See-Kiong Ng, Tat-Seng Chua
Abstract: Multimodal representation learning harmonizes distinct modalities by aligning them into a unified latent space. Recent research generalizes traditional cross-modal alignment to produce enhanced multimodal synergy but requires all modalities to be present for a common instance, making it challenging to utilize prevalent datasets with missing modalities. We provide theoretical insights into this issue from an anchor shift perspective. Observed modalities are aligned with a local anchor that deviates from the optimal one when all modalities are present, resulting in an inevitable shift. To address this, we propose CalMRL to calibrate incomplete alignments caused by missing modalities. CalMRL leverages the priors and the inherent connections among modalities to model the imputation for the missing ones at the representation level. To resolve the optimization dilemma, we employ a bi-step learning method with the closed-form solution of the posterior distribution of shared latents. We validate its mitigation of anchor shift and convergence with theoretical guidance. By equipping the calibrated alignment with the existing advanced method, we offer new flexibility to absorb data with missing modalities, which is originally unattainable. Extensive experiments demonstrate the superiority of CalMRL. The code is released at https://github.com/Xiaohao-Liu/CalMRL.
Authors: Shuvro Chowdhury, Jasper Pieterse, Navid Anjum Aadit, Shaila Niazi, Johan H. Mentink, Kerem Y. Camsari
Abstract: Neural quantum states efficiently represent many-body wavefunctions with neural networks, but the cost of Monte Carlo sampling limits their scaling to large system sizes. Here we address this challenge by combining sparse Boltzmann machine architectures with probabilistic computing hardware. We implement a probabilistic computer on field-programmable gate arrays (FPGAs) and use it as a fast sampler for energy-based neural quantum states. For the two-dimensional transverse-field Ising model at criticality, we obtain accurate ground-state energies for lattices up to 80$\times$80 (6400 spins) using a custom multi-FPGA cluster. Furthermore, we introduce a dual-sampling algorithm to train deep Boltzmann machines, replacing intractable marginalization with conditional sampling over auxiliary layers. This enables the training of sparse deep models and improves parameter efficiency relative to shallow networks. We further implement this algorithm on a single FPGA, demonstrating the training of deep Boltzmann machines for systems as large as $30 \times 30$ (900 spins). Together, these results demonstrate that probabilistic hardware can overcome the sampling bottleneck in variational simulation of quantum many-body systems, opening a path to larger system sizes and deeper variational architectures.
Authors: Nam Phuong Tran, Andi Nika, Goran Radanovic, Long Tran-Thanh, Debmalya Mandal
Abstract: We investigate robustness to strong data corruption in offline sparse reinforcement learning (RL). In our setting, an adversary may arbitrarily perturb a fraction of the collected trajectories from a high-dimensional but sparse Markov decision process, and our goal is to estimate a near optimal policy. The main challenge is that, in the high-dimensional regime where the number of samples $N$ is smaller than the feature dimension $d$, exploiting sparsity is essential for obtaining non-vacuous guarantees but has not been systematically studied in offline RL. We analyse the problem under uniform coverage and sparse single-concentrability assumptions. While Least Square Value Iteration (LSVI), a standard approach for robust offline RL, performs well under uniform coverage, we show that integrating sparsity into LSVI is unnatural, and its analysis may break down due to overly pessimistic bonuses. To overcome this, we propose actor-critic methods with sparse robust estimator oracles, which avoid the use of pointwise pessimistic bonuses and provide the first non-vacuous guarantees for sparse offline RL under single-policy concentrability coverage. Moreover, we extend our results to the contaminated setting and show that our algorithm remains robust under strong contamination. Our results provide the first non-vacuous guarantees in high-dimensional sparse MDPs with single-policy concentrability coverage and corruption, showing that learning a near-optimal policy remains possible in regimes where traditional robust offline RL techniques may fail.
Authors: Yohan Park, Hyunwoo Ha, Wonjun Jo, Tae-Hyun Oh
Abstract: Vision Language Models (VLMs) are increasingly adopted as central reasoning modules for embodied agents. Existing benchmarks evaluate their capabilities under ideal, well-lit conditions, yet robust 24/7 operation demands performance under a wide range of visual degradations, including low-light conditions at night or in dark environments, a core necessity that has been largely overlooked. To address this underexplored challenge, we present DarkQA, an open-source benchmark for evaluating perceptual primitives under multi-level low-light conditions in embodied scenarios. DarkQA evaluates single-view egocentric observations across controlled degradation levels, isolating low-light perceptual failures before they are entangled with complex embodied tasks. The benchmark contains 9.4K deterministically generated and verifiable question-image pairs spanning five visual-primitive families. A key design feature of DarkQA is its physical fidelity: visual degradations are modeled in linear RAW space, simulating physics-based illumination drop and sensor noise followed by an ISP-inspired rendering pipeline; we further validate the synthesis against real paired low-light camera data. We evaluate representative VLMs and Low-Light Image Enhancement (LLIE) preprocessing methods. Results show consistent VLM degradation under low illumination and sensor noise, while LLIE provides severity-dependent but unstable recovery. We demonstrate the utility of DarkQA by evaluating a wide range of state-of-the-art VLMs and Low-Light Image Enhancement (LLIE) models, and systematically reveal VLMs' limitations when operating under these challenging visual conditions. Our code and benchmark dataset will be released upon acceptance. Project website: https://darkqa-benchmark.github.io
Authors: Hongyang Du, Junjie Ye, Xiaoyan Cong, Runhao Li, Jingcheng Ni, Aman Agarwal, Zeqi Zhou, Zekun Li, Randall Balestriero, Yue Wang
Abstract: While recent video diffusion models (VDMs) produce visually impressive results, they fundamentally struggle to maintain 3D structural consistency, often resulting in object deformation or spatial drift. We hypothesize that these failures arise because standard denoising objectives lack explicit incentives for geometric coherence. To address this, we introduce VideoGPA (Video Geometric Preference Alignment), a data-efficient self-supervised framework that leverages a geometry foundation model to automatically derive dense preference signals that guide VDMs via Direct Preference Optimization (DPO). This approach effectively steers the generative distribution toward inherent 3D consistency without requiring human annotations. VideoGPA significantly enhances temporal stability, geometric plausibility, and motion coherence using minimal preference pairs, consistently outperforming state-of-the-art baselines in extensive experiments.
