Machine Learning
Decoupled Travel Planning with Behavior Forest
Duanyang Yuan, Sihang Zhou, Yanning Hou et al. (+7 more)
Behavior sequences, composed of executable steps, serve as the operational foundation for multi-constraint planning problems such as travel planning. In such tasks, each planning step is not only constrained locally but also influenced by global constraints spanning multiple subtasks, leading to a tightly coupled and complex decision process. Existing travel planning methods typically rely on a single decision space that entangles all subtasks and constraints, failing to distinguish between locally acting constraints within a subtask and global constraints that span multiple subtasks. Consequently, the model is forced to jointly reason over local and global constraints at each decision step, increasing the
reasoning burden and reducing planning efficiency. To address this problem, we propose the Behavior Forest method. Specifically, our approach structures the decision-making process into a forest of parallel behavior trees, where each behavior tree is responsible for a subtask. A global coordination mechanism is introduced to orchestrate the interactions among these trees, enabling modular and coherent travel planning. Within this framework, large
language models are embedded as decision engines within behavior tree nodes, performing localized
reasoning conditioned on task-specific constraints to generate candidate subplans and adapt decisions based on coordination feedback. The behavior trees, in turn, provide an explicit control structure that guides LLM generation. This design decouples complex tasks and constraints into manageable subspaces, enabling task-specific
reasoning and reducing the cognitive load of LLM. Experimental results show that our method outperforms state-of-the-art methods by 6.67% on the TravelPlanner and by 11.82% on the ChinaTravel
benchmarks, demonstrating its effectiveness in increasing LLM performance for complex multi-constraint travel planning.
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All authors Duanyang Yuan, Sihang Zhou, Yanning Hou, Xiaoshu Chen, Haoyuan Chen, Ke Liang, Jiyuan Liu, Chuan Ma, Xinwang Liu, Jian Huang
Machine Learning · Cross-listed from cs.CV
Trust-SSL: Additive-Residual Selective Invariance for Robust Aerial Self-Supervised Learning
Wadii Boulila, Adel Ammar, Bilel Benjdira et al. (+1 more)
Self-supervised learning (SSL) is a standard approach for representation learning in aerial imagery. Existing methods enforce invariance between augmented views, which works well when augmentations preserve semantic content. However, aerial images are frequently degraded by haze, motion blur, rain, and occlusion that remove critical evidence. Enforcing
alignment between a clean and a severely degraded view can introduce spurious structure into the latent space. This study proposes a training strategy and architectural modification to enhance SSL robustness to such corruptions. It introduces a per-sample, per-factor trust weight into the
alignment objective, combined with the base contrastive loss as an additive residual. A stop-gradient is applied to the trust weight instead of a multiplicative gate. While a multiplicative gate is a natural choice, experiments show it impairs the backbone, whereas our additive-residual approach improves it. Using a 200-epoch protocol on a 210,000-image corpus, the method achieves the highest mean linear-probe accuracy among six backbones on EuroSAT, AID, and NWPU-RESISC45 (90.20% compared to 88.46% for SimCLR and 89.82% for VICReg). It yields the largest improvements under severe information-erasing corruptions on EuroSAT (+19.9 points on haze at s=5 over SimCLR). The method also demonstrates consistent gains of +1 to +3 points in Mahalanobis AUROC on a zero-shot cross-domain stress test using BDD100K weather splits. Two ablations (scalar uncertainty and cosine gate) indicate the additive-residual formulation is the primary source of these improvements. An evidential variant using Dempster-Shafer fusion introduces interpretable signals of conflict and ignorance. These findings offer a concrete design principle for uncertainty-aware SSL. Code is publicly available at https://github.com/WadiiBoulila/trust-ssl.
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All authors Wadii Boulila, Adel Ammar, Bilel Benjdira, Maha Driss
Machine Learning · Cross-listed from cs.CL
Beyond Single Plots: A Benchmark for Question Answering on Multi-Charts
Azher Ahmed Efat, Seok Hwan Song and Wallapak Tavanapong
Charts are widely used to present complex information. Deriving meaningful insights in real-world contexts often requires interpreting multiple related charts together. Research on understanding multi-chart images has not been extensively explored. We introduce PolyChartQA, a mid-scale
dataset specifically designed for question answering over multi-chart images. PolyChartQA comprises 534 multi-chart images (with a total of 2,297 sub-charts) sourced from peer-reviewed computer science research publications and 2,694 QA pairs. We evaluate the performance of nine state-of-the-art
Multimodal Language Models (MLMs) on PolyChartQA across question type, difficulty, question source, and key structural characteristics of multi-charts. Our results show a 27.4% LLM-based accuracy (L-Accuracy) drop on human-authored questions compared to MLM-generated questions, and a 5.39% L-accuracy gain with our proposed prompting method.
