探索全球前沿学术脉络

01.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2606.12065

Automating Geometry-Intensive Compliance Checking in BIM: Graph-Based Semantic Reasoning Framework

作者:

Zixuan Xiao↗Pei Troh Koh↗Jun Ma↗Jack C. P. Cheng↗

arXiv:2606.12065v1 Announce Type: new Abstract: Automating compliance check for geometry-intensive regulations remains a significant technical bottleneck in Building Information Modeling (BIM), primarily due to the semantic disparity between high-level regulatory logic and structured IFC data. Existing methods, often reliant on static rule templates, struggle to traverse multi-hop reasoning chains or resolve latent spatial dependencies across multiple building entities. To address these challenges, a Spatial-Geometric Reasoning System for Building Information Modeling (SGR-BIM) is proposed as an integrative graph-driven reasoning framework. SGR-BIM dynamically constructs a cross-modal knowledge graph that aligns user intent, regulatory semantics, and BIM geometry, enabling interpretable reasoning without rigid hard-coding. Validated on 679 expert-verified queries from fire safety codes, the framework achieves 84.3% accuracy, representing an 8.6% improvement over enhanced-tool single-agent baselines. This research provides a graph-based semantic reasoning paradigm, enhancing the transparency and flexibility of automated geometric compliance check workflows in the Architecture, Engineering, and Construction (AEC) industry.

阅读与讨论 → 访问原文 →

02.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.12679

Fed-FBD: Federated Functional Block Diversification for Isolation, Privacy, and Surgical Unlearning

作者:

Weijie Chen↗Alan B. McMillan↗

arXiv:2606.12679v1 Announce Type: new Abstract: Federated learning (FL) enables collaborative model training without sharing raw patient data, but standard approaches such as FedAvg treat each client as a black box and provide no mechanism for isolating an adversarial contributor, auditing per-client influence, or honoring a departed participant's right to be forgotten. We present Fed-FBD (Federated Functional Block Diversification), a modular federated architecture that decomposes a ResNet backbone into six functional blocks (the stem, four residual groups, and the classification head) and maintains a warehouse of N color variants, each assembled from independently tracked and contributor-stamped blocks. Fed-FBD provides three capabilities absent in FedAvg: (i) architecturally guaranteed block-level isolation, so that an adversarial or mislabelled client cannot contaminate the clean colous; (ii) privacy-by-design, where membership inference advantage is already indistinguishable from chance before any privacy mechanism is applied; and (iii) surgical machine unlearning of a departed participant's contribution at sub-second cost and without retraining. Experiments on six MedMNIST-2D datasets, PathMNIST at 224x224, and CIFAR-10 show that Fed-FBD trades a modest 0.3%-3.1% IID accuracy gap on the adequately sized datasets for these guarantees, remains within 0.8%-4.0% of FedAvg at Dirichlet alpha=1.0 on three of four datasets, and confines all six adversarial attacks we study to the poisoned client's own blocks with at most +/-0.01 AUC drift on the clean colors.

阅读与讨论 → 访问原文 →

03.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2602.02726

Vector Quantized Latent Concepts: A Scalable Alternative to Clustering-Based Concept Discovery

作者:

Xuemin Yu↗Ankur Garg↗Samira Ebrahimi Kahou↗Hassan Sajjad↗

Large language models (LLMs) encode rich semantic information in their hidden states, yet it remains difficult to understand what information these internal representations capture. Latent concepts extracted from hidden states offer a promising direction for interpreting LLMs, but existing clustering-based methods face a trade-off: hierarchical clustering produces coherent concepts but is limited to small datasets due to its quadratic memory cost, while K-Means scales efficiently but may yield less semantically coherent concepts. We propose Vector Quantized Latent Concept (VQLC), a discrete concept learning framework that learns a codebook of latent concepts on frozen hidden states. Across 12 dataset-model settings, VQLC stays close to K-Means in computational cost, scales better than hierarchical clustering, and remains competitive in faithfulness, with the clearest gains on decoder-only models. LLMs-based evaluation, qualitative analysis, and a Sparse Autoencoder (SAE) comparison demonstrate that the learned concepts are interpretable and task-relevant.

