Machine Learning
Modeling Dynamic Mixtures of Time-Delay Systems from Streaming Time Series
Ren Fujiwara, Yasuko Matsubara and Yasushi Sakurai
This research addresses the problem of adaptive modeling in time-series data streams with clear input-output relationships. This problem is challenging because rapid system changes (regime shifts) caused by environmental factors or input delay changes degrade model performance, and the trade-off among accuracy, robustness, and
memory usage arises when using multiple small models for each time-series pattern. To address these issues, this paper presents an online framework/method that treats streaming time series as dynamic mixtures of time-delay systems. This framework maintains robustness of model tracking and reduces
memory usage by summarizing past regimes using a fixed-length representation that captures both the system dynamics and input-output delays. Concretely, this approach constructs a summary system tensor using the system's Markov parameter series, capturing both dynamic behavior and delay characteristics. If necessary, a tensor decomposition
algorithm extracts relevant past models from the tensor and helps select the system that best fits the current regime. This method enables rapid adaptation to environmental changes and is computationally efficient. Tests on real
datasets show that DelayMix consistently outperforms other methods, achieving superior forecast accuracy and faster adaptation to delays, especially for highly non-stationary data.
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Machine Learning
HRVConformer: Neonatal Hypoxic-Ischemic Encephalopathy Classification from the Heart Rate signals
Shuwen Yu, William P Marnane, Geraldine B. Boylan et al. (+1 more)
This paper presents the HRVConformer, a novel deep learning architecture for the classification of hypoxic-ischemic encephalopathy (HIE) using the instantaneous heart rate (HR) signal. Unlike conventional approaches that rely on handcrafted features, HRVConformer directly processes raw HR signals in an end-to-end manner, capturing both local and long-range dependencies through a hybrid Convolution-
Transformer framework. By integrating convolutional layers for local feature extraction and
Transformer-based
attention mechanisms for global context modelling, the architecture effectively enhances signal representation and classification performance. The model was trained using supervised learning on a large HR
dataset consisting of 1,573 one-hour epochs, including 259 one-hour expert-annotated epochs and a substantial set of weakly labelled data. A 314-hour validation set provided a robust performance estimation, while an independent 215-hour
dataset with expert annotations was reserved for final testing. HR signals were extracted from electrocardiogram (ECG) recordings using an improved Pan-Tompkins
algorithm, which significantly enhanced both signal quality and data availability. Experimental results demonstrate that the HRVConformer achieves an AUC of 83.23% and accuracy of 74.56% on the test set. These results surpass the performance of the
Transformer, ResNet50 and fully convolutional networks baselines, highlighting the advantages of integrating convolutional and
Transformer-based components for HR-based HIE classification. The proposed method provides a promising step toward a more accurate and automated assessment of HIE using HR signals. The code is available at: https://github.com/syu-kylin/HRVConformer.
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All authors Shuwen Yu, William P Marnane, Geraldine B. Boylan, Gordon Lightbody
Machine Learning
Max-Window Scale Estimation for Near-Lossless HiF8 W8A8 Quantization-Aware Training
Yingying Cheng, Jinquan Shi, Li Zhou et al. (+4 more)
Quantization-aware training (QAT) with low-bit floating-point formats enables efficient LLM deployment, yet introduces subtle failure modes invisible to standard training metrics. We present a systematic study of HiF8 W8A8 QAT for OpenPangu-Embedded-1B through the lens of Delayed Tensor Scaling (DTS). Across eight controlled experiments, we identify and disentangle two orthogonal failure modes: (i)amax saturation, where delayed scale estimates silently corrupt knowledge-sensitive representations via forward-pass clipping, and (ii)catastrophic forgetting, where an aggressive learning rate overwrites pretrained commonsense knowledge independently of quantization. Neither is detectable from training loss alone. We address amax saturation with a conservative max-
algorithm DTS strategy over a 64-step history window, and mitigate forgetting via a 500-step BF16 warmup followed by QAT at lr=10^{-5}. Both fixes are necessary and sufficient: our final configuration achieves 0.43% MMLU drop, 0.58% HellaSwag drop, and 0.22% ARC-Challenge drop versus a matched BF16 baseline, with a training loss APE of only 0.11% over 10,000 steps.
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All authors Yingying Cheng, Jinquan Shi, Li Zhou, Zhiyang He, Zhaoyi Sun, Fan Zhang, Jie Sun
Machine Learning · Cross-listed from cs.SE
SetupX: Can LLM Agents Learn from Past Failures in Functionality-Correct Code Repository Setup?