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Machine Learning
Sub-Token Routing for KV Cache Compression
Wei Jiang and Wei Wang
Transformer inference often requires a large KV cache, especially for long-context
language modeling and
multimodal generation. Existing compression methods usually reduce cache cost by selecting, evicting, quantizing, or compressing cached
tokens, or by reducing the visual-
token sequence before
language-model inference. We introduce sub-
token routing, a KV-compression method that adds a finer control axis inside retained
tokens. It splits each retained value vector into groups and keeps only selected groups, while leaving query and key states unchanged. The method is designed to work after
token-level reduction. First, a
token-reduction method determines which
tokens are retained. Then, sub-
token routing compresses the value states inside those retained
tokens. Experiments under matched KV budgets show that adding sub-
token routing improves
token-level reduction performance in both LLM and VLM settings, including Quest on LLaMA-2-7B and Qwen2.5-7B, and FastV/VisionZip across LLaVA and Qwen-VL models. The gains are larger at smaller KV budgets, suggesting that value-group routing is especially useful when further
token removal becomes costly. Overall,
token-level reduction and sub-
token routing provide complementary ways to reduce KV cost.
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Machine Learning · Cross-listed from cs.AI
Ideological Bias in LLMs' Economic Causal Reasoning
Donggyu Lee, Hyeok Yun, Jungwon Kim et al. (+4 more)
Do large
language models (LLMs) exhibit systematic ideological bias when
reasoning about economic causal effects? As LLMs are increasingly used in policy analysis and economic reporting, where directionally correct causal judgments are essential, this question has direct practical stakes. We present a systematic evaluation by extending the EconCausal
benchmark with ideology-contested cases - instances where intervention-oriented (pro-government) and
market-oriented (pro-
market) perspectives predict divergent causal signs. From 10,490 causal triplets (treatment-outcome pairs with empirically verified effect directions) derived from top-tier economics and finance journals, we identify 1,056 ideology-contested instances and evaluate 20 state-of-the-art LLMs on their ability to predict empirically supported causal directions. We find that ideology-contested items are consistently harder than non-contested ones, and that across 17 of 20 models, accuracy is systematically higher when the empirically verified causal sign aligns with intervention-oriented expectations than with
market-oriented ones. Moreover, when models err, their incorrect predictions disproportionately lean intervention-oriented, and this directional skew is not eliminated by one-shot in-context prompting. These results highlight that LLMs are not only less accurate on ideologically contested economic questions, but systematically less reliable in one ideological direction than the other, underscoring the need for direction-aware evaluation in high-stakes economic and policy settings.
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All authors Donggyu Lee, Hyeok Yun, Jungwon Kim, Junsik Min, Sungwon Park, Sangyoon Park, Jihee Kim
Machine Learning
Understanding and Mitigating Spurious Signal Amplification in Test-Time Reinforcement Learning for Math Reasoning
Yongcan Yu, Lingxiao He, Jian Liang et al. (+5 more)
Test-time reinforcement learning (TTRL) always adapts models at inference time via pseudo-labeling, leaving it vulnerable to spurious optimization signals from label noise. Through an empirical study, we observe that responses with medium consistency form an ambiguity region and constitute the primary source of reward noise. Crucially, we find that such spurious signals can be even amplified through group-relative advantage estimation. Motivated by these findings, we propose a unified framework, Debiased and Denoised test-time Reinforcement Learning (DDRL), to mitigate spurious signals. Concretely, DDRL first applies a frequency-based sampling strategy to exclude ambiguous samples while maintaining a balanced set of positive and negative examples. It then adopts a debiased advantage estimation with fixed advantages, removing the bias introduced by group-relative policy optimization. Finally, DDRL incorporates a consensus-based off-policy refinement stage, which leverages the rejection-sampled
dataset to enable efficient and stable model updates. Experiments on three large
language models across multiple mathematical
reasoning benchmarks demonstrate that DDRL consistently outperforms existing TTRL baselines. The code will soon be released at https://github.com/yuyongcan/DDRL.