阅读与讨论 → 访问原文 →

04.

medRxiv (Medicine) 2026-06-11 DOI: HASH:1562585bf27424431b9d1ee0793939b3

Population-scale detection of methylation outliers from long-read genome sequencing

作者:

Jensen↗T. D↗Kaur↗Bonner↗D. E↗Nguyen↗Reuter↗C. M↗Undiagnosed Diseases Network↗Genomics Research to Elucidate the Genetics of Rare Diseases Consortium↗Ashley↗E. A↗…

Background: Aberrant DNA methylation can mediate the functional effects of rare genetic variation and contribute to imprinting disorders, repeat expansion diseases, and other pathogenic regulatory mechanisms. Long-read sequencing technologies now enable genome-wide detection of CpG methylation alongside genetic variation from a single assay. However, methods for systematic identification and interpretation of methylation outliers from long-read sequencing data remain limited. Methods: We developed METAFORA, a computational workflow for detecting methylation outlier regions from PacBio and Oxford Nanopore long-read sequencing data. METAFORA constructs population-level methylation references, segments the genome into correlated CpG blocks, infers technical and biological sources of variation through hidden factor estimation, models uncertainty due to variable depth sequencing, and computes covariate-adjusted methylation outlier scores for individual samples. We applied METAFORA across large long-read sequencing cohorts and integrated methylation outliers with multi-omic data. METAFORA is implemented as a snakemake workflow available at https://github.com/tjense25/METAFORA. Results: METAFORA identified methylation outlier regions associated with rare structural variants, tandem repeat expansions, and imprinting abnormalities. We found outlier regions were enriched for molecular outliers across transcriptomic and chromatin accessibility datasets, supporting their functional relevance in gene regulation. In a representative case, METAFORA identified an imprinting defect affecting the GNAS locus associated with an STX16 deletion. Conclusions: METAFORA enables scalable detection and interpretation of methylation outliers from long-read sequencing data and provides a framework for integrating epigenetic outliers with genomic and multi-omic analyses. These approaches may improve interpretation of rare regulatory variation and support discovery of clinically relevant epigenetic abnormalities in genomic medicine.

阅读与讨论 → 访问原文 →

05.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15217

Conformal Candidate Certification for Offline Model-Based Optimization

作者:

Seungjin Choi↗

arXiv:2606.15217v1 Announce Type: cross Abstract: Offline model-based optimization (MBO) proposes candidates by optimizing a surrogate trained on a fixed historical dataset. Because candidates are deliberately out-of-distribution, surrogate rankings are least reliable exactly where the optimizer is most aggressive, yet existing methods provide no per-candidate statistical certificate that a design meets a target threshold. We propose Conformal Candidate Certification (CCC), a post-hoc wrapper that attaches a calibrated one-sided lower bound to each candidate and advances only those whose bound exceeds the target. We show that entropy-regularized surrogate maximization induces a Gibbs-tilted proposal, so the same surrogate supplies importance weights for weighted conformal prediction without a separate density-ratio estimation step. In a controlled synthetic study, CCC certifies $16.7\%$ of an aggressive proposal pool with empirical coverage 0.990 at nominal 0.90, while standard conformal prediction ignoring the covariate shift collapses to 0.416 coverage.

阅读与讨论 → 访问原文 →

06.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2602.06774

Towards Understanding What State Space Models Learn About Code

作者:

Jiali Wu↗Abhinav Anand↗Shweta Verma↗Mira Mezini↗

arXiv:2602.06774v2 Announce Type: replace Abstract: State Space Models (SSMs) have emerged as an efficient alternative to the Transformer architecture. Prior work shows that, when trained under comparable conditions, SSMs can match or surpass Transformers on code understanding tasks. However, their internal mechanisms remain a black box. We present the first systematic analysis of what SSM-based code models learn along with the direct comparison between SSM and Transformer models in this domain. Our analysis shows that SSMs capture syntactic and semantic structure more effectively than Transformers during pretraining but forgets certain relations during fine-tuning on some tasks. To investigate this behavior, we introduce SSM-Interpret, a frequency-domain framework that exposes a spectral shift toward short-range dependencies during fine-tuning. Guided by these findings, we propose architectural modifications that significantly improve the performance of SSM-based code model by upto +6 MRR on NLCodeSearch. This demonstrates that our analysis not only explains model behavior but also leads directly to better designs.

阅读与讨论 → 访问原文 →

07.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15512

Towards Data-Efficient Cross-Device Generalization of Grad-Shafranov Equilibria via Transfer Learning Neural Operator

作者:

Jay Phil Yoo↗William Howes↗Yashika Ghai↗Kazuma Kobayashi↗Souvik Chakraborty↗Syed Bahauddin Alam↗

arXiv:2606.15512v1 Announce Type: new Abstract: Real-time reconstruction of magnetohydrodynamic equilibria is essential for plasma shaping, stability assessment and feedback control in magnetic confinement fusion. However, Grad-Shafranov equilibrium calculations remain largely device-specific and iterative, limiting their use in latency-constrained control settings. Existing neural approaches can accelerate individual equilibrium predictions, but they do not generally provide reusable models across changing plasma boundaries or tokamak geometries. Here we show that equilibrium reconstruction can be recast as a cross-device operator learning problem. We develop a domain-specific neural operator framework that maps geometry and profile parameters directly to the poloidal flux field, replacing repeated solve-on-demand computation with amortized operator inference. Using the analytically tractable Solov'ev family as a controlled Grad-Shafranov testbed, we generate equilibria across eight geometrically distinct tokamak-like configurations and benchmark five neural operator architectures under four transfer-learning strategies. Single-geometry pretraining gives poor transfer to unseen devices, whereas multi-geometry pretraining enables data-efficient adaptation. The Wavelet Neural Operator gives the strongest cross-geometry performance, reaching mean relative L2 errors below 4% with 100 labelled target equilibria and below 2% with full fine-tuning. The predicted magnetic fields satisfy the divergence-free constraint to numerical precision, and four architectures achieve millisecond or sub-millisecond inference. These results identify neural operator pretraining as a route towards reusable, real-time equilibrium inference across fusion device configurations.

阅读与讨论 → 访问原文 →

08.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.16826

ATOM-Bench: A Real-World Benchmark for Atomic Skills and Compositional Generalization in Manipulation Policies

作者:

Zenan Wu↗Bingqing Wei↗Lu Liu↗Zheqi He↗Xi Wang↗Jiakang Liu↗Zehui Li↗Guocai Yao↗Jing-Shu Zheng↗Xi Yang↗Yongtao Wang↗

arXiv:2606.16826v1 Announce Type: cross Abstract: Generalist manipulation policies are increasingly presented as foundation models for robotic control, but their real-world generalization remains difficult to diagnose. A policy may succeed on demonstrated tasks while still failing to execute fine-grained atomic skills or recombine learned skills in new task structures. We introduce ATOM-Bench, a real-world benchmark for evaluating both atomic skills and compositional generalization in manipulation policies. ATOM-Bench factorizes tabletop manipulation into motor atoms and instruction atoms, and contains 30 atomic tasks and 24 held-out compositional tasks across paired single-arm and dual-arm robot tracks. We collect 3,000 human demonstrations for atomic fine-tuning and release both the demonstration data and evaluation rollout data to support reproducible real-world evaluation. Policies are fine-tuned on atomic tasks and evaluated on both atomic skill acquisition and held-out compositional tasks. We further introduce Atomic Score (AS) and Compositional Failure Share (CFS) to distinguish failures caused by weak atomic skills from failures caused by limited compositional reuse. Through 2,700 physical rollouts on five representative manipulation policies, we find that current policies can acquire simple instruction-grounding skills, but still struggle with fine-grained motor atoms, counting, and logical filtering. More importantly, strong atomic performance does not reliably transfer to held-out compositional tasks. ATOM-Bench provides a diagnostic testbed for studying whether failures arise from weak motor execution, poor instruction grounding, or limited compositional reuse.

阅读与讨论 → 访问原文 →

09.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.17874

Revisiting Structural Dependency in Autoregressive Multi-Task Table Recognition via Order-Independent Cell-Level Representations

作者:

Takaya Kawakatsu↗

Multi-task table recognition jointly addresses table structure prediction, cell localization, and cell content recognition within a unified framework. Existing approaches often rely on autoregressive decoders to generate table structures and reuse their hidden states for cell localization and content recognition. This autoregressive generation process can make cell representations order-dependent, degrading global consistency across cells. This paper proposes a structural refinement module that produces order-independent cell features through non-causal attention. This design enables parallel inference of cell contents while conditioning each cell on global context encoded in the refined features. Experiments on two large datasets demonstrate consistent gains in cell localization and end-to-end recognition, while reducing overall inference time by around threefold.

阅读与讨论 → 访问原文 →

10.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2603.02668

SorryDB: Can AI Provers Complete Real-World Lean Theorems?

作者:

Austin Letson↗Leopoldo Sarra↗Auguste Poiroux↗Oliver Dressler↗Paul Lezeau↗Dhyan Aranha↗Frederick Pu↗Aaron Hill↗Miguel Corredera Hidalgo↗Julian Berman↗George Tsoukalas↗Lenny Taelman↗…

arXiv:2603.02668v2 Announce Type: replace Abstract: We present SorryDB, a dynamically-updating benchmark of open Lean tasks drawn from 78 real world formalization projects on GitHub. Unlike existing static benchmarks, often composed of competition problems, hillclimbing the SorryDB benchmark will yield tools that are aligned to the community needs, more usable by mathematicians, and more capable of understanding complex dependencies. Moreover, by providing a continuously updated stream of tasks, SorryDB mitigates test-set contamination and offers a robust metric for an agent's ability to contribute to novel formal mathematics projects. We evaluate a collection of approaches, including generalist large language models, agentic approaches, and specialized symbolic provers, over a selected snapshot of 1000 tasks from SorryDB. We show that current approaches are complementary: even though an agentic approach based on Gemini Flash is the most performant, it is not strictly better than other off-the-shelf large-language models, specialized provers, or even a curated list of Lean tactics.