Zihang Zhou, Ziqian Ren, Yukai Wu et al. (+7 more)
Functionality-correct repository setup aims to configure execution environments (e.g., dependencies, build scripts) to successfully execute a repository's documented features. It presents significant challenges due to diverse, repository-specific failures, including dependency incompatibilities, missing toolchains, incomplete installations, and verification-strategy mismatches. Existing LLM
agents struggle to robustly resolve these issues, specifically failing to support (1) cross-repository experience transfer, (2) multi-step trial-and-repair under non-invertible state changes, and (3) robust verification of setup outcomes to distinguish setup-induced failures from repository bugs. To address this, we introduce SetupX, an experiential learning-based setup framework. First, we construct a Self-Evolving Experience Representation (XPU), a dual-modality knowledge unit encoding setup signals, textual guidance, executable actions to dynamically transfer verified environment fixes to unseen repositories. Second, we employ Experience-Augmented Speculative Execution backed by a LIFO Docker snapshot stack, enabling the
agent to proactively trial fixes and safely roll back to known-good states. Third, we introduce a Prosecutor-Judge Verification Protocol that separates evidence collection from final judgment, enabling more reliable setup verification beyond superficial build-time metrics. Evaluation results on carefully-crafted
benchmarks show SetupX achieves highest performance (e.g., 92% pass rate) and outperforms the strongest baseline by over 19%. Crucially, SetupX excels in complex multi-repository setup requiring coordinating multiple interconnected services across different containers. The code repository is available at https://github.com/OpenDataBox/SetupX.
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All authors Zihang Zhou, Ziqian Ren, Yukai Wu, Yingjie Xiong, Wei Zhou, Chao Peng, Dong Zhang, Bingheng Yan, Xuanhe Zhou, Fan Wu
Machine Learning
GAC: Noise-Aware Adaptive Mixing for Hybrid SFT-RL Post-Training
Yuelin Hu, Wei Liu, Zhenbo Yu et al. (+2 more)
Hybrid post-training combining supervised fine-tuning (SFT) and reinforcement learning (RL) is the standard paradigm for aligning large
language models, yet fixed mixing schedules cannot adapt when the relative noise of the two signals evolves. We derive a noise-aware mixing weight mu* by minimizing an MSE upper bound on the mixed
stochastic gradient, yielding a closed-form that balances gradient noise variance and SFT-RL disagreement. Building on the
token-wise reweighting of CHORD, the practical Guided Adaptive Controller (GAC) adds EMA smoothing, a schedule prior, and capped updates around this
estimator, with all statistics estimated online from existing training tensors. The noise-aware controller alone outperforms the best rule-based controller by +3.0 percentage points on AMC; the full system reaches +3.8 points over HPT across math, code, science, and logic
benchmarks, while reducing KL-drift area by 28% and large absolute mixing-weight changes by more than 70%, at less than 1% overhead. Gains grow with model size from 1.5B to 14B. Resources: Qwen3.5-4B compact-backbone release: https://huggingface.co/YueLinHu/GAC-Qwen3.5-4B; reference implementation: https://github.com/deepnovacore/GAC; GAC project page: https://deepnovacore.github.io/GAC/
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All authors Yuelin Hu, Wei Liu, Zhenbo Yu, Zhengxue Cheng, Li Song
Machine Learning · Cross-listed from q-bio.QM
What Molecular Structure Cannot Tell Us: A Taxonomy of Explainability Gaps in GNN-Based Drug Toxicity Prediction
Juergen Dietrich
Not all clinically relevant adverse effects are structurally inferable from molecular graphs - regardless of model quality or architectural complexity. This study introduces an operational taxonomy of the structural information limits that prevent structure-based toxicity prediction, independent of the learning
algorithm employed. Graph Neural Networks (GNNs) have emerged as a natural approach for molecular toxicity prediction, operating directly on atomic connectivity without the information loss inherent to fixed-length fingerprints. However, the fraction of a drug's known pharmacological profile that is actually inferable from molecular structure remains systematically underexplored. A systematic case study using acetylsalicylic acid (ASA, Aspirin) - one of the most comprehensively characterized drugs in pharmacology - serves as model compound. A Message Passing Neural Network (MPNN) is trained on the Tox21
benchmark and GNNExplainer is applied to characterize atom-level attribution. Results indicate that molecular structure explains approximately 45% (5/11) of known ASA adverse effects. A four-category Gap Taxonomy (GAP-1 through GAP-4) is introduced distinguishing between principally non-encodable effects, data gaps arising from Missing Not At Random (MNAR) mechanisms, assay panel mismatches, and representation errors. The MNAR gap is empirically quantified via a systematic ChEMBL query (42 documented assays, 0 retrievable bioactivity entries). An
attention pooling experiment localizes the representation error to the MPNN message passing layers rather than the aggregation step. The Gap Taxonomy has direct implications for drug safety signal detection and regulatory frameworks including Good Pharmacovigilance Practice (GVP) guidelines and New Approach Methodologies (NAMs). Structural limits identified are confirmed in a companion DDI ablation study.
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Machine Learning · Cross-listed from cs.MA
ATOM: Instantiating Budget-Controllable Multi-Agent Collaboration via Nucleus-Electron Hierarchy
Xinkui Zhao, Sai Liu, Yifan Zhang et al. (+6 more)
Large
Language Model (LLM)-based multi-
agent systems rely on optimized collaboration
topologies to balance performance and communication costs. However, current methods struggle with the inherent stability-extensibility trade-off and often misalign computational budgets with query difficulty. We propose ATOM, an adaptive framework that generates budget-controllable collaboration graphs via a novel task-driven reinforcement learning paradigm. Inspired by atomic structures, ATOM employs a
nucleus-electron hierarchy: it maintains a stable, offline-learned collaboration backbone (the
nucleus) while dynamically activating query-conditioned
agents (electrons) during inference. Crucially, a complexity-aware budgeting strategy aligns resource consumption with task demands by estimating query difficulty to strictly regulate electron instantiation. Extensive experiments across six diverse
benchmarks demonstrate that ATOM achieves state-of-the-art performance while improving
token efficiency by up to $30\%$ compared to strong baselines.