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All authors Yongcan Yu, Lingxiao He, Jian Liang, Kuangpu Guo, Meng Wang, Qianlong Xie, Xingxing Wang, Ran He
Machine Learning · Cross-listed from cs.CL
Explainable Disentangled Representation Learning for Generalizable Authorship Attribution in the Era of Generative AI
Hieu Man, Van-Cuong Pham, Nghia Trung Ngo et al. (+2 more)
Learning robust representations of authorial style is crucial for authorship attribution and AI-generated text detection. However, existing methods often struggle with content-style
entanglement, where models learn spurious correlations between authors' writing styles and topics, leading to poor generalization across domains. To address this challenge, we propose Explainable Authorship Variational Autoencoder (EAVAE), a novel framework that explicitly disentangles style from content through architectural separation-by-design. EAVAE first pretrains style encoders using supervised contrastive learning on diverse authorship data, then finetunes with a Variational Autoencoder (VEA) architecture using separate encoders for style and content representations. Disentanglement is enforced through a novel discriminator that not only distinguishes whether pairs of style/content representations belong to the same or different authors/content sources, but also generates natural
language explanation for their decision, simultaneously mitigating confounding information and enhancing interpretability. Extensive experiments demonstrate the effectiveness of EAVAE. On authorship attribution, we achieve state-of-the-art performance on various
datasets, including Amazon Reviews, PAN21, and HRS. For AI-generated text detection, EAVAE excels in few-shot learning over the M4
dataset. Code and data repositories are available online\footnote{https://github.com/hieum98/avae} \footnote{https://huggingface.co/collections/Hieuman/document-level-authorship-
datasets}.
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All authors Hieu Man, Van-Cuong Pham, Nghia Trung Ngo, Franck Dernoncourt, Thien Huu Nguyen
Machine Learning · Cross-listed from cs.CL
Cross-Entropy Is Load-Bearing: A Pre-Registered Scope Test of the K-Way Energy Probe on Bidirectional Predictive Coding
Jon-Paul Cacioli
Cacioli (2026) showed that the K-way energy probe on standard discriminative predictive coding networks reduces approximately to a monotone function of the log-softmax margin. The reduction rests on five assumptions, including cross-
entropy (CE) at the output and effectively feedforward inference dynamics. This pre-registered study tests the reduction's sensitivity to CE removal using two conditions: standard PC trained with MSE instead of CE, and bidirectional PC (bPC; Oliviers, Tang & Bogacz, 2025). Across 10 seeds on CIFAR-10 with a matched 2.1M-parameter backbone, we find three results. The negative result replicates on standard PC: the probe sits below softmax (Delta = -0.082, p < 10^-6). On bPC the probe exceeds softmax across all 10 seeds (Delta = +0.008, p = 0.000027), though a pre-registered manipulation check shows that bPC does not produce materially greater latent movement than standard PC at this scale (ratio 1.6, threshold 10). Removing CE alone without changing inference dynamics halves the probe-softmax gap (Delta_MSE = -0.037 vs Delta_stdPC = -0.082). CE is a major empirically load-bearing component of the decomposition at this scale. CE training produces output logit norms approximately 15x larger than MSE or bPC training. A post-hoc temperature scaling ablation decomposes the probe-softmax gap into two components: approximately 66% is attributable to logit-scale effects removable by temperature rescaling, and approximately 34% reflects a scale-invariant ranking advantage of CE-trained representations. We use "metacognitive" operationally to denote Type-2 discrimination of a readout over its own Type-1 correctness, not to imply human-like introspective access.
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Machine Learning · Cross-listed from cs.CR
Strategic Heterogeneous Multi-Agent Architecture for Cost-Effective Code Vulnerability Detection
Zhaohui Geoffrey Wang
Automated code vulnerability detection is critical for software security, yet existing approaches face a fundamental trade-off between detection accuracy and computational cost. We propose a heterogeneous multi-
agent architecture inspired by game-theoretic principles, combining cloud-based LLM experts with a local lightweight verifier. Our "3+1" architecture deploys three cloud-based expert
agents (DeepSeek-V3) that analyze code from complementary perspectives - code structure, security patterns, and debugging logic - in parallel, while a local verifier (Qwen3-8B) performs
adversarial validation at zero marginal cost. We formalize this design through a two-layer game framework: (1) a cooperative game among experts capturing super-additive value from diverse perspectives, and (2) an
adversarial verification game modeling quality assurance incentives. Experiments on 262 real samples from the NIST Juliet Test Suite across 14 CWE types, with balanced vulnerable and benign classes, demonstrate that our approach achieves a 77.2% F1 score with 62.9% precision and 100% recall at $0.002 per sample - outperforming both a single-expert LLM baseline (F1 71.4%) and Cppcheck static analysis (MCC 0). The
adversarial verifier significantly improves precision (+10.3 percentage points, p < 1e-6, McNemar's test) by filtering false positives, while parallel execution achieves a 3.0x speedup. Our work demonstrates that game-theoretic design principles can guide effective heterogeneous multi-
agent architectures for cost-sensitive software engineering tasks.