Authors: Christoffer Koo {\O}hrstr{\o}m, Rafael I. Cabral Muchacho, Yifei Dong, Filippos Moumtzidellis, Ronja G\"uldenring, Florian T. Pokorny, Lazaros Nalpantidis
Abstract: We propose Parabolic Position Encoding (PaPE), a parabola-based position encoding for vision modalities in attention-based architectures. Given a set of vision tokens-such as from videos, event camera streams, images, or point clouds-our objective is to encode their positions while accounting for the characteristics of vision modalities. Prior works have largely extended position encodings from 1D-sequences in language to nD-structures in vision, but only with partial account of vision characteristics. We address this gap by designing PaPE from principles distilled from prior work: translation invariance, rotation invariance (PaPE-RI), distance decay, directionality, and context awareness. Extrapolation experiments on ImageNet-1K show how PaPE extrapolates remarkably well, improving in absolute terms by up to 10.5\% over the next-best encoding. Generality experiments on 8 datasets across 4 modalities show that PaPE is a general vision position encoding, as PaPE matches the best baseline on 5 datasets and exceeds all on 2 datasets. Code is available at https://github.com/DTU-PAS/parabolic-position-encoding.
URLs: https://github.com/DTU-PAS/parabolic-position-encoding.
Authors: Zeming Wei, Zhixin Zhang, Chengcan Wu, Yihao Zhang, Xiaokun Luan, Meng Sun
Abstract: Large Language Models (LLMs) face severe safety risks from jailbreak attacks, yet current safety testing largely relies on static datasets and lacks systematic criteria to evaluate test suite quality and adequacy. While coverage criteria have proven effective for smaller neural networks, they are impractical for LLMs due to computational overhead and the entanglement of safety-critical signals with irrelevant neuron activations. To address these issues, we propose RACC (Representation-Aware Coverage Criteria), a set of coverage criteria specialized for LLM safety testing. RACC first extracts safety representations from the LLM's hidden states using a small calibration set of harmful prompts, then measures test prompts' concept activations against these directions, and finally computes coverage through six criteria assessing both individual and compositional safety concept coverage. Experiments on multiple LLMs and safety benchmarks show that RACC reliably rewards high-quality jailbreak test suites while remaining insensitive to redundant or invalid inputs, which is a key distinction that neuron-level criteria fail to make. We further demonstrate RACC's practical value in two applications, including test suite prioritization and attack prompt sampling, and validate its generalization across diverse settings and configurations. Overall, RACC provides a scalable and principled foundation for coverage-guided LLM safety testing.
Authors: Tung Quoc Le, Anh Tuan Nguyen, Viet Anh Nguyen
Abstract: Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.
Authors: Yuxin Wang, Dennis Frauen, Emil Javurek, Konstantin Hess, Yuchen Ma, Stefan Feuerriegel
Abstract: The synthetic control method (SCM) estimates causal effects in panel data with a single-treated unit by constructing a counterfactual outcome as a weighted combination of untreated control units that matches the pre-treatment trajectory. In this paper, we introduce the targeted synthetic control (TSC) method, a new two-stage estimator that directly estimates the counterfactual outcome. Specifically, our TSC method (1) yields a targeted debiasing estimator, in the sense that the targeted updating refines the initial weights to produce more stable weights; and (2) ensures that the final counterfactual estimation is a convex combination of observed control outcomes to enable direct interpretation of the synthetic control weights. TSC is flexible and can be instantiated with arbitrary machine learning models. Methodologically, TSC starts from an initial set of synthetic-control weights via a one-dimensional targeted update through the weight-tilting submodel, which calibrates the weights to reduce bias of weights estimation arising from pre-treatment fit. Furthermore, TSC avoids key shortcomings of existing methods (e.g., the augmented SCM), which can produce unbounded counterfactual estimates. Across extensive synthetic and real-world experiments, TSC consistently improves estimation accuracy over state-of-the-art SCM baselines.