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All authors Xinkui Zhao, Sai Liu, Yifan Zhang, Qingyu Ma, Zewen Lin, Naibo Wang, Guanjie Cheng, Chang Liu, Yueshen Xu
Machine Learning
InfoQuant: Shaping Activation Distributions for Low-Bit LLM Quantization
Ke Li, Dong An, Xiaoling Zang et al. (+6 more)
Low-bit activation quantization remains a major bottleneck in efficient large
language model (LLM) deployment. The difficulty is not only that activations contain outliers, but that their distributions are often poorly matched to a low-bit uniform quantizer. Existing post-training quantization (PTQ) methods suppress peaks, balance channels, or minimize reconstruction error, yet they rarely specify what activation distribution is actually easy to discretize. As a result, activations may appear numerically smoother while still incurring large quantization error because the quantization range remains wide or most values collapse into a few levels near the mean. We recast activation transformation as quantizer-facing distribution design and analyze quantization error from an information-theoretic perspective. Our analysis shows that quantization-friendly activations should jointly have a smaller numerical range and sufficient dispersion within that range. Guided by this analysis, we propose InfoQuant, a train-free method that employs Peak Suppression Orthogonal Transformation (PSOT) to shape activations into more quantization-friendly distributions. We further introduce adaptive outlier-
token selection to improve the robustness of PSOT during optimization. Across multiple LLM families, InfoQuant consistently outperforms prior PTQ and end-to-end training baselines. Under W4A4KV4, it preserves 97% of floating-point accuracy on average and reduces the LLaMA-2 13B performance gap by 42% over the previous state of the art. Code is available at [https://github.com/LLIKKE/InfoQuant](https://github.com/LLIKKE/InfoQuant)
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All authors Ke Li, Dong An, Xiaoling Zang, Can Ye, Liang Xie, Qibo Qiu, Chen Shen, Xiaofei He, Wenxiao Wang
Machine Learning
ARBITER: Reasoning Trajectory Basins and Majority Vote Failures in Test-Time Sampling
Meng Cai, Lars Kulik and Farhana Choudhury
When
language models use test-time sampling, they generate multiple
reasoning trajectories and select an answer by majority vote. We show that these trajectories are not independent: for a given question, they concentrate into a small number of clusters, or
reasoning basins, each defined by a normalized final answer and the solutions that reach it. A majority vote therefore selects the most stable basin rather than the most accurate one, which creates wrong-majority failures where the correct answer is present but outvoted. We introduce ARBITER, a model-agnostic approach that models interactions between basins using only the base model's own sampled outputs, hidden states, and derived evidence. Most direct correction strategies fail; ARBITER instead uses conservative additive evidence on top of consensus. In its simplest parameter-free form, ARBITER-{\Delta} adds same-model evidence to the majority prior, while ARBITER-Enc augments this with bounded residual signals from hidden states over complete solutions. On GSM8K with Qwen3-4B, consensus over K=24 samples achieves around the mid-94% range, while a same-pool top-2 oracle reaches around the mid-96% range. ARBITER recovers a subset of these cases using zero external information. Across three model families and three math
benchmarks, it yields consistent gains with no net-negative cases; for example, on Llama-3.1-8B MMLU-HS-Math, it improves accuracy from the mid-78% range to the mid-82% range, recovering about 22% of the available oracle headroom, indicating that this headroom can be partially recovered from the sample pool itself.
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Machine Learning
When Rule Violations Are Rare: Chimera Training for Logical Anomaly Detection
Alejandro Ascarate, Leo Lebrat, Rodrigo Santa Cruz et al. (+2 more)
Many practical anomalies are not merely rare inputs, but violations of semantic constraints: objects co-occur in structured ways, actions imply preconditions, and events satisfy temporal or relational regularities. We study anomaly detection in this setting, where constraints are given as logical rules over learned visual concepts, but real rule violations are rare or absent during training. We propose a neural rule evaluator that compiles each constraint into a directed acyclic graph and learns feature-aware subtree MLP gates for its internal logical operators. Each gate maps child features and edge-level negations to a parent representation and a rule-satisfaction probability, with intermediate supervision obtained from exact Boolean propagation over ground-truth concept labels. The key difficulty is that same-image training data often provide insufficient coverage of informative truth configurations and also allow shortcut solutions. To address this, we introduce chimera training: an operand-level counterfactual construction at the feature level. Instead of mixing input images, we concatenate subtree features from different samples; each operand keeps the hard truth label of the sample it came from, and the chimera target is obtained by applying the node's logical operator to those inherited labels. This supplies supervised logical counterexamples without requiring real anomalous images. Across CLEVRER, OpenImages, and VidOR, the resulting evaluator improves rule-level anomaly AUROC over independent-events and same-image semantic-training baselines, especially for compositional and relational rules. The method yields both scalar anomaly scores and rule-level attributions.