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Machine Learning · Cross-listed from stat.ML
CLT-Optimal Parameter Error Bounds for Linear System Identification
Yichen Zhou and Stephen Tu
There has been remarkable progress over the past decade in establishing finite-sample, non-asymptotic bounds on recovering unknown system parameters from observed system behavior. Surprisingly, however, we show that the current state-of-the-art bounds do not accurately capture the statistical complexity of system identification, even in the most fundamental setting of estimating a discrete-time linear dynamical system (LDS) via ordinary least-squares regression (OLS). Specifically, we utilize asymptotic normality to identify classes of problem instances for which current bounds overstate the squared parameter error, in both spectral and Frobenius norm, by a factor of the state-dimension of the system. Informed by this discrepancy, we then sharpen the OLS parameter error bounds via a novel second-order decomposition of the parameter error, where crucially the lower-order term is a
matrix-valued martingale that we show correctly captures the CLT scaling. From our analysis we obtain finite-sample bounds for both (i) stable systems and (ii) the many-trajectories setting that match the instance-specific optimal rates up to constant factors in Frobenius norm, and polylogarithmic state-dimension factors in spectral norm.
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Machine Learning
Measure Twice, Click Once: Co-evolving Proposer and Visual Critic via Reinforcement Learning for GUI Grounding
Wenkai Wang, Xiyun Li, Hongcan Guo et al. (+5 more)
Graphical User Interface (GUI) grounding requires mapping natural
language instructions to precise pixel coordinates. However, due to visually homogeneous elements and dense layouts, models typically grasp semantic intent yet struggle with achieving precise localization. While scaling sampling attempts (Pass@k) reveals potential gains, static self-consistency strategies derived from
geometric clustering often yield limited improvements, as the model's predictions tend to be spatially dispersed. In this paper, we propose replacing static consistency strategies with a learnable selection mechanism that selects the optimal target by critiquing its own proposals rendered on the screenshot. Given the significant disparity between the model's grounding and critiquing capabilities, we propose a co-evolving Propose-then-Critic framework. To jointly optimize these, we introduce a maturity-aware adaptive co-evolutionary reinforcement learning paradigm. This approach dynamically balances the training objectives of proposer and critic, where the diversity of the proposer's outputs enhances critic robustness, while the critic's maturing discrimination capability conversely unlocks the proposer's potential for extensive spatial exploration, fostering the mutual reinforcement and co-
evolution of both capabilities, thereby ensuring generalizability to adapt to diverse and complex interface layouts. Extensive experiments over 6
benchmarks show that our method significantly enhances both grounding accuracy and critic reliability.
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All authors Wenkai Wang, Xiyun Li, Hongcan Guo, Wenhao Yu, Tianqing Fang, Haitao Mi, Dong Yu, Shengyu Zhang
Machine Learning · Cross-listed from stat.ML
Calibeating Prediction-Powered Inference
Lars van der Laan and Mark Van Der Laan
We study semisupervised mean estimation with a small labeled sample, a large unlabeled sample, and a black-box prediction model whose output may be miscalibrated. A standard approach in this setting is augmented inverse-probability weighting (AIPW) [Robins et al., 1994], which protects against prediction-model misspecification but may be inefficient when the prediction score is poorly aligned with the outcome scale. We introduce Calibrated Prediction-Powered Inference, which post-hoc calibrates the prediction score on the labeled sample before using it for semisupervised estimation. This simple step requires no retraining and can calibeat the original score, improving it both as a predictor of the outcome and as a regression adjustment for semisupervised inference. We study both linear and isotonic calibration. For isotonic calibration, we establish first-order optimality guarantees: isotonic post-processing can improve predictive accuracy and
estimator efficiency relative to the original score and simpler post-processing rules, while replacing the fitted isotonic score by its conditional-mean oracle yields no additional first-order variance reduction. For linear calibration, we show first-order equivalence to PPI++. We also clarify the relationship between existing
estimators, showing that the original PPI
estimator is a special case of AIPW and can be inefficient when the prediction model is accurate, while PPI++ is AIPW with empirical efficiency maximization [Rubin and van der Laan, 2008]. In simulations and real-data experiments, our calibrated
estimators often outperform PPI and are competitive with, or outperform, AIPW and PPI++. We provide an accompanying Python package, ppi_aipw, at https://larsvanderlaan.github.io/ppi-aipw/.
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Machine Learning
Abbas Zeitoun, Lucas Torroba-Hennigen and Yoon Kim
LLM architecture research generally aims to maximize model quality subject to fixed compute/latency budgets. However, many applications of interest such as edge and on-device deployment are further constrained by the model's
memory footprint, thus motivating parameter-efficient architectures for
language modeling. This paper describes a simple architecture that improves the parameter-efficiency of LLMs. Our architecture makes use of looped
Transformers as a core primitive, which reuse
Transformer layers across depth and are thus more parameter-efficient than ordinary (depth-matched)
Transformers. We organize the looped
Transformer into three blocks–begin, middle, and end blocks–where each block itself consists of multiple
Transformer layers, and only the middle block is applied recurrently across depth. We augment the looped middle block with hyper-connections (Xie et al., 2026), which expand the residual stream into
matrix-valued residual streams. Hyper-connections are applied only after each loop, and therefore add minimal new parameters and compute cost. Across various model scales, we find that our Hyper-Connected Looped
Transformer (Hyperloop
Transformer) is able to perform well compared to depth-matched
Transformer and mHC
Transformer baselines despite using approximately 50% fewer parameters. This performance persists through post-training weight quantization, thus positioning Hyperloop
Transformers as an attractive architecture for
memory-efficient
language modeling.
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Machine Learning
Improving Performance in Classification Tasks with LCEN and the Weighted Focal Differentiable MCC Loss
Pedro Seber and Richard D. Braatz
The LASSO-Clip-EN (LCEN)
algorithm was previously introduced for nonlinear, interpretable feature selection and machine learning. However, its design and use was limited to regression tasks. In this work, we create a modified version of the LCEN
algorithm that is suitable for classification tasks and maintains its desirable properties, such as interpretability. This modified LCEN
algorithm is evaluated on four widely used binary and multiclass classification
datasets. In these experiments, LCEN is compared against 10 other model types and consistently reaches high test-set macro F$_1$ score and Matthews correlation coefficient (MCC) metrics, higher than that of the majority of investigated models. LCEN models for classification remain sparse, eliminating an average of 56% of all input features in the experiments performed. Furthermore, LCEN-selected features are used to retrain all models using the same data, leading to statistically significant performance improvements in three of the experiments and insignificant differences in the fourth when compared to using all features or other feature selection methods. Simultaneously, the weighted focal differentiable MCC (diffMCC) loss function is evaluated on the same
datasets. Models trained with the diffMCC loss function are always the best-performing methods in these experiments, and reach test-set macro F$_1$ scores that are, on average, 4.9% higher and MCCs that are 8.5% higher than those obtained by models trained with the weighted cross-
entropy loss. These results highlight the performance of LCEN as a feature selection and machine learning
algorithm also for classification tasks, and how the diffMCC loss function can train very accurate models, surpassing the weighted cross-
entropy loss in the tasks investigated.
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Machine Learning
CAP: Controllable Alignment Prompting for Unlearning in LLMs
Zhaokun Wang, Jinyu Guo, Jingwen Pu et al. (+7 more)
Large
language models (LLMs) trained on unfiltered corpora inherently risk retaining sensitive information, necessitating selective knowledge unlearning for regulatory compliance and ethical safety. However, existing parameter-modifying methods face fundamental limitations: high computational costs, uncontrollable forgetting boundaries, and strict dependency on model weight access. These constraints render them impractical for closed-source models, yet current non-invasive alternatives remain unsystematic and reliant on empirical experience. To address these challenges, we propose the Controllable
Alignment Prompting for Unlearning (CAP) framework, an end-to-end
prompt-driven unlearning paradigm. CAP decouples unlearning into a learnable
prompt optimization process via reinforcement learning, where a
prompt generator collaborates with the LLM to suppress target knowledge while preserving general capabilities selectively. This approach enables reversible knowledge restoration through
prompt revocation. Extensive experiments demonstrate that CAP achieves precise, controllable unlearning without updating model parameters, establishing a dynamic
alignment mechanism that overcomes the transferability limitations of prior methods.
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All authors Zhaokun Wang, Jinyu Guo, Jingwen Pu, Hongli Pu, Meng Yang, Xunlei Chen, Jie Ou, Wenyi Li, Guangchun Luo, Wenhong Tian
Machine Learning
Learning Dynamic Representations and Policies from Multimodal Clinical Time-Series with Informative Missingness
Zihan Liang, Ziwen Pan and Ruoxuan Xiong
Multimodal clinical records contain structured measurements and clinical notes recorded over time, offering rich temporal information about the
evolution of patient health. Yet these observations are sparse, and whether they are recorded depends on the patient's latent condition. Observation patterns also differ across modalities, as structured measurements and clinical notes arise under distinct recording processes. While prior work has developed methods that accommodate missingness in clinical time series, how to extract and use the information carried by the observation process itself remains underexplored. We therefore propose a patient representation learning framework for
multimodal clinical time series that explicitly leverages informative missingness. The framework combines (1) a
multimodal encoder that captures signals from structured and textual data together with their observation patterns, (2) a
Bayesian filtering module that updates a latent patient state over time from observed
multimodal signals, and (3) downstream modules for offline treatment policy learning and patient outcome prediction based on the learned patient state. We evaluate the framework on ICU sepsis cohorts from MIMIC-III, MIMIC-IV, and eICU. It improves both offline treatment policy learning and adverse outcome prediction, achieving FQE 0.679 versus 0.528 for clinician behavior and AUROC 0.886 for post-72-hour mortality prediction on MIMIC-III.