阅读与讨论 → 访问原文 →

11.

arXiv (quant-ph) 2026-06-11 DOI: arXiv:2606.11608

Mach's principle in atomic transitions

作者:

Subhajit Barman↗Bibhas Ranjan Majhi↗

arXiv:2606.11608v1 Announce Type: new Abstract: We investigate the atomic transition probabilities in atom-mirror set-ups that are in circular motion. In one scenario, the atom is in circular motion inside a static cylindrical mirror. In the other scenario, the cylindrical mirror rotates around its central axis while the atom remains static. We report structural similarity in the atomic transition probabilities between these two cases – these probabilities are equivalent upon interchanging the field frequencies between the two scenarios. We interpret such an observation as a semi-classical phenomenon analogous to the classical Mach's principle.

阅读与讨论 → 访问原文 →

12.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2605.31506

Evaluating Factual Density in Multi-Source RAG: A Study in Medical AI Accuracy

作者:

Michael R. DeMarco↗

Retrieval-Augmented Generation (RAG) is the current industry standard for grounding AI in real-world facts. Traditional retrieval methods rely on keyword matching and topic proximity, ranking content based on how closely it sounds like the user's query. What they do not measure is how many verified facts the content actually contains. This structural gap, termed the Expert Blindness Effect, causes standard RAG pipelines to consistently bury high-density factual evidence in favor of lexically dominant text on the same topic. To address this gap, this paper introduces Factual Density (FD*), a novel retrieval optimization signal that measures the proportion of verified atomic claims relative to total token count. Using the NexusAgentics Ghost Audit preprocessing pipeline, raw text is scored for factual specificity using probabilistic factuality analysis to filter content before corpus ingestion. An initial formulation introduced a severe document-length confound (Pearson R = -0.8636, p = 2.27e-07). Implementing Z-score normalization within length bins resolved this bias, validating FD* as a length-independent density signal (p = 0.0749). Evaluated against the HealthFC benchmark (750 health claims labeled Supported, Refuted, or No Evidence by medical experts), FD*-optimized retrieval was the only condition to achieve 100% systematic review saturation in top-5 results, surfacing Cochrane evidence that standard cosine similarity ranked outside the top ten. Ground truth verification confirmed 25 mappings across seven HealthFC-supported claims. While full statistical validation across n=50 queries remains future work due to constraints on corpus-benchmark alignment, these findings establish factual density reranking as a low-cost, high-impact intervention for improving factual precision in health RAG architectures.

阅读与讨论 → 访问原文 →

13.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2511.08577

Think-at-Hard: Selective Latent Iterations to Improve Reasoning Language Models

作者:

Tianyu Fu↗Yichen You↗Zekai Chen↗Guohao Dai↗Huazhong Yang↗Yu Wang↗

Improving the reasoning abilities of Large Language Models (LLMs), especially under parameter constraints, is crucial for real-world applications. Looped transformers address this by performing multiple latent iterations to refine each token beyond a single forward pass. However, we identify a latent overthinking phenomenon: most token predictions are already correct after the first pass, but are sometimes revised into errors in later iterations. We ask whether selectively skipping latent iterations can improve accuracy, and reveal significant potential with an oracle iteration policy that boosts performance by up to 7.3%. Motivated by this, we propose Think-at-Hard (TaH), a looped transformer optimized for selective iteration. TaH employs a lightweight neural decider to trigger latent iteration, only at tokens likely to be incorrect after the standard forward pass. During latent iterations, depth-aware Low-Rank Adaptation (LoRA) modules shift the objective from general next-token prediction to focused hard-token refinement. A duo-causal attention mechanism extends attention from the token sequence dimension to an additional iteration depth dimension, enabling cross-iteration information flow with full sequential parallelism. Experiments on nine benchmarks show consistent gains across math, QA, and coding tasks. With identical parameter counts, TaH outperforms always-iterate baselines by 3.8-4.4% while skipping iterations on 93% of tokens, and exceeds single-iteration Qwen3 baselines by 3.0-3.8%. When allowing

阅读与讨论 → 访问原文 →

14.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.08270

An AI Security Agent for University ACMIS: Multi-Vector Threat Detection and Automated Response

作者:

Joseph Walusimbi↗Joshua Benjamin Ssentongo↗

arXiv:2606.08270v2 Announce Type: replace-cross Abstract: University Academic Management Information Systems (ACMIS) are high-value targets for a wide spectrum of security threats including brute-force login attacks, payment fraud, privilege escalation, insider data theft, and academic integrity violations. Traditional rule-based intrusion detection systems are inadequate because many malicious activities are structurally indistinguishable from normal operations. This paper presents an AI-based security agent for ACMIS that combines supervised anomaly detection, behavioural analytics, and a natural language processing chatbot for secure password recovery. The agent monitors five operational layers: authentication, authorisation, financial transactions, user behaviour, and system health, and responds through a four-tier risk escalation framework. A modular architecture allows the core engine to be extended to other institutional systems. Experiments on a simulated ACMIS event log dataset of 147,922 sessions demonstrate a threat detection macro-average F1 of 0.966, compared to 0.156 for a rule-based baseline and 0.836 for a sequence-only (LSTM) baseline, with end-to-end critical-tier automated response latency under 1 ms on a single-node prototype. The integrated recovery chatbot achieves 97.1 percent identity verification accuracy and an 87.3 percent mass-reset attack detection rate with zero false positives on legitimate high volume recovery periods.

阅读与讨论 → 访问原文 →

15.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2606.13572

ArogyaSutra: A Multi-Agent Framework for Multimodal Medical Reasoning in Indic Languages

作者:

Tanmoy Kanti Halder↗Akash Ghosh↗Subhadip Baidya↗Arijit Roy↗Sriparna Saha↗

Multimodal Large Language Models (MLLMs) have shown promising reasoning capabilities in general domains, yet their performance remains limited in specialized settings such as healthcare, especially in multilingual and low-resource scenarios. This gap is critical in regions like rural India, where patients often express complex medical queries in native Indic languages and rely on multimodal inputs such as medical images. Existing English-centric MLLMs struggle to support such use cases, limiting equitable access to AI-driven healthcare assistance. To address this challenge, we introduce ArogyaBodha, a large-scale multilingual multimodal medical question-answer dataset constructed from eight heterogeneous sources, covering 31 body systems, six imaging modalities, and 21 clinical domains across English and seven major Indian languages. We further propose ArogyaSutra, an actor-critic-based multi-agent framework that integrates tool grounding with dual-memory mechanisms for step-wise, reasoning-aware decision making, and uses stored actor-critic simulation trajectories for distillation. Experiments show that our dataset and framework improve multilingual medical reasoning accuracy across all Indic languages, with ablations validating the contribution of each component. The source code and dataset are available at: https://iitp-cse.github.io/ ArogyaSutra/

阅读与讨论 → 访问原文 →

16.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19787

ORAgentBench: Can LLM Agents Solve Challenging Operations Research Tasks End to End?

作者:

Jiajun Li↗Mingshu Cai↗Yixuan Li↗Yu Ding↗Ran Hou↗Guanyu Nie↗Xiongwei Han↗Wanyuan Wang↗

arXiv:2606.19787v1 Announce Type: new Abstract: Large language models are increasingly deployed as autonomous agents for multi-step tasks in executable environments, yet their ability to perform realistic operations research (OR) work remains unclear. Existing OR evaluations often decouple modeling from solving, rely on pre-formalized or text-only instances, and rarely test the full workflow from operational artifacts to validated decisions. In this work, we introduce ORAgentBench, an execution-grounded benchmark for evaluating autonomous agents on challenging end-to-end operations research tasks. It contains 107 human-reviewed tasks across diverse operational scenarios, each packaged in an isolated environment with a natural-language brief, multi-file data, configuration artifacts, and a required submission schema. Agents must write and run solution code, and their submissions are evaluated by hidden validators for schema validity, hard-constraint feasibility, and normalized objective quality. Experiments with fourteen frontier agent-model configurations show that current agents remain far from reliable OR practice. The best agent passes only 35.51% of all tasks and 20.59% of hard tasks, and many feasible submissions still fall below the required quality threshold. Failure analysis further shows that errors are dominated by strategic weaknesses, including missed operational rules, brittle formulations, weak feasible-solution construction, and insufficient solution improvement. OR-specific procedural skills increase hard-task feasibility, but do not reliably improve solution quality or pass rate. These results suggest that progress in OR agents requires moving beyond plausible optimization code toward dependable, high-quality operational decision-making.