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All authors Alejandro Ascarate, Leo Lebrat, Rodrigo Santa Cruz, Clinton Fookes, Olivier Salvado
Machine Learning · Cross-listed from cs.OS
LearnedCache: eBPF-Integrated Perceptron-Based Eviction Policies for the Linux Page Cache
Zejia Qi
Any device that runs Linux uses the Linux page cache, a central pillar in OS and application performance, serving to reduce extraneous disk access. Many page cache eviction policies have been developed but remain bound by the
rigidity of heuristics. Promising research has been done on neural cache eviction policies, but only in the field of user-space applications such as CDNs. We present LearnedCache, a set of machine-learning-based page cache eviction policies that run live inside the Linux kernel through the cache_ext eBPF framework. LearnedCache trains a lightweight perceptron per workload on kernel trace data collected using eBPF to predict whether eviction candidates will be reused within a bounded horizon and deploys it through two eBPF policies. The resulting policies consistently compete with and outperform both external heuristic policies and the kernel's own, improving application throughput by up to 44% versus standard kernel policies.
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Machine Learning · Cross-listed from cs.AI
From Model Scaling to System Scaling: Scaling the Harness in Agentic AI
Shangding Gu
This paper studies the next major bottleneck in agentic AI as system scaling, not only model scaling: the design of auditable, persistent, modular, and verifiable architectures around foundation models. We refer to this shift as scaling the harness: treating the structured execution layer around a foundation model as a first-class object of design, evaluation, and optimization. Although recent large
language models enable
agents to use tools, retrieve information, maintain
memory, and execute long-horizon workflows, evaluation remains largely model-centric, often reducing
agents to final-task success while treating
memory,
retrieval, tool use, orchestration, verification, and governance as secondary implementation details. This framing is increasingly inadequate because
agent performance emerges from the interaction among the foundation model,
memory substrate, context constructor, skill-routing layer, orchestration loop, and verification-and-governance layer. Together, these components form the
agent harness, which translates model capability into long-horizon
agent behavior. We study scaling the harness through three core bottlenecks: context governance, trustworthy
memory, and dynamic skill routing, together with the orchestration and governance mechanisms that coordinate and constrain them. We further outline a research agenda for harness-level
benchmarks that go beyond one-shot task success to measure trajectory quality,
memory hygiene, context efficiency, communication fidelity, verification cost, and safe
evolution over time. To make the discussion concrete, we develop CheetahClaws: https://github.com/SafeRL-Lab/cheetahclaws, a Python-native reference harness, and compare it with Claude Code and OpenClaw. Our main claim is that future progress in agentic AI will depend as much on system design as on stronger foundation models.
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Machine Learning · Cross-listed from cs.CV
Squeezing Capacity from Multimodal Large Language Models for Subject-driven Generation
Shuhong Zheng, Aashish Kumar Misraa, Yu-Teng Li et al. (+2 more)
Subject-driven image generation aims to synthesize new images that preserve the identity of the given subject while following textual instructions. Existing approaches often encode text and reference images separately. This limits cross-modal
reasoning abilities and causes copy-paste artifacts. Recent frameworks that connect
multimodal models and
diffusion models improve instruction following, but largely overlook identity preservation. To address these limitations, we condition
diffusion models on
Multimodal Large
Language Models (MLLMs) that jointly encode text and reference images, and augment it with VAE-based identity conditioning. A novel Dual Layer Aggregation (DLA) module is designed to aggregate multi-level MLLM features for optimal conditioning, and a multi-stage denoising strategy is applied to progressively balance the semantic information from MLLM and fine-detail identity from VAE during inference. Extensive experiments demonstrate that our approach harmonizes
multimodal understanding with identity preservation, mitigates copy-paste issues, and achieves superior performance regarding human preference on subject-driven image generation. Our project website is available at https://zsh2000.github.io/squeeze-mllm-subject-gen/.
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All authors Shuhong Zheng, Aashish Kumar Misraa, Yu-Teng Li, Yu-Jhe Li, Igor Gilitschenski
Machine Learning
Prism: A Plug-in Reproducible Infrastructure for Scalable Multimodal Continual Instruction Tuning
Jun-Tao Tang, Yu-Cheng Shi, Zhen-Hao Xie et al. (+1 more)
Multimodal Large
Language Models (MLLMs) achieve versatility by reformulating diverse tasks into a unified instruction-following framework via instruction tuning. However, real-world deployment requires continuous adaptation to emerging tasks, motivating
Multimodal Continual Instruction Tuning (MCIT). Despite its growing importance, current MCIT research is hindered by severe engineering bottlenecks. Existing methods are typically implemented by directly modifying the base MLLM codebase, which imposes substantial implementation overhead and yields method-specific architectures that severely limit code reuse and fair comparison. To address this, we introduce Prism, a plug-in reproducible codebase specifically designed for scalable MCIT research. It separates algorithmic development from the backbone implementation via a lightweight plugin registration mechanism, enabling new strategies to be integrated as independent plugins without modifying the underlying MLLM codebase, thereby eliminating structural fragmentation and accelerating method development. Prism natively supports widely used large-scale training pipeline, thereby enabling reproducible and scalable MCIT experimentation. Code is available at https://github.com/LAMDA-CL/Prism.