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Machine Learning · Cross-listed from physics.ao-ph
Assessing Emulator Design and Training for Modal Aerosol Microphysics Parameterizations in E3SMv2
Shady E. Ahmed, Hui Wan, Saad Qadeer et al. (+5 more)
Toward the goal of using Scientific Machine Learning (SciML) emulators to improve the numerical representation of aerosol processes in global atmospheric models, we explore the emulation of aerosol microphysics processes under cloud-free conditions in the 4-mode Modal Aerosol Module (MAM4) within the Energy Exascale Earth System Model version 2 (E3SMv2). To develop an in-depth understanding of the challenges and opportunities in applying SciML to aerosol processes, we begin with a simple feedforward neural network architecture that has been used in earlier studies, but we systematically examine key emulator design choices, including architecture complexity and variable normalization, while closely monitoring training convergence behavior. Our results show that optimization convergence, scaling strategy, and network complexity strongly influence emulation accuracy. When effective scaling is applied and convergence is achieved, the relatively simple architecture, used together with a moderate network size, can reproduce key features of the microphysics-induced aerosol concentration changes with promising accuracy. These findings provide practical clues for the next stages of emulator development; they also provide general insights that are likely applicable to the emulation of other aerosol processes, as well as other atmospheric physics involving multi-scale variability.
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All authors Shady E. Ahmed, Hui Wan, Saad Qadeer, Panos Stinis, Kezhen Chong, Mohammad Taufiq Hassan Mozumder, Kai Zhang, Ann S. Almgren
Machine Learning · Cross-listed from cond-mat.mtrl-sci
Neutron and X-ray Diffraction Reveal the Limits of Long-Range Machine Learning Potentials for Medium-Range Order in Silica Glass
Sai Harshit Balantrapu, Atul C. Thakur, Chris Benmore et al. (+1 more)
Glassy silica is a foundational material in optics and electronics, yet accurately predicting its medium-range order (MRO) remains a major challenge for machine-learning interatomic potentials (MLIPs). While local MLIPs reproduce the short-range SiO4 tetrahedral network well, it remains unclear whether locality alone is sufficient to recover the first sharp diffraction peak (FSDP), the principal experimental signature of MRO. Here, we combine
neutron and X-ray diffraction measurements with large-scale molecular dynamics driven by two MACE-based models: a short-range (SR) potential and a long-range (LR) extension incorporating reciprocal-space gated
attention. The SR model systematically over-structures the network, producing an overly intense FSDP in both the
liquid and glassy states. Incorporating long-range interactions improves agreement with experiment for the
liquid structure by reducing this excess ordering, but the LR model still fails to recover the experimental amorphous MRO after quenching. Ring-statistics and bond-angle analyses reveal that SR model exhibits an artificially narrow distribution dominated by six-membered rings, while the LR model produces a broader but still biased ring population. Despite preserving the correct tetrahedral geometry, both models show limited variability in Si-O-Si angles, indicating constrained network flexibility. These structural signatures demonstrate that both models retain excessive
memory of the parent
liquid network, leading to kinetically trapped and nonphysical medium-range configurations during vitrification. These results show that explicit long-range interactions are necessary but not sufficient for predictive modelling of disordered silica and suggest that accurate MRO further requires training data and sampling strategies that adequately represent the
liquid-to-glass transition.
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All authors Sai Harshit Balantrapu, Atul C. Thakur, Chris Benmore, Ganesh Sivaraman
Machine Learning · Cross-listed from cs.CV
Sparse Forcing: Native Trainable Sparse Attention for Real-time Autoregressive Diffusion Video Generation
Boxun Xu, Yuming Du, Zichang Liu et al. (+7 more)
We introduce Sparse Forcing, a training-and-inference paradigm for autoregressive
video diffusion models that improves long-horizon generation quality while reducing decoding latency. Sparse Forcing is motivated by an empirical observation in autoregressive
diffusion rollouts:
attention concentrates on a persistent subset of salient visual blocks, forming an implicit spatiotemporal
memory in the KV cache, and exhibits a locally structured block-sparse pattern within sliding windows. Building on this observation, we propose a trainable native sparsity mechanism that learns to compress, preserve, and update these persistent blocks while restricting computation within each local window to a dynamically selected local neighborhood. To make the approach practical at scale for both training and inference, we further propose Persistent Block-Sparse
Attention (PBSA), an efficient GPU kernel that accelerates sparse
attention and
memory updates for low-latency,
memory-efficient decoding. Experiments show that Sparse Forcing improves the VBench score by +0.26 over Self-Forcing on 5-second text-to-
video generation while delivering a 1.11-1.17x decoding speedup and 42% lower peak KV-cache footprint. The gains are more pronounced on longer-horizon rollouts, delivering improved visual quality with +0.68 and +2.74 VBench improvements, and 1.22x and 1.27x speedups on 20-second and 1-minute generations, respectively.
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All authors Boxun Xu, Yuming Du, Zichang Liu, Siyu Yang, Ziyang Jiang, Siqi Yan, Rajasi Saha, Albert Pumarola, Wenchen Wang, Peng Li
Machine Learning
The Recurrent Transformer: Greater Effective Depth and Efficient Decoding
Costin-Andrei Oncescu, Depen Morwani, Samy Jelassi et al. (+3 more)
Transformers process
tokens in parallel but are temporally shallow: at position $t$, each layer attends to key-value pairs computed based on the previous layer, yielding a depth capped by the number of layers. Recurrent models offer unbounded temporal depth but suffer from optimization instability and historically underutilize modern accelerators. We introduce the Recurrent
Transformer, a simple architectural change where each layer attends to key-value pairs computed off its own activations, yielding layerwise recurrent
memory while preserving standard autoregressive decoding cost. We show that the architecture can emulate both (i) a conventional
Transformer and (ii)
token-to-
token recurrent updates under mild assumptions, while avoiding optimization instability. Naively, prefill/training appears bandwidth-bound with effective arithmetic intensity near $1$ because keys and values are revealed sequentially; we give an exact tiling-based
algorithm that preserves the mathematical computation while reducing HBM traffic from $\Theta(N^2)$ to $\Theta(N\log N)$, increasing effective arithmetic intensity to $\Theta(N/\log N)$ for sequence length $N$. On 150M and 300M parameter C4 pretraining, Recurrent
Transformers improve cross-
entropy over a parameter-matched
Transformer baseline and achieve the improvement with fewer layers (fixed parameters), suggesting that recurrence can trade depth for width, thus reducing KV cache
memory footprint and inference latency.
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All authors Costin-Andrei Oncescu, Depen Morwani, Samy Jelassi, Alexandru Meterez, Mujin Kwun, Sham Kakade
Machine Learning · Cross-listed from quant-ph
The Feedback Hamiltonian is the Score Function: A Diffusion-Model Framework for Quantum Trajectory Reversal
Sagar Dubey and Alan John
In continuously monitored
quantum systems, the feedback protocol of García-Pintos, Liu, and Gorshkov reshapes the arrow of time: a
Hamiltonian $H_{\mathrm{meas}} = r A / \tau$ applied with gain $X$ tilts the distribution of measurement trajectories, with $X < -2$ producing statistically time-reversed outcomes. Why this specific
Hamiltonian achieves reversal, and how the mechanism relates to score-based
diffusion models in machine learning, has remained unexplained. We compute the functional derivative of the log path probability of the
quantum trajectory distribution directly in density-
matrix space. Combining Girsanov's
theorem applied to the measurement record, Fréchet differentiation on the
Banach space of trace-class operators, and Kähler geometry on the pure-state projective
manifold, we prove that $\delta \log P_F / \delta \rho = r A / \tau = H_{\mathrm{meas}}$. The García-Pintos feedback
Hamiltonian is the score function of the
quantum trajectory distribution – exactly the object Anderson's reverse-time
diffusion theorem requires for trajectory reversal. The identification extends to multi-
qubit systems with independent measurement channels, where the score is a sum of local operators. Two consequences follow. First, the feedback gain $X$ generates a continuous one-parameter family of path measures (for feedback-active
Hamiltonians with $[H, A] \neq 0$), with $X = -2$ recovering the backward process in leading-order linearization – a structure absent from classical
diffusion, where reversal is binary. Second, the score identification enables machine learning (ML) score estimation methods – denoising score matching, sliced score matching – to replace the analytic formula when its idealizations (unit efficiency, zero delay, Gaussian noise) fail in real experiments.
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Machine Learning · Cross-listed from stat.ML
Refining Covariance Matrix Estimation in Stochastic Gradient Descent Through Bias Reduction
Ziyang Wei, Wanrong Zhu, Jingyang Lyu et al. (+1 more)
We study online inference and asymptotic covariance estimation for the
stochastic gradient descent (SGD)
algorithm. While classical methods (such as plug-in and batch-means
estimators) are available, they either require inaccessible second-order (Hessian) information or suffer from slow convergence. To address these challenges, we propose a novel, fully online de-biased covariance
estimator that eliminates the need for second-order derivatives while significantly improving estimation accuracy. Our method employs a bias-reduction technique to achieve a convergence rate of $n^{(\alpha-1)/2} \sqrt{\log n}$, outperforming existing Hessian-free alternatives.
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All authors Ziyang Wei, Wanrong Zhu, Jingyang Lyu, Wei Biao Wu
Machine Learning
ARFBench: Benchmarking Time Series Question Answering Ability for Software Incident Response
Stephan Xie, Ben Cohen, Mononito Goswami et al. (+6 more)
Time series question-answering (TSQA), in which we ask natural
language questions to infer and reason about properties of time series, is a promising yet underexplored capability of foundation models. In this work, we present ARFBench, a TSQA
benchmark that evaluates the understanding of
multimodal foundation models (FMs) on time series anomalies prevalent in software incident data. ARFBench consists of 750 questions across 142 time series and 5.38M data points from 63 production incidents sourced exclusively from internal telemetry at Datadog. We evaluate leading proprietary and open-source LLMs, VLMs, and time series FMs and observe that frontier VLMs perform markedly better than existing baselines; the leading model (GPT-5) achieves a 62.7% accuracy and 51.9% F1. We next demonstrate the promise of specialized
multimodal approaches. We develop a novel TSFM + VLM hybrid prototype which we post-train on a small set of synthetic and real data that yields comparable overall F1 and accuracy with frontier models. Lastly, we find models and human domain experts exhibit complementary strengths. We define a model-expert oracle, a best-of-2 oracle selector over model and expert answers, yielding 82.8% F1 and 87.2% accuracy and establishing a new superhuman frontier for future TSQA models. The
benchmark is available at https://huggingface.co/
datasets/Datadog/ARFBench.
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All authors Stephan Xie, Ben Cohen, Mononito Goswami, Junhong Shen, Emaad Khwaja, Chenghao Liu, David Asker, Othmane Abou-Amal, Ameet Talwalkar
Machine Learning
Toward Efficient Membership Inference Attacks against Federated Large Language Models: A Projection Residual Approach
Guilin Deng, Silong Chen, Yuchuan Luo et al. (+6 more)
Federated Large
Language Models (FedLLMs) enable multiple parties to collaboratively fine-tune LLMs without sharing raw data, addressing challenges of limited resources and
privacy concerns. Despite data localization, shared gradients can still expose sensitive information through membership inference attacks (MIAs). However, FedLLMs' unique properties, i.e. massive parameter scales, rapid convergence, and sparse, non-orthogonal gradients, render existing MIAs ineffective. To address this gap, we propose ProjRes, the first projection residuals-based passive MIA tailored for FedLLMs. ProjRes leverages hidden
embedding vectors as sample representations and analyzes their projection residuals on the gradient subspace to uncover the intrinsic link between gradients and inputs. It requires no shadow models, auxiliary classifiers, or historical updates, ensuring efficiency and robustness. Experiments on four
benchmarks and four LLMs show that ProjRes achieves near 100% accuracy, outperforming prior methods by up to 75.75%, and remains effective even under strong differential
privacy defenses. Our findings reveal a previously overlooked
privacy vulnerability in FedLLMs and call for a re-examination of their security assumptions. Our code and data are available at $\href{https://anonymous.4open.science/r/Passive-MIA-5268}{link}$.
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All authors Guilin Deng, Silong Chen, Yuchuan Luo, Yi Liu, Songlei Wang, Zhiping Cai, Lin Liu, Xiaohua Jia, Shaojing Fu
Machine Learning
Graph Neural Network-Informed Predictive Flows for Faster Ford-Fulkerson and PAC-Learnability
Eleanor Wiesler and Trace Baxley
We propose a learning-augmented framework for accelerating max-flow computation and image
segmentation by integrating Graph Neural Networks (GNNs) with the Ford-Fulkerson
algorithm. Rather than predicting initial flows, our method learns edge importance probabilities to guide augmenting path selection. We introduce a Message Passing GNN (MPGNN) that jointly learns node and edge
embeddings through coupled updates, capturing both global structure and local flow dynamics such as residual capacity and bottlenecks. Given an input image, we propose a method to construct a grid-based flow network with source and sink nodes, extract features, and perform a single GNN inference to assign edge probabilities reflecting their likelihood of belonging to high-capacity cuts. These probabilities are stored in a priority queue and used to guide a modified Ford-Fulkerson procedure, prioritizing augmenting paths via an Edmonds-Karp-style search with bottleneck-aware tie-breaking. This avoids repeated inference over residual graphs while leveraging learned structure throughout optimization. We further introduce a bidirectional path construction strategy centered on high-probability edges and provide a theoretical framework relating prediction quality to efficiency via a weighted permutation distance metric. Our method preserves max-flow/min-cut optimality while reducing the number of augmentations in practice. We also outline a hybrid extension combining flow warm-starting with edge-priority prediction, establishing a foundation for learning-guided combinatorial optimization in image
segmentation.
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