Authors: Shengpu Wang, Yuhao Mao, Yani Zhang, Martin Vechev
Abstract: Floating-point neural networks dominate modern machine learning but incur substantial inference costs, motivating emerging interest in Boolean networks for resource-constrained deployments. Since Boolean networks use only Boolean operations, they can achieve nanosecond-scale inference latency. However, learning Boolean networks that are both compact and accurate remains challenging because of their discrete, combinatorial structure. In this work we address this challenge via three novel, complementary contributions: (i) a new parameter-free strategy for learning effective connections, (ii) a novel compact convolutional Boolean architecture that exploits spatial locality while requiring fewer Boolean operations than existing convolutional kernels, and (iii) an adaptive discretization procedure that reduces the accuracy drop incurred when converting a continuously relaxed network into a discrete Boolean network. Across standard vision benchmarks, our method improves the Pareto frontier over prior state-of-the-art methods, achieving higher accuracy with up to $47\times$ fewer Boolean operations. This advantage also extends to other modalities. Further, on an FPGA, our model on MNIST achieves 99.38\% accuracy with 6.48 ns latency, surpassing the prior state-of-the-art in both accuracy and runtime, while generating a $7\times$ smaller circuit. Code and models are available at https://github.com/eth-sri/CompactLogic.
Authors: Daisuke Oba, Danushka Bollegala, Masahiro Kaneko, Naoaki Okazaki
Abstract: Masked Diffusion Language Models generate sequences via iterative sampling that progressively unmasks tokens. However, they still recompute the attention and feed-forward blocks for every token position at every step -- even when many unmasked tokens are essentially fixed, resulting in substantial waste in compute. We propose SureLock: when the posterior at an unmasked position has stabilized across steps (our sure condition), we lock that position -- thereafter skipping its query projection and feed-forward sublayers -- while caching its attention keys and values so other positions can continue to attend to it. This reduces the dominant per-iteration computational cost from $O(N^2d)$ to $O(MNd)$ where $N$ is the sequence length, $M$ is the number of unlocked token positions, and $d$ is the model dimension. In practice, $M$ decreases as the iteration progresses, yielding substantial savings. On LLaDA-8B, SureLock reduces algorithmic FLOPs by 30--50% relative to the same sampler without locking, while maintaining comparable generation quality. We also provide a theoretical analysis to justify the design rationale of SureLock: monitoring only the local KL at the lock step suffices to bound the deviation in final token probabilities. Our project page is available at https://daioba.github.io/surelock .
Authors: Daisuke Oba, Hiroki Furuta, Naoaki Okazaki
Abstract: Masked diffusion language models generate text through iterative masked-token filling, but terminal-only rewards on final completions provide coarse credit assignment for the intermediate filling decisions that shape the generation process. We propose Diffusion-State Policy Optimization (DiSPO), a plug-in credit-assignment layer that directly optimizes intermediate filling decisions. At selected intermediate masked states, DiSPO branches by resampling the currently masked positions from rollout-cached logits, scores the resulting completions, and updates only the newly filled tokens, requiring no additional multi-step diffusion rollouts or optimizer steps. We formalize a fixed-state objective for branched completions and derive a policy-gradient estimator that reuses the same rollouts as terminal-feedback policy optimization. Experiments on LLaDA-8B-Instruct show that DiSPO consistently improves terminal-feedback baselines, including diffu-GRPO and SPG, on math and planning benchmarks under matched rollout compute and optimizer steps, supporting its use as a general plug-in for masked diffusion policy optimization. Our project page is available at https://daioba.github.io/dispo .
Authors: Ross Greer, Laura Fleig, Maitrayee Keskar, Erika Maquiling, Giovanni Tapia Lopez, Angel Martinez-Sanchez, Parthib Roy, Jake Rattigan, Mira Sur, Alejandra Vidrio, Thomas Marcotte, Mohan Trivedi
Abstract: The looking-in-looking-out (LILO) framework has enabled intelligent vehicle applications that understand both the outside scene and the driver state to improve safety outcomes, with examples in smart airbag deployment, takeover time prediction in autonomous control transitions, and driver attention monitoring. In this research, we propose an augmentation to this framework, making a case for the audio modality as an additional source of information to understand the driver, and in the evolving autonomy landscape, also the passengers and those outside the vehicle. We expand LILO by incorporating audio signals, forming the looking-and-listening inside-and-outside (L-LIO) framework to enhance driver state assessment and environment understanding through multimodal sensor fusion. We evaluate three example cases where audio enhances vehicle safety: supervised learning on driver speech audio to classify potential impairment states (e.g., intoxication), collection and analysis of passenger natural language instructions (e.g., "turn after that red building") to motivate how spoken language can interface with planning systems through audio-aligned instruction data, and limitations of vision-only systems where audio may disambiguate the guidance and gestures of external agents. Datasets include custom-collected in-vehicle and external audio samples in real-world environments. Pilot findings show that audio yields safety-relevant insights, particularly in nuanced or context-rich scenarios where sound is critical to safe decision-making or visual signals alone are insufficient. Challenges include ambient noise interference, privacy considerations, and robustness across human subjects, motivating further work on reliability in dynamic real-world contexts. L-LIO augments driver and scene understanding through multimodal fusion of audio and visual sensing, offering new paths for safety intervention.
Authors: Borjan Geshkovski, Dom\`enec Ruiz-Balet
Abstract: Motivated by applications in conditional sampling, given a probability measure $\mu$ and a diffeomorphism $\phi$, we consider the problem of simultaneously approximating $\phi$ and the pushforward $\phi_{\#}\mu$ by means of the flow of a continuity equation whose velocity field is a perceptron neural network with piecewise constant weights. We provide an explicit construction based on a polar-like decomposition of the Lagrange interpolant of $\phi$. The latter involves a compressible component, given by the gradient of a particular convex function, which can be realized exactly, and an incompressible component, which -- after approximating via permutations -- can be implemented through shear flows intrinsic to the continuity equation. For more regular maps $\phi$ -- such as the Kn\"othe-Rosenblatt rearrangement -- we provide an alternative, probabilistic construction inspired by the Maurey empirical method, in which the number of discontinuities in the weights doesn't scale inversely with the ambient dimension.
Authors: Liang Mi, Weijun Wang, Jinghan Chen, Ting Cao, Haipeng Dai, Yunxin Liu
Abstract: Remote KV cache reuse fetches KV cache for identical contexts from remote storage, avoiding recomputation, accelerating LLM inference. While it excels in high-speed networks, its performance degrades significantly in bandwidth-limited scenarios. Recent studies address this by transmitting KV caches in compressed form, but the associated heavyweight decompression counteracts the KV reuse benefits. In this paper, we propose an efficient and widely deployable remote KV cache reuse solution that leverages GPU-native video codecs. Our system, KVCodec, enables effective KV cache coding with two techniques. The codec-friendly tensor layout compresses the KV cache in a highly compact video format, enabling fast transmission. The efficient KV fetcher orchestrates the transmission, decoding, and restoration of compressed KV caches in an efficient pipelined manner, eliminating resource contention, masking network fluctuations, and achieving minimum time-to-first-token (TTFT). We prototype KVCodec on diverse GPUs from high- to low-end. Experiments reveal that it reduces TTFT by up to 3.51 times while maintaining lossless accuracy, compared to SOTA methods.
Authors: Meet Gandhi, George P. Kontoudis
Abstract: Gaussian Processes (GPs) are a powerful tool for probabilistic modeling, but their performance is often constrained in complex, large-scale real-world domains due to the limited expressivity of classical kernels. Quantum computing offers the potential to overcome this limitation by embedding data into exponentially large Hilbert spaces, capturing complex correlations that remain inaccessible to classical computing approaches. In this paper, we propose a Distributed Quantum Gaussian Process (DQGP) method in a multi-agent setting to enhance modeling capabilities and scalability. To address the challenging non-Euclidean optimization problem, we develop a Distributed consensus Riemannian Alternating Direction Method of Multipliers (DR-ADMM) algorithm that aggregates local agent models into a global model. We evaluate the efficacy of our method through numerical experiments conducted on a quantum simulator in classical hardware. We use real-world, non-stationary elevation datasets of NASA's Shuttle Radar Topography Mission and synthetic datasets generated by Quantum Gaussian Processes. Beyond modeling advantages, our framework highlights potential computational speedups that quantum hardware may provide, particularly in Gaussian processes and distributed optimization.
Authors: Hayato Kunugi, Mohsen Rahmani, Yosuke Iyama, Yutaro Hirono, Akira Suma, Matthew Woolway, Vladimir Vargas-Calder\'on, William Kim, Kevin Chern, Mohammad Amin, Masaru Tateno
Abstract: Deep generative modeling to stochastically design small molecules is an emerging technology for accelerating drug discovery and development. However, one major issue in molecular generative models is their lower frequency of drug-like compounds. To resolve this problem, we developed a novel framework for optimization of deep generative models integrated with a D-Wave quantum annealing computer, where our Neural Hash Function (NHF) presented herein is used both as the regularization and binarization schemes simultaneously, of which the latter is for transformation between continuous and discrete signals of the classical and quantum neural networks, respectively, in the error evaluation (i.e., objective) function. The compounds generated via the quantum-annealing generative models exhibited higher quality in both validity and drug-likeness than those generated via the fully-classical models, and was further indicated to exceed even the training data in terms of drug-likeness features, without any restraints and conditions to deliberately induce such an optimization. These results indicated an advantage of quantum annealing to aim at a stochastic generator integrated with our novel neural network architectures, for the extended performance of feature space sampling and extraction of characteristic features in drug design.
Authors: Jianan Zhao, Xixian Liu, Zhihao Zhan, Xinyu Yuan, Hongyu Guo, Jian Tang
Abstract: Long-context DNA models are limited by token-mixing cost and by how compression allocates representational budget across the genome. Existing approaches operate close to base-pair resolution, apply fixed downsampling, or learn content-dependent chunks without an explicit genomic budget, making long-context pretraining expensive and difficult to control. We introduce GeneZip, a region-aware DNA compression framework that combines H-Net-style dynamic routing with a Region-Aware Ratio (RAR) objective and bounded routing. GeneZip uses static gene-structure annotations during compression training to specify region-wise base-pairs-per-token (BPT) targets; at inference time, it compresses raw unseen DNA without annotations. GeneZip provides three main benefits. First, it is effective: GeneZip variants achieve the best validation PPL among encoder-based compressors, with GeneZip-70M operating at 137.6 BPT, and across four reproducible DNALongBench tasks--contact map prediction, eQTL prediction, enhancer-target gene prediction, and transcription-initiation signal prediction--GeneZip obtains the best average rank among compared sequence models. Second, it is redundancy-aware: a post-hoc RepeatMasker/TRF analysis shows that, without repeat supervision, GeneZip assigns higher local BPT to TE-derived interspersed repeats and tandem repeats, two major classes of repetitive DNA sequence redundancy. Third, it is efficient: by reducing the effective token-mixing length, GeneZip enables longer-context and larger-capacity pretraining, including 128K-context and 636M-parameter variants on a single A100 80GB GPU, and fine-tunes the eQTL task 50.4x faster than JanusDNA (50 vs. 2520 minutes). These results establish GeneZip as an effective, redundancy-aware, and efficient compression interface for long-context DNA modeling.
Authors: Aman Sharma, Paras Chopra
Abstract: Large language models achieve near-ceiling performance on code generation benchmarks, yet most of the programming languages used by popular benchmarks such as SWE-bench and HumanEval (e.g. Python, JavaScript) are squarely in-distribution. They appear at scale in pre-training corpora and are heavily reinforced during post-training. To study LLM performance on unfamiliar programming languages, we introduce EsoLang-Bench, a benchmark using five esoteric programming languages (Brainfuck, Befunge-98, Whitespace, Unlambda, and Shakespeare). All five of our chosen esoteric languages are Turing-complete, so the same algorithmic problems that are solvable in Python or JavaScript are in principle solvable in each of them. Yet, they are unfamiliar to LLMs which makes them a good proxy for evaluating out-of-distribution performance. The unfamiliarity of esoteric languages comprises of: (i) the hard-by-design primitives comprising the language; (ii) substantially less representation in pre-training corpora (340x to over 60,000x fewer public GitHub repositories than Python); (iii) negligible deployment value, which makes targeted inclusion in post-training data economically irrational. We evaluate five frontier models across five prompting strategies and find a dramatic capability gap. The same 80 problems expressed in Python or JavaScript reach 100% accuracy on top frontier models, while the equivalent esoteric versions score only 0-11%. Few-shot learning and self-reflection also fail to close this gap. EsoLang-Bench therefore provides a contamination-resistant testbed for measuring how well frontier models generalise algorithmic problem-solving to programming languages outside their training distribution.
Authors: Hany Abdulsamad, Sahel Iqbal, Christian A. Naesseth, Takuo Matsubara, Adrien Corenflos
Abstract: We address the brittleness of Bayesian experimental design under model misspecification by formulating the problem as a max--min game between the experimenter and an adversarial nature subject to information-theoretic constraints. We demonstrate that this approach yields a robust objective governed by Sibson's $\alpha$-mutual information (MI), which identifies the $\alpha$-tilted posterior as the robust belief update and establishes the R\'enyi divergence as the appropriate measure of conditional information gain. To mitigate the bias and variance of nested Monte Carlo estimators needed to estimate Sibson's $\alpha$-MI, we adopt a PAC-Bayes framework to search over stochastic design policies, yielding rigorous high-probability lower bounds on the robust expected information gain that explicitly control finite-sample error.
Authors: Jacob Levy, Tyler Westenbroek, Kevin Huang, Fernando Palafox, Patrick Yin, Shayegan Omidshafiei, Dong-Ki Kim, Abhishek Gupta, David Fridovich-Keil
Abstract: Robot learning requires adaptation methods that improve reliably from limited, mixed-quality interaction data. This is especially challenging in long-horizon, contact-rich tasks, where end-to-end policy finetuning remains inefficient and brittle. World models offer a compelling alternative: by predicting the outcomes of candidate action sequences, they enable online planning through counterfactual reasoning. However, training action-conditioned robotic world models directly in the real world requires diverse data at impractical scale. We introduce Simulation Distillation (SimDist), a framework that uses physics simulators as a scalable source of action-conditioned robot experience. During pretraining, SimDist distills structural priors from the simulator into a world model that enables planning from raw real-world observations. During real-world adaptation, SimDist transfers the encoder, reward model, and value function learned in simulation, and updates only the latent dynamics model using real-world prediction losses. This reduces adaptation to supervised system identification while preserving dense, long-horizon planning signals for online improvement. Across contact-rich manipulation and quadruped locomotion tasks, SimDist rapidly improves with experience, while prior adaptation methods struggle to make progress or degrade during online finetuning. Project website and code: https://sim-dist.github.io
Authors: Shwai He, Guoheng Sun, Haichao Zhang, Yun Fu, Ang Li
Abstract: Network pruning, which removes less important parameters or architectures, is often expected to improve efficiency while preserving performance. However, this expectation does not consistently hold across language tasks: pruned models can perform well on non-generative tasks but frequently fail in generative settings. To understand this discrepancy, we analyze network pruning from a representation-hierarchy perspective, decomposing the internal computation of language models into three sequential spaces: embedding (hidden representations), logit (pre-softmax outputs), and probability (post-softmax distributions). We find that representations in the embedding and logit spaces are largely robust to pruning-induced perturbations. However, the nonlinear transformation from logits to probabilities amplifies these deviations, which accumulate across time steps and lead to substantial degradation during generation. In contrast, the stability of the categorical-token probability subspace, together with the robustness of the embedding space, supports the effectiveness of pruning for non-generative tasks such as retrieval and multiple-choice selection. Our analysis disentangles the effects of pruning across tasks and provides practical guidance for its application. Code is available at https://github.com/CASE-Lab-UMD/Pruning-on-Representations
URLs: https://github.com/CASE-Lab-UMD/Pruning-on-Representations
Authors: Hengrui Gu, Xiaotian Han, Yujing Bian, Feiyi Wang, Kaixiong Zhou
Abstract: Reinforcement learning with verifiable rewards (RLVR) has substantially improved the reasoning ability of large language models (LLMs), but it often suffers from \textit{restricted exploration}, where the policy rapidly concentrates on a narrow set of solutions. A common remedy is entropy regularization, which attempts to preserve exploration by increasing policy entropy. However, for LLM-RL, this intervention is highly sensitive to its coefficient, can introduce semantically weak uncertainty, and often yields limited accuracy gains. This motivates a more precise question: which entropy helps reasoning, and which entropy should be reduced? To study this, we parameterize the advantage estimator in Group Relative Policy Optimization (GRPO) into positive and negative outcome-conditioned channels and analyze their entropy dynamics. Our results show that positive-channel modulation raises \textit{productive entropy} associated with successful reasoning trajectories, while negative-channel modulation removes \textit{noisy entropy} associated with failed rollouts and reduces interference with correct paths. Guided by this channel-wise view, we propose \textbf{AsymGRPO}, which decouples the modulation strengths of positive and negative advantages. This enables flexible control over how the model updates across prompt difficulty levels, allowing stronger reinforcement of rare successes on harder prompts or stronger suppression of residual failures on easier prompts without forcing the two channels to share the same modulation strength. Experiments on five mathematical reasoning benchmarks show that AsymGRPO outperforms strong RLVR baselines, with consistent gains across model backbones.
Authors: Horace Yiu, Leandro S\'anchez-Betancourt, \'Alvaro Cartea, Gerardo Duran-Martin
Abstract: We derive a robust update rule for the online infinite hidden Markov model (iHMM) for when the streaming data contains outliers and the model is misspecified. Leveraging recent advances in generalised Bayesian inference, we define robustness via the posterior influence function (PIF), and provide conditions under which the online iHMM has bounded PIF. Imposing robustness inevitably induces an adaptation lag for regime switching. Our method, which is called Batched Robust iHMM (BR-iHMM), balances adaptivity and robustness with two additional tunable parameters. Across limit order book data, hourly electricity demand, and a synthetic high-dimensional linear system, BR-iHMM reduces one-step-ahead forecasting error by up to 67% relative to competing online Bayesian methods. Together with theoretical guarantees of bounded PIF, our results highlight the practicality of our approach for both forecasting and interpretable online learning.
Authors: Krti Tallam
Abstract: Persistent language-model agents increasingly combine tool use, tiered memory, reflective prompting, and runtime adaptation. In such systems, behavior is shaped not only by current prompts but by mutable internal conditions that influence future action. This paper introduces layered mutability, a framework for reasoning about that process across five layers: pretraining, post-training alignment, self-narrative, memory, and weight-level adaptation. The central claim is that governance difficulty rises when mutation is rapid, downstream coupling is strong, reversibility is weak, and observability is low, creating a systematic mismatch between the layers that most affect behavior and the layers humans can most easily inspect. I formalize this intuition with simple drift, governance-load, and hysteresis quantities, connect the framework to recent work on temporal identity in language-model agents, and report a preliminary ratchet experiment in which reverting an agent's visible self-description after memory accumulation fails to restore baseline behavior. In that experiment, the estimated identity hysteresis ratio is 0.68. The main implication is that the salient failure mode for persistent self-modifying agents is not abrupt misalignment but compositional drift: locally reasonable updates that accumulate into a behavioral trajectory that was never explicitly authorized.
Authors: Giovanna Sannino, Ivanoe De Falco, Nadia Brancati, Laura Verde, Maria Frucci, Daniel Riccio, Vincenzo Bevilacqua, Antonio Di Marino, Lucia Aruta, Valentina Virginia Iuzzolino, Gianmaria Senerchia, Myriam Spisto, Raffaele Dubbioso
Abstract: Recent advances in Artificial Intelligence (AI) and the exploration of noninvasive, objective biomarkers, such as speech signals, have encouraged the development of algorithms to support the early diagnosis of neurodegenerative diseases, including Amyotrophic Lateral Sclerosis (ALS). Voice changes in subjects suffering from ALS typically manifest as progressive dysarthria, which is a prominent neurodegenerative symptom because it affects patients as the disease progresses. Since voice signals are complex data, the development and use of advanced AI techniques are fundamental to extracting distinctive patterns from them. Validating AI algorithms for ALS diagnosis and monitoring using voice signals is challenging, particularly due to the lack of annotated reference datasets. In this work, we present the outcome of a collaboration between a multidisciplinary team of clinicians and Machine Learning experts to create both a clinically annotated validation dataset and the "Speech Analysis for Neurodegenerative Diseases" (SAND) challenge based on it. Specifically, by analyzing voice disorders, the SAND challenge provides an opportunity to develop, test, and evaluate AI models for the automatic early identification and prediction of ALS disease progression.
Authors: Anthony Lee
Abstract: An approach to construct explicit integral representations for two-layer ReLU networks is presented, which provides relatively simple representations for any multivariate polynomial. Quantitative bounds are provided for a particular, sharpened ReLU integral representation, which involves a harmonic extension and a projection. The bounds demonstrate that functions can be approximated with $L^{2}(\mathcal{D})$ errors that do not depend explicitly on dimension or degree, but rather the coefficients of their monomial expansions and the distribution $\mathcal{D}$. We also present a connection to the RKHS of the exponential kernel $K(x,y)=\exp\left(\left\langle x,y\right\rangle \right)$, and a very simple integral representation involving additionally multiplication via a fixed function which has better quantitative bounds.
Authors: HakGeun Lee, Hyonho Chun
Abstract: This paper studies the identifiability and stability of drifting fields within the framework of Generative Modeling via Drifting. The motivating question is whether a zero-drift equilibrium identifies the target distribution, and whether an approximate zero drift implies weak distributional convergence. Since the original drifting model employs the Laplace kernel by default, we first analyze why standard Gaussian score-based arguments fail to apply. This analysis motivates the introduction of companion-elliptic kernel families, which are characterized by a companion potential satisfying an elliptic closure relation. We show that this class naturally contains the Laplace kernel and consists precisely of Gaussian and Mat\'ern kernels with smoothness parameter $\nu\ge 1/2$. Within this class, we establish field identifiability for arbitrary Borel probability measures on $\mathbb{R}^d$: if the drifting field vanishes identically, then the two measures must coincide. As for stability, we demonstrate that field convergence alone does not guarantee weak convergence, since mass may escape to infinity while remaining invisible to the field. Although tightness of the sequence directly removes this obstruction and restores weak stability, we prove that, even without tightness, every $C_0$-vague cluster point lies exactly on the defect ray $\{cp:0\le c\le1\}$. Consequently, a single scalar $C_0$-observable suffices to detect the missing mass and recover weak convergence.
Authors: Peter M\"ullner, Dominik Kowald, Markus Schedl, Elisabeth Lex
Abstract: Balancing differential privacy (DP) with recommendation accuracy is a key challenge in privacy-preserving recommender systems, since DP-noise degrades accuracy. We address this trade-off at both the data and model levels. At the data level, we apply DP only to the most stereotypical user data likely to reveal sensitive attributes, such as gender or age, to reduce unnecessary perturbation; we refer to this as targeted DP. At the model level, we use meta-learning to improve robustness to remaining DP-noise. This achieves a better trade-off between accuracy and privacy than standard approaches: Meta-learning improves accuracy and targeted DP leads to lower empirical privacy risk compared to uniformly applied DP and full DP baselines. Overall, our findings show that selectively applying DP at the data level together with meta-learning at the model level can effectively balance recommendation accuracy and user privacy.
Authors: Tu Nguyen, Matthieu Zimmer, Rasul Tutunov, Xiaotong Ji, Haitham Bou Ammar
Abstract: A recurring pattern in "reasoning without training" is that base LLMs already assign non-trivial probability mass to correct multi-step solutions; the bottleneck is locating these modes efficiently at inference time. Power sampling provides a principled way to bias decoding toward such modes by targeting p_theta(x)^alpha with alpha > 1, but practical approximations must account for future-dependent correction factors that determine which prefixes remain promising. We introduce Auxiliary Particle Power Sampling (APPS), a blockwise particle algorithm for approximating the sequence-level power target with a bounded population of partial solutions. APPS propagates hypotheses in parallel using proposal-corrected power reweighting and refines their survival through future-value-guided selection at resampling boundaries. This redistributes finite compute across competing prefixes rather than committing to a single unfolding path, while providing a direct scaling knob in the particle count and predictable peak memory. We instantiate the future-value signal with short-horizon rollouts and also study an amortized variant that replaces rollouts with a lightweight learned selection head. Across reasoning benchmarks, APPS improves the accuracy-runtime trade-off of training-free decoding and suggests that part of the gap to post-trained systems can be recovered through more faithful inference-time power approximation.
Authors: Zirui Tang, Xuanhe Zhou, Yumou Liu, Linchun Li, Weizheng Wang, Hongzhang Huang, Jun Zhou, Jiachen Song, Shaoli Yu, Jinqi Wang, Zihang Zhou, Hongyi Zhou, Jinyang Li, Jiashuo Liu, Chunwei Liu, GuoLiang Li, Fan Wu
Abstract: Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively. Despite its importance, existing relevant benchmarks largely evaluate agents on pre-specified or synthesized files with limited real-world dependencies, leaving workspace-level evaluation underexplored. To this end, we introduce Workspace-Bench, a benchmark for evaluating AI agents on Workspace Learning invOlving Large-Scale File Dependencies. We construct realistic workspaces with 5 worker profiles, 74 file types, 20,476 files (up to 20GB) and curate 388 tasks, each with its own file dependency graph, evaluated across 7,399 total rubrics that require cross-file retrieval, contextual reasoning, and adaptive decision-making. We further provide Workspace-Bench-Lite, a 100-task subset that preserves the benchmark distribution while reducing evaluation costs by about 70%. We evaluate 3 popular agent harnesses and 5 foundation models. Experimental results show that current agents remain far from reliable workspace learning, where the best reaches only about 60%, substantially below the human result of 80.7%, and the average performance across agents is only 45.1%.
Authors: Panos Tsimpos, Edoardo Calvello, Ayoub Belhadji, Nicholas H. Nelsen
Abstract: Probabilistic conditioning is concerned with the identification of a distribution of a random variable $X$ given a random variable $Y$. It is a cornerstone of scientific and engineering applications where modeling uncertainty is key. This problem has traditionally been addressed in machine learning by directly learning the conditional distribution of a fixed joint distribution. This paper introduces a novel perspective: we propose to solve the conditioning problem by identifying a single operator that maps any joint density to its conditional, thus amortizing over joint-conditional pairs. We establish that the conditioning operator can be approximated to arbitrary accuracy by neural operators. Our proof relies on new results establishing continuity of the conditioning operator over suitable classes of densities. Finally, we learn the conditioning map for a class of Gaussian mixtures using neural operators, illustrating the promise of our framework. This work provides the theoretical underpinnings for general-purpose, amortized methods for probabilistic conditioning, such as foundation models for Bayesian inference.
Authors: Zekun Wang, Anant Gupta, Zihan Dong, Christopher J. MacLellan
Abstract: Large language models (LLMs) increasingly receive information as streams of passages, conversations, and long-context workflows. While longer context windows expose more evidence, they do not ensure that useful information is preserved and reused. We study continual context consolidation: writing current context into model weights while limiting interference with previously consolidated information. We propose \textbf{S}elf-\textbf{Co}nsolidating \textbf{L}anguage Models (SCoL), a post-training framework in which, given current context, an LLM learns to generate textual update instructions specifying which of its own Transformer layers should be updated. Because committed updates change the model that later generates future selections, we train SCoL with meta-reinforcement learning over an evolving model state. We instantiate SCoL with supervised QA rewards on SQuAD knowledge incorporation and intrinsic likelihood-based rewards for LongBench v2 long-context consolidation. Across both settings, SCoL improves acquisition and retention over prompting, summarization, batch test-time training, and sequential finetuning baselines. Analysis of learned selection patterns shows that SCoL encourages the LLM to generate sparse update locations that align with layers of high Fisher information, suggesting that the model learns to route plasticity toward loss-sensitive regions while limiting interference. Moreover, SCoL transfers from shorter meta-training streams to longer LongBench v2 streams at evaluation, suggesting that our framework supports scalable streaming consolidation.
Authors: Valeriy Vyaltsev, Alsu Sagirova, Anton Andreychuk, Oleg Bulichev, Yuri Kuratov, Konstantin Yakovlev, Aleksandr Panov, Alexey Skrynnik
Abstract: Multi-agent pathfinding (MAPF) is a widely used abstraction for multi-robot trajectory planning problems, where multiple homogeneous agents move simultaneously within a shared environment. Although solving MAPF optimally is NP-hard, scalable and efficient solvers are critical for real-world applications such as logistics and search-and-rescue. To this end, the research community has proposed various decentralized suboptimal MAPF solvers that leverage machine learning. Such methods frame MAPF (from a single agent perspective) as a Dec-POMDP where at each time step an agent has to decide an action based on the local observation and typically solve the problem via reinforcement learning or imitation learning. We follow the same approach but additionally introduce a learnable communication module tailored to enhance cooperation between agents via efficient feature sharing. We present the Local Communication for Multi-agent Pathfinding (LC-MAPF), a generalizable pre-trained model that applies multi-round communication between neighboring agents to exchange information and improve their coordination. Our experiments show that the introduced method outperforms the existing learning-based MAPF solvers, including IL and RL-based approaches, across diverse metrics in a diverse range of (unseen) test scenarios. Remarkably, the introduced communication mechanism does not compromise LC-MAPF's scalability, a common bottleneck for communication-based MAPF solvers.
Authors: Radhika Amar Desai, Modigari Narendra
Abstract: In many real-world computer vision applications, including medical imaging and industrial inspection, binary classification tasks are characterized by a severe scarcity of positive samples. A widely adopted solution is to generate synthetic positive data using image-to-image transformations applied to negative samples. However, a fundamental challenge remains: how can we reliably assess whether such synthetic data will improve downstream model performance? In this work, we propose a geometry-driven metric that predicts the utility of synthetic data without requiring model training. Our approach operates in the embedding space of a pre-trained foundation model and represents the dataset through difference vectors between samples. We evaluate whether the weight vector of a linear classifier can be expressed within the subspace spanned by these variations by measuring the relative projection error. Intuitively, if the variations induced by synthetic data capture task-relevant directions, their span can approximate the classifier, resulting in low projection error. Conversely, poor synthetic data fails to span these directions, leading to higher error. Across multiple datasets and architectures, we show that this metric exhibits strong correlation with downstream classification performance of CNNs trained on mixtures of real negative and synthetic positive data. These findings suggest that the proposed metric serves as a practical and informative tool for evaluating synthetic data quality in data-scarce settings.
Authors: Qingyun Guo, Junyi Shi, Tomasz Piotr Kucner, Dominik Baumann
Abstract: Event-triggered control provides a mechanism for avoiding excessive use of constrained communication bandwidth in networked multi-agent systems. However, most existing methods rely on accurate system models, which may be unavailable in practice. In this work, we propose a model-free, priority-driven reinforcement learning algorithm that learns communication priorities and control policies jointly from data in decentralized multi-agent systems. By learning communication priorities, we circumvent the hybrid action space typical in event-triggered control with binary communication decisions. We evaluate our algorithm on benchmark tasks and demonstrate that it outperforms the baseline method.