阅读与讨论 → 访问原文 →

17.

arXiv (CS.CL) 2026-06-17 DOI: arXiv:2606.17786

Toward Accessible Psychotherapy Training Using AI-Driven Interactive Patient Avatars

作者:

Pascal Riachi↗Sofie Kamber↗Stella Brogna↗Andrew Gloster↗Rafael Wampfler↗

Training psychotherapists in evidence-based interventions such as Acceptance and Commitment Therapy (ACT) requires repeated practice with meaningful feedback, yet opportunities for safe, standardized training are limited by ethical, logistical, and resource constraints. We introduce a system designed to support ACT-oriented psychotherapy training through spoken dialogue with an embodied virtual patient. The system uses large language models to simulate patient behavior conditioned on profiles derived from real therapy sessions and configurable clinical scenarios, while a separate automated evaluator provides turn-by-turn feedback on therapist responses based on established ACT fidelity criteria. Rather than aiming to replace supervision, the system is intended to support deliberate practice by enabling experimentation, reflection, and immediate feedback in low-risk settings. Expert evaluation with practicing psychologists confirmed high realism in patient behavior and demonstrated that immediate turn-by-turn ACT feedback increased therapists' awareness of intervention choices and enabled effective experimentation with alternative responses. Quantitative evaluation across 49 therapy transcripts identified GPT-4o-mini as the optimal feedback model, achieving the lowest mean absolute error (MAE = 6.12) in replicating human supervisor ACT fidelity ratings with statistically significant agreement. This work demonstrates the potential of fidelity-aware simulated patients as a scalable complement to psychotherapy training.

阅读与讨论 → 访问原文 →

18.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2604.23874

Deep Learning of Solver-Aware Turbulence Closures from Nudged LES Dynamics

作者:

Ashwin Suriyanarayanan↗Dibyajyoti Chakraborty↗Romit Maulik↗

arXiv:2604.23874v3 Announce Type: replace-cross Abstract: The differentiable physics paradigm may be leveraged as an a-posteriori approach for discovering turbulence closure models by embedding a neural network parameterization directly inside the solver and optimizing it given potentially sparse target data. This addresses a key limitation of a-priori learning where direct numerical simulation (DNS) data is used to approximate the subgrid stress with the assumption of a low-pass filter. Closures trained in this a-priori manner frequently lead to unstable deployments due to the mismatch between the assumed filter and the effect of numerical discretizations and coarse-graining. In comparison, while typically stable during deployment, a-posteriori learning incurs high computational costs due to the need to backpropagate through a large eddy simulation (LES) solver. Furthermore, a-posteriori methods are challenging to apply broadly since they require significant modification of existing solvers. Finally, both approaches are limited when generalization is desired across different numerical schemes with their implicit filtering characteristics. In this work, we present a deep-learning approach for turbulence closure modeling built on the continuous data assimilation framework. Our approach enables the a-priori training of closures using sparsely observed DNS data without modifying or differentiating through the LES solver, while preserving stability during deployment for the recovery of invariant statistics. We focus on the model's ability to adapt to different discretizations by explicitly conditioning it on the numerical scheme. We use two- and three-dimensional canonical cases to test our framework and show that the learned correction systematically tracks the discretization error of the coarse solver.

阅读与讨论 → 访问原文 →

19.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18936

SciRisk-Bench: A Risk-Dimension-Aware Benchmark for AI4Science Safety

作者:

Linghao Feng↗Yinqian Sun↗Dongqi Liang↗Sicheng Shen↗Chenfei Yan↗Yuxuan Peng↗Yilin Zhao↗Haibo Tong↗Kai Li↗FeiFei Zhao↗Yi Zeng↗

arXiv:2606.18936v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly embedded in AI for Science (AI4Science) workflows, from scientific question answering and literature analysis to laboratory planning and autonomous discovery. This progress creates an urgent need for safety benchmarks that evaluate not only scientific competence, but also whether models recognize and avoid risks in high-stakes scientific contexts. Existing AI4Science safety datasets cover several disciplines and task formats, leaving the underlying risk dimensions underspecified. We introduce SciRisk-Bench, a benchmark designed to evaluate AI4Science safety from two complementary perspectives: explicit risk dimensions and scientific disciplines. SciRisk-Bench covers 7 disciplines, 31 subdisciplines and 10 risk dimensions. In the experimental section, we evaluate both mainstream LLMs and science-oriented LLMs across risk dimensions, disciplines, and sub-disciplines, enabling fine-grained diagnosis of where scientific models remain unsafe.

阅读与讨论 → 访问原文 →

20.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2606.18439

RegimeVGGT: Layer-Wise Spatially Preserving Redundancy Removal for Visual Geometry Grounded Transformer

作者:

Jinhao You↗Shuo Lyu↗Zhuohang Lyu↗Tanxuan Li↗Zibo Zhao↗Jiaxiang Hu↗Kai Tang↗Yichen Guo↗

Visual Geometry Grounded Transformer (VGGT) recovers dense 3D scene structure from multi-view images in one forward pass, but quadratic cross-frame attention limits its scalability. Existing training-free accelerators reduce computation uniformly along one axis, missing layer heterogeneity. Our spectral, probing, and causal analyses reveal three regimes: shallow layers lack cross-view structure, middle layers drive cross-view alignment, and deep layers are redundant for dense geometry yet their cross-frame attention remains essential for pose. RegimeVGGT applies layer-wise U-shaped compression along two axes: Saliency-Guided Banded Merging protects geometry- and edge-salient tokens, while Selectively Protected K/V Downsampling preserves cross-frame spatial coverage and the pose-critical path through a phase-shifted spatial grid, a reference-frame anchor, and uncompressed camera/register tokens. Training-free, RegimeVGGT achieves a 6.7x speedup over VGGT* at matched reconstruction quality.

