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新论文 · v1arXiv:2611.06911

BEAKER:面向自驱动化学实验室具身大脑的专家精选基准

BEAKER: An Expert-Curated Benchmark for Embodied Brains in Self-Driving Chemical Laboratories

Fei Lin, Tengchao Zhang, Ziyang Gong, Xiaotong Yu, Bohan Zhang, Yifan Zhou, Qihao Yang, Ji Dai 等 18 位作者

AI 速览:作者提出并构建了专家人工标注的 BEAKER 基准,用于评测多模态大模型在自驱动化学实验室中的执行导向具身能力。

Self-Driving Chemical Laboratories (SDCLs) are moving chemical experimentation toward embodied automation, where machines must perceive laboratory scenes, reason about experimental states, and act under physical, procedural, and safety constraints. Although Multimodal Large Language Models (MLLMs) are increasingly considered as embodied brains for such systems, existing laboratory benchmarks mainly focus on safety, anomaly detection, or general scientific understanding, leaving their execution-oriented embodied capabilities underexplored. To fill this gap, we introduce BEAKER, a Benchmark for evaluating Embodied Actionability, Knowledge, Experimentation, and Reasoning in SDCLs. BEAKER contains 1,000 expert-curated question-answer samples across 11 image and video task types, covering key judgments required for chemical laboratory execution, including affordance grounding, trajectory planning, equipment, state, and safety recognition, apparatus setup, operation and step reasoning, and temporal procedure reasoning. All questions and annotations are manually created and reviewed by chemistry and embodied Artificial Intelligence (AI) experts, without AI-assisted generation or annotation. We evaluate 28 general-purpose, science-oriented, chemistry-specialized, and embodied MLLMs in an offline, single-turn setting. Results show that current models can follow coarse experimental procedures in videos, but still struggle to ground actions into operable regions and feasible trajectories, to recognize fine-grained laboratory apparatus, states, and safety norms, and to order steps in mid-length procedures. BEAKER thus reveals a clear gap between coarse procedural understanding and the precise, action-grounded perception required for laboratory execution, providing a diagnostic benchmark for future MLLMs in SDCLs.

cs.AI
arXiv ↗PDF ↗
新论文 · v1arXiv:2611.06910

FrontierPhysics:评估面向端到端物理研究的智能体

FrontierPhysics: Evaluating Agents for End-to-End Physics Research

Bingran You, Wenjun Ke, Ria Rosenauer, Bo Liu, Wenbo Chen, Min Chen, Shuqi Xu, Yue Ma 等 72 位作者

AI 速览:作者提出包含56个由物理学家基于自身研究设计的端到端物理研究基准,用确定性验证器与专家评分量表同时考察智能体研究的正确性与可发表性。

AI agents are playing an increasingly important role in physics research. However, existing physics benchmarks only evaluate fixed questions, isolated sub-tasks, or paper reproduction with given solutions, and rarely check research quality alongside correctness. We introduce FrontierPhysics, an end-to-end benchmark with 56 tasks made by 42 physicists based on their own research, covering nine domains across theoretical, computational, and experimental physics. Each task requires agents to review the literature, develop a research plan, conduct research and experiments, and produce structured outputs and scientific manuscripts. Combining deterministic verifiers with expert-authored rubrics, FrontierPhysics evaluates whether agents' research is correct and publishable. Across 22 models in 26 configurations, no configuration passes more than 46 of its 168 rollouts. Manual review of agent trajectories shows that frontier agents' main weaknesses are insufficiently rigorous reasoning and limited expert intuition, rather than gaps in physics knowledge or execution errors.

cs.AI
arXiv ↗PDF ↗
版本更新 · v5arXiv:2506.10912

打破坏分子:多模态大语言模型准备好进行结构级分子解毒了吗?

Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?

Fei Lin, Ziyang Gong, Cong Wang, Tengchao Zhang, Yonglin Tian, Yining Jiang, Ji Dai, Chao Guo 等 12 位作者

AI 速览:该论文提出首个面向通用多模态大语言模型的分子毒性修复基准任务ToxiMol及自动评估框架ToxiEval,并系统评测43个主流模型。

Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair, generating structurally valid molecular alternatives with reduced toxicity, has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 660 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess 43 mainstream general-purpose MLLMs and conduct multiple ablation studies to analyze key issues, including evaluation metrics, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware editing.

cs.AI · cs.CL
arXiv ↗PDF ↗
版本更新 · v3arXiv:2605.12827

GraphIP-Bench:窃取图神经网络有多难,我们能阻止吗?

GraphIP-Bench: How Hard Is It to Steal a Graph Neural Network, and Can We Stop It?

Kaixiang Zhao, Bolin Shen, Yuyang Dai, Shayok Chakraborty, Yushun Dong

AI 速览:提出统一基准 GraphIP-Bench,在同一黑盒协议下系统评测图神经网络模型窃取攻击与所有权防御,并揭示防御在提取后代理模型上的失效缺口。

Graph neural networks (GNNs) deployed as cloud services can be *stolen* through *model