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All authors Jun-Tao Tang, Yu-Cheng Shi, Zhen-Hao Xie, Da-Wei Zhou
Machine Learning
Sanghyun Lee, Chunsan Hong, Seungryong Kim et al. (+3 more)
Masked
diffusion models (MDMs) have emerged as a promising alternative to autoregressive models for
language modeling, yet the effective design of
transformer architectures for MDMs remains underexplored. In this paper, we show that selectively looping the early-middle
transformer layers significantly improves both training efficiency and model performance in MDMs. We call this approach LoopMDM(Looped Masked
Diffusion Model), which brings two key benefits: looping layers at training-time yields a depth-scaling effect without adding parameters, while varying the number of loops at inference-time enables flexible compute scaling. Despite the simplicity, the results are striking: across multiple pre-training corpora, LoopMDM matches the performance of same-size MDMs with up to 3.3 fewer training FLOPs, while its final performance outperforms them on various
reasoning benchmarks, including up to 8.5 points on GSM8K. It even surpasses deeper non-looped MDMs trained with comparable per-step compute, indicating that selective looping is more effective than naive depth scaling. Furthermore, LoopMDM can scale inference-time compute by increasing the number of loops. Adaptively adjusting the number of loops throughout the sampling process further yields additional gains in compute efficiency while maintaining performance. Lastly, with
attention analysis, we provide evidence that looping is effective in MDMs by promoting interactions among masked positions. Our code and weights will be publicly released.
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All authors Sanghyun Lee, Chunsan Hong, Seungryong Kim, Jonghyun Lee, Jongho Park, Dongmin Park
Machine Learning
Forgetting in Language Models: Capacity, Optimization, and Self-Generated Replay
Martin Marek, Dongkyu Cho, Shikai Qiu et al. (+3 more)
Models trained on a new task typically degrade on prior tasks, a phenomenon known as forgetting. Traditionally, mitigating forgetting has required replaying stored exemplars from prior tasks, which is often impractical. By contrast,
language models can sample from their own training distribution, and we show that these self-generated samples serve as effective replay data, nearly eliminating forgetting. We find that forgetting nonetheless persists when the model has little remaining capacity: models pretrained close to saturation cannot absorb new information without overwriting prior knowledge. When capacity is not the limiting factor, low learning rates reduce forgetting but require substantially more training steps. Replay breaks this tradeoff, enabling fast, high-learning-rate finetuning without forgetting.
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All authors Martin Marek, Dongkyu Cho, Shikai Qiu, Rumi Chunara, Pavel Izmailov, Andrew Gordon Wilson
Machine Learning
Goal-driven Bayesian Optimal Experimental Design for Robust Decision-Making Under Model Uncertainty
Jinwoo Go, Xiaoning Qian and Byung-Jun Yoon
Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions, as only specific parameter directions relevant to the objective truly matter. We propose GoBOED, a goal-driven BOED framework that directly optimizes experimental designs for a specified decision-making objective. GoBOED combines an amortized variational posterior surrogate with a differentiable convex decision layer, enabling gradient-based design optimization that is fully decision-focused. We theoretically show that GoBOED gradients are insensitive to parameter directions irrelevant to the decision objective, providing a formal justification for why goal-driven design achieves equivalent decision quality over a wider set of experimental designs than information-gain maximization. Empirically, across source localization, epidemic management, and pharmacokinetic control, GoBOED identifies designs that better align with downstream decision objectives and reveals that near-optimal design windows are substantially wider than those predicted by goal-agnostic BOED approaches.
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Machine Learning
GoQuant: Geometric Orthogonal Residual Projection for Multiplier-Free Power-of-Two Transformer Quantization
Maoyang Xiang, Tao Luo and Bo Wang
The deployment of Large
Language Models (LLMs) and
Vision Transformers (ViTs) on edge devices is significantly constrained by
memory capacity and the critical timing bottlenecks introduced by dense Multiply–Accumulate (MAC) arrays. In the ultra-low-bit regime, logarithmic Power-of-Two (PoT) quantization provides a hardware-efficient alternative by replacing general multiplications in the dominant dot-product computation with bit-shift operations. However, its non-uniform exponential
lattice inherently suffers from a Low Angular Resolution Regime, a structural limitation that becomes particularly pronounced below 4-bit precision and can substantially degrade the representation of high-dimensional feature
manifolds. To address this
geometric limitation, we propose
Geometric Orthogonal Residual Projection Quantization (GoQuant), an
algorithm–hardware co-design framework for multiplier-reduced low-bit inference. By formulating quantization as a dual-basis
geometric projection, GoQuant constructs a higher-resolution residual
lattice while retaining a shift-and-add inner-product structure. Its analytical solver further avoids computationally intensive gradient-based or iterative search procedures. The data-free
Geometric-Only (GEO) mode quantizes LLaMA-2-7B in only 0.47 minutes, while the Activation-Refined (REF) mode completes full-model quantization in approximately 4.4 minutes.
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Machine Learning · Cross-listed from stat.ML
DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking
Matt L. Wiemann, Lindsay M. Smith, Peter Melchior et al. (+4 more)
Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine
reasoning from recall of established science. We introduce DiscoverPhysics, an interactive
benchmark that asks a LLM
agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power
gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the
agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-
language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the
agent to design informative experiments and revise its hypotheses, the
benchmark probes long-horizon
reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest
agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.
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All authors Matt L. Wiemann, Lindsay M. Smith, Peter Melchior, Siddharth Mishra-Sharma, Andrew Gordon Wilson, Pavel Izmailov, Carolina Cuesta-Lázaro
Machine Learning
Global Convergence of Wasserstein Policy Gradient for Entropy-Regularized Reinforcement Learning
Zhaoyu Zhu, Rui Gao and Shuang Li
Wasserstein policy gradient (WPG) is a policy optimization method for reinforcement learning (RL) that exploits the optimal-transport geometry of action distributions. For the
entropy-regularized RL objective, WPG evolves each state-conditional policy by transporting it along the action gradient of the soft Q-function together with a Langevin-type
diffusion. Despite its appeal for continuous-control problems, its global convergence properties remain poorly understood. Standard Langevin analyses do not directly apply, because the RL objective depends on the policy through the Bellman recursion rather than through a static convex functional, and the Langevin drift is determined by the soft Q-function, whose regularity must be controlled along the policy iterates. In this paper, we develop a global convergence theory for WPG by exploiting the Bellman structure of
entropy-regularized RL. We show that the role usually played by convexity can be replaced by a Bellman-based argument: the soft Bellman residual admits a statewise KL representation with respect to a Gibbs policy; Bellman contraction relates this residual to the global optimality gap; and a Bellman resolvent identity connects value improvement to relative Fisher information. Combined with a uniform log-Sobolev inequality (LSI) for the evolving Gibbs family, these ingredients yield a distributional Polyak–Łojasiewicz condition. We further establish the regularity and uniform bounds needed to control the discretization error, thereby obtaining
geometric contraction up to a discretization bias. Conceptually, our analysis shows that although
entropy-regularized RL is not convex in the usual flat sense, the Bellman recursion induces a favorable Polyak–Lojasiewicz-type (PL) geometry that supports global convergence of WPG.
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Machine Learning
Active Query Synthesis for Preference Learning
Namrata Nadagouda, Nauman Ahad, Maegan Tucker et al. (+1 more)
Efficient learning of user preferences is crucial for many modern decision making systems but typically requires costly labeled data. Active learning reduces this cost, yet standard methods are computationally expensive due to pool-based evaluation. Further, most methods assume all query feedback is equally reliable, ignoring that pairwise queries between nearly identical or entirely dissimilar items yield ambiguous, low-confidence responses. To address the issue of feedback reliability, we introduce a novel confidence aware response model that explicitly accounts for these ambiguous comparisons. To overcome the computational bottleneck of pool-based evaluation, we propose an active query synthesis framework, Info-Synth that generates optimal queries by maximizing a mutual information-based objective within a continuous space. Moreover, we propose two strategies, Pair M-dist and Pair Opt-dist, that extend Info-Synth to select effective queries even when restricted to finite query pools. We demonstrate our framework's versatility and performance across synthetic preference learning, constrained text summary
datasets, and subjective, continuous-space controller gain tuning for a simulated mobile
robot.
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All authors Namrata Nadagouda, Nauman Ahad, Maegan Tucker, Mark A. Davenport
Machine Learning
Rethinking Weak Supervision in Anomaly Detection: A Comprehensive Benchmark
Xu Yao, Siyuan Zhou, Zhenbo Wu et al. (+6 more)
Weakly supervised anomaly detection (WSAD) has developed in three primary directions: incomplete, inexact, and inaccurate supervision. However, these directions remain isolated, lacking a unified framework to assess whether they address unique challenges or share fundamental mechanisms. This paper introduces WSADBench, the first
benchmark that unifies evaluation across distinct weakly supervised scenarios, benchmarking diverse approaches from specialized WSAD methods to advanced tabular foundation models. WSADBench establishes standardized protocols to evaluate 36
algorithms across 4 modalities by systematically varying label quantity, granularity, and quality, revealing the performance boundaries of various methods. Based on over 700K experiments, WSADBench reveals four critical insights: (i) Strong intrinsic correlations exist between these weak supervision scenarios, challenging the isolation of current research directions. (ii) Specialized WSAD
algorithms excel only in extreme label-scarcity regimes but are quickly dominated by tabular foundation models and general classification methods as supervision increases or in OOD scenarios. (iii) Unlabeled data shows inconsistent utility across settings, with marginal gains compared to label refinement. (iv) Models exhibit asymmetric sensitivity to different types of label noise. We release WSADBench as an open-source
benchmark with code and
datasets to facilitate future WSAD research: https://github.com/SUFE-AILAB/WSADBench.
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All authors Xu Yao, Siyuan Zhou, Zhenbo Wu, Chaochuan Hou, Shuang Liang, Shiping Wang, Hailiang Huang, Songqiao Han, Minqi Jiang
Machine Learning
Conditional KRR: Injecting Unpenalized Features into Kernel Methods with Applications to Kernel Thresholding
Rustem Takhanov and Zhenisbek Assylbekov
Conditionally positive definite (CPD) kernels are defined with respect to a function class $\mathcal{F}$. It is well known that such a kernel $K$ is associated with its native space (defined analogously to an RKHS), which in turn gives rise to a learning method – called conditional kernel ridge regression (conditional KRR) due to its analogy with KRR – where the estimated regression function is penalized by the square of its native space norm. This method is of interest because it can be viewed as classical linear regression, with features specified by $\mathcal{F}$, followed by the application of standard KRR to the residual (unexplained) component of the target variable. Methods of this type have recently attracted increasing
attention. We study the statistical properties of this method by reducing its behavior to that of KRR with another fixed kernel, called the residual kernel. Our main theoretical result shows that such a reduction is indeed possible, at the cost of an additional term in the expected test risk, bounded by $\mathcal{O}(1/\sqrt{N})$, where $N$ is the sample size and the hidden constant depends on the class $\mathcal{F}$ and the input distribution. This reduction enables us to analyze conditional KRR in the case where $K$ is positive definite and $\mathcal{F}$ is given by the first $k$ principal eigenfunctions in the Mercer decomposition of $K$. We also consider the setting where $\mathcal{F}$ consists of $k$ random features from a random feature representation of $K$. It turns out that these two settings are closely related. Both our theoretical analysis and experiments confirm that conditional KRR outperforms standard KRR in these cases whenever the $\mathcal{F}$-component of the regression function is more pronounced than the residual part.
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Machine Learning · Cross-listed from cs.CV
Paris 2.0: A Decentralized Diffusion Model for Video Generation
Ali Rouzbayani, Bidhan Roy, Marcos Villagra et al. (+1 more)
We present Paris 2.0, the first
video generation model pre-trained through decentralized computation. Its training recipe builds upon Paris 1.0 (arXiv:2510.03434), the first ever open-weight Decentralized
Diffusion Model (DDM), which showed that image generation can be trained without a monolithic GPU cluster. However, temporally coherent
video generation had remained an open problem under decentralized training, and Paris 2.0 closes it. In low-resolution text-to-
video training, against a monolithic model trained on the same data under a matched total compute budget, Paris 2.0 cuts Frechet
Video Distance (FVD) from 561.04 to 279.01, a ~2.0x improvement, and lifts CLIP text-
video similarity and aesthetic score.
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All authors Ali Rouzbayani, Bidhan Roy, Marcos Villagra, Zhiying Jiang
Machine Learning
Neuronal Stochastic Attention Circuit (NSAC) for Probabilistic Representation Learning
Waleed Razzaq and Yun-Bo Zhao
Reliable uncertainty quantification in continuous-time (CT) representation learning remains nascent, particularly within CT
attention literature. We introduce the Neuronal
Stochastic Attention Circuit (NSAC), a novel biologically-inspired CT
attention architecture that reformulates
attention logit computation as the solution of an Ornstein-Uhlenbeck
stochastic differential equation modulated by input-dependent, nonlinear interlinked gates derived from repurposed C. elegans Neuronal
Circuit Policies (NCPs) wiring mechanism. It induces a Gaussian distribution over logits that propagates principled stochasticity through a logistic-normal distribution over
attention weights to yield probabilistic output. A two-term objective function combining Gaussian negative log-likelihood with an epistemic-separation regularizer enforces higher predictive variance under distributional shifts and enables joint quantification of aleatoric and epistemic uncertainty. Theoretically, we provide: (i) state stability bounds; (ii) closed-form guarantees; and (iii) frozen-coefficient error approximation. Empirically, we implement NSAC in a diverse set of learning tasks including: (i) irregular CT function approximation; (ii) multivariate regression; (iii) long-range
forecasting; (iv) Industry 4.0; and (v) lane-keeping of autonomous vehicles. We observe that NSAC remains competitive against several baselines in terms of accuracy and produces informative uncertainty estimates while being interpretable at the neuronal
cell level.
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Machine Learning · Cross-listed from physics.flu-dyn
Accelerating Bayesian inverse design in computational fluid dynamics using neural operators
Bipin Tiwari and Omer San
Bayesian inverse design provides a principled framework for inferring aerodynamic geometries from sparse flow observations while quantifying uncertainty. However, its practical use in computational fluid dynamics (CFD) is severely limited by the cost of repeated high-fidelity simulations required for gradient-based Markov chain Monte Carlo (MCMC) sampling. While surrogate models are commonly proposed to reduce this cost, their effect on posterior geometry and uncertainty, especially for shock-dominated flows, remains poorly understood. In this work, we demonstrate that neural operator surrogates can be embedded directly within the MCMC inference loop while preserving posterior structure. Using a fully
Bayesian inverse formulation of quasi-one-dimensional nozzle flow, we demonstrate that geometry parameterization plays a decisive role in identifiability and posterior conditioning, with cubic B-splines yielding stable and physically meaningful uncertainty estimates. Building on this formulation, a Deep Operator Network trained on CFD-generated data is substituted for the CFD solver within a No-U-Turn Sampler, while keeping the likelihood model, priors, and sampling configuration unchanged. Across sparse to fully observed regimes, surrogate-based inference reproduces the posterior geometry and uncertainty trends of the CFD reference. As a result of surrogate integration, total inference time is reduced to under one second, corresponding to a speedup exceeding three orders of magnitude. In addition, a direct inverse neural operator is examined as a deterministic alternative for inverse design, enabling single-shot geometry reconstruction without posterior sampling. These results demonstrate that neural operator-accelerated
Bayesian inference enables practical, uncertainty-aware inverse design workflows for aerodynamic applications.
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Machine Learning · Cross-listed from cs.CL
When Gradients Collide: Failure Modes of Multi-Objective Prompt Optimization for LLM Judges
Parth Darshan and Abhishek Divekar
Customizing an LLM judge to a specific problem or domain often involves optimizing its
prompt across multiple evaluation criteria simultaneously. Textual gradient methods automate this for a single judge criterion, however they produce natural-
language critiques, not numerical vectors. Thus, the conflict-resolution toolkit of multi-task learning (PCGrad, MGDA) does not apply to this multi-objective textual gradient setting. We extend TextGrad to the multi-objective setting and test four decomposition modes of textual gradient optimizers by varying how much cross-objective information the loss, gradient and optimizer LLMs share. We find the gradient's task-focus drops by 59% (9.0 to 3.7 out of 10) when the gradient LLM must provide feedback on multiple criteria jointly. Separately, we observe that naively combining single-objective optimized instructions into a single
prompt degrades Spearman rho from 0.305 to 0.220 (-0.085). These results identify two separable failure modes: optimization-time gradient dilution and inference-time instruction interference, which together constrain the design space for multi-objective judge optimization using textual feedback.
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Machine Learning · Cross-listed from cs.AI
CITYREP: A Unified Benchmark for Urban Representations Across Cities, Tasks, and Modalities
Junyuan Liu, Xinglei Wang, Zichao Zeng et al. (+5 more)
Urban representation learning encodes complex urban environments into general-purpose
embeddings for diverse downstream tasks and emerging urban foundation models. However, current evaluations are limited, typically focusing on one or two cities and tasks and relying on random splits that introduce spatial leakage, leading to inflated performance and weak support for cross-location generalization and fair comparison. To address this, we propose CityRep, a unified
benchmark that evaluates urban representations across data modalities, cities, and tasks using spatially structured splits. CityRep consists of three key components: (1) a spatial unit-agnostic evaluation framework that supports heterogeneous urban representations through a standardized
alignment module; (2) a unified evaluation protocol using block-based spatial splits to mitigate spatial leakage and enable rigorous model comparison; and (3) an extensible multi-city, multi-task
benchmark suite spanning 8 cities and 8 tasks across regression, classification, and distribution prediction. We evaluate 11 representative urban representation models. Results show that performance is highly sensitive to the split protocol, with random splits inflating scores and altering model rankings. We also observe substantial variability across cities and tasks, underscoring the need for generalization-aware evaluation. CityRep is released as a reproducible
benchmark with
datasets, evaluation pipelines, and diagnostic tools to facilitate fair comparison and support future research in urban representation learning towards urban foundation models.
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All authors Junyuan Liu, Xinglei Wang, Zichao Zeng, Jiazhuang Feng, Quan Qin, Ilya Ilyankou, Guangsheng Dong, Tao Cheng
Machine Learning
Length Generalization with Log-Depth Recurrent Units
Charles Pert, Dalal Alrajeh and Alessandra Russo
Length generalization remains a persistent challenge for neural networks: recurrent models tend to suffer from positional biases, while
transformers are constrained by fixed computational depth. Regular
languages provide a frequently used testbed for evaluating length generalization, as label prediction can be checked for any sequence length. We propose MLP-LDRU, a type of Log-Depth Recurrent Unit, which captures a class of associativity-biased operators designed to approximate recurrence through parallel reduction. We evaluate MLP-LDRU on 21 regular-
language tasks, consisting of standard
benchmarks and new prefix
languages, where it achieves 100% out-of-distribution accuracy on 18 tasks and at least 99.9% on the remaining 3 when increasing max training length, outperforming comparable recurrent and
attention-based models. We further evaluate MLP-LDRU beyond regular
languages on ListOps and NLP classification
benchmarks, where it performs competitively.
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Machine Learning · Cross-listed from cs.CV
Everything at Every Scale: Scale-Invariant Diffusion with Continuous Super-Resolution
Zixin Jessie Chen, Zhuo Chen, Archer Wang et al. (+4 more)
Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce $\textbf{SKILD}$, a $\textbf{S}$cale-invariant $\textbf{K}$-Space $\textbf{I}$mage $\textbf{L}$earning $\textbf{D}$iffusion model that unifies generation and continuous super-resolution within a single unconditional framework. Both natural images and critical physical systems exhibit scale invariance, and we leverage it to design a forward process that attenuates image content from fine to coarse scales while injecting spectrum-matched Gaussian noise, making scale an explicit coordinate of the
diffusion dynamics. The same trained reverse process performs generation and continuous super-resolution by varying only the starting timestep: $\textit{no task-specific architecture, no conditioning branch, no classifier-free guidance, no retraining per scale factor}$. Empirically, SKILD reaches FID $2.61$ and Inception Score $9.65$ on unconditional CIFAR-10, performs $2\times$–$8\times$ super-resolution on ImageNet from a single unconditional checkpoint while outperforming conditional models across perceptual metrics, and reconstructs critical Ising models whose connected four-point correlations closely track the ground truth.
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All authors Zixin Jessie Chen, Zhuo Chen, Archer Wang, Jeff Gore, William T. Freeman, Congyue Deng, Marin Soljačić