阅读与讨论 → 访问原文 →

21.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.12651

Physics-Aware Auxiliary Losses Improve Out-of-Distribution Generalization of a GNN Synthesizability Filter

作者:

Riya Bisht↗Dhruv Agarwal↗

arXiv:2606.12651v1 Announce Type: new Abstract: Machine-learning drug-discovery pipelines increasingly rely on generative models that propose molecules far from the data used to train downstream synthesizability filters. Existing filters (SAScore, SCScore, RAscore, DeepSA) are purely statistical and degrade in exactly this out-of-distribution (OOD) regime. We ask whether cheap, closed-form physical priors, used as auxiliary supervision on a graph neural network (GNN), improve OOD generalization. We add two auxiliary losses to a GINE backbone: a topological complexity regression supervised by the Bertz index, and a strain-energy soft penalty supervised by MMFF94 force-field energy. On a 65,177-molecule corpus (HIV, Tox21, COCONUT) labeled by SAScore thresholds we reproduce a strong in-distribution baseline, then evaluate a 4-way ablation (baseline / +complexity / +strain / +both) on a single-source OOD split (train on drug-like HIV+Tox21, test on COCONUT natural products), repeated over 5 seeds with paired bootstrap confidence intervals. All three physics-aware variants give a small but statistically significant OOD improvement over the baseline (mean OOD AUC 0.9774): +complexity Delta = +0.0060 (95% CI [+0.0023, +0.0102]), +strain Delta = +0.0032 ([+0.0008, +0.0052]), +both Delta = +0.0066 ([+0.0038, +0.0093]); every interval excludes zero, and the combination is best. The variants are indistinguishable in-distribution, so the effect is visible only under OOD evaluation. We are explicit that the effects are modest, and we report a cautionary methodological finding: a single-seed version of this experiment produced a qualitatively different (non-monotone) story that did not survive multi-seed evaluation.

阅读与讨论 → 访问原文 →

22.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.16845

Robust Dual-Signal Fusion: Hybrid Neuro-Symbolic Gating with Compressed Chain-of-Thought Refinement for Irony Detection in Social Media Texts

作者:

Ankit Bhattacharjee↗Krityapriya Bhaumik↗

Large Language Models (LLMs) natively default to literal semantic interpretations, making zero-shot irony detection a persistent challenge. We introduce the Robust Dual-Signal (RDS) Fusion framework, a hybrid neuro-symbolic architecture that compresses Chain-of-Thought (CoT) reasoning trajectories without Supervised Fine-Tuning (SFT). Evaluated on a strictly held-out TweetEval test set (N=734), RDS achieves 78.1% accuracy and a Macro F1 of 0.777, matching the absolute performance ceiling of the fine-tuned BERTweet. On the heavily imbalanced iSarcasm dataset, the frozen CoT pipeline filters 22.5% of out-of-distribution hallucinations, yielding a zero-shot Macro F1 of 0.6726 and Ironic F1 of 0.4821, outperforming multiple heavily supervised SemEval transformer ensembles. A statistical ablation confirms this structural synergy: adding the symbolic prior to the neural baseline yields no significant gain (p = 0.242), and the marginal benefit of adding the CoT pipeline to that prior is heavily compressed (p = 0.149). Only the complete, concurrent fusion of all three signals achieves a statistically validated improvement over the baseline (p = 0.005).

阅读与讨论 → 访问原文 →

23.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2602.05533

Conditional Diffusion Guidance under Hard Constraint: A Stochastic Analysis Approach

作者:

Zhengyi Guo↗Wenpin Tang↗Renyuan Xu↗

arXiv:2602.05533v3 Announce Type: replace Abstract: We study conditional generation in diffusion models under hard constraints, where generated samples must satisfy prescribed events with probability one. Such constraints arise naturally in safety-critical applications and in rare-event simulation, where soft or reward-based guidance methods offer no guarantee of constraint satisfaction. Building on a probabilistic interpretation of diffusion models, we develop a principled conditional diffusion guidance framework based on Doob's h-transform, martingale representation and quadratic variation process. Specifically, the resulting guided dynamics augment a pretrained diffusion with an explicit drift correction involving the logarithmic gradient of a conditioning function, without modifying the pretrained score network. Leveraging martingale and quadratic-variation identities, we propose two novel off-policy learning algorithms based on a martingale loss and a martingale-covariation loss to estimate h and its gradient using only trajectories from the pretrained model. We provide non-asymptotic guarantees for the resulting conditional sampler in both total variation and Wasserstein distances, explicitly characterizing the impact of score approximation and guidance estimation errors. Numerical experiments demonstrate the effectiveness of the proposed methods in enforcing hard constraints and generating rare-event samples. The code of the numerical experiments can be found at https://github.com/ZhengyiGuo2002/CDG_Finance.

阅读与讨论 → 访问原文 →

24.

bioRxiv (Bioinfo) 2026-06-18 DOI: HASH:2fae0a894ed7031230480ff6d3fa4767

Structure Bioinformatics of Eight Human ATP Synthase Fo Subunits and Their AlphaFold3-Predicted Water-Soluble QTY Analogs

作者:

Zhang↗Wang↗Chen↗

Human mitochondrial ATP synthase is an essential rotary motor enzyme that produces most of the cellular ATP through oxidative phosphorylation. Its membrane-embedded Fo sector contains highly hydrophobic transmembrane subunits that are challenging to study in aqueous environments without detergents. This study explores whether applying the QTY code can reduce the hydrophobicity of selected ATP synthase Fo subunits while preserving their overall molecular structures. We applied the QTY code to eight human ATP synthase Fo subunits: ATP6, ATP8, ATPK, ATP68, ATPMK, AT5G1, AT5G2, and AT5G3. Hydrophobic amino acids leucine (L), isoleucine (I), valine (V), and phenylalanine (F) in transmembrane regions were systematically replaced with hydrophilic glutamine (Q), threonine (T), and tyrosine (Y). Four native subunits with available CryoEM structures from human ATP synthase (PDB: 8H9S) were superposed with their AlphaFold3-predicted QTY analogs. The native ATP synthase Fo subunits superposed well with their respective QTY analogs. For the CryoEM-native comparisons, RMSD values ranged from 0.565[A] to 2.546[A]. For the AlphaFold3-native comparisons of subunits without CryoEM structures, RMSD values ranged from 0.204[A] to 0.297[A]. Despite substantial QTY substitutions in the transmembrane regions, ranging from 38.89% to 50.79%, the QTY analogs retained similar overall folds, molecular weights, and isoelectric points. Hydrophobic surface analysis showed that the QTY analogs had reduced hydrophobic patches compared with their native counterparts, with average hydrophobicity decreasing from 0.2959 in native proteins to -1.1023 in QTY analogs. These structural bioinformatics studies suggest that the QTY code can be applied to ATP synthase Fo subunits to generate more hydrophilic, potentially water-soluble analogs while preserving overall structural similarity. These results extend the application of the QTY code to the membrane-embedded Fo sector of ATP synthase and provide a foundation for future experimental studies testing whether these QTY analogs can be expressed, purified, and evaluated for assembly or proton-transfer-related functions.

阅读与讨论 → 访问原文 →

25.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.11817

Grammar-Constrained Decoding Can Jailbreak LLMs into Generating Malicious Code

作者:

Yitong Zhang↗Shiteng Lu↗Jia Li↗

Large Language Models (LLMs) are increasingly used for code generation, raising concerns that they may be misused to produce malicious code. Meanwhile, Grammar-Constrained Decoding (GCD) has been widely adopted to improve the reliability of LLM-generated code by enforcing syntactic validity. In this paper, we reveal a counterintuitive risk: this reliability-oriented technique can itself become an attack surface. We uncover a new jailbreak attack, termed CodeSpear, that exploits GCD to induce LLMs into generating malicious code. Our experiments show that simply applying a benign code grammar constraint can effectively jailbreak LLMs. To address this vulnerability, we propose CodeShield, a safety alignment approach that robustly preserves safe behavior even under attacker-controlled grammar constraints. CodeShield aligns the model in the code modality by teaching it to generate honeypot code under GCD. Such code is semantically harmless, so it does not implement the malicious request, and structurally diverse, so it is difficult to suppress through grammar tightening. At the same time, CodeShield still preserves natural-language refusals when natural language is available. Experiments on 10 popular LLMs across 4 benchmarks show that CodeSpear outperforms representative jailbreak baselines and increases the attack success rate by more than 30 percentage points on average. CodeShield also restores safety under CodeSpear while preserving benign utility. Our findings reveal a fundamental risk of GCD and call for greater attention to its potential security implications.

阅读与讨论 → 访问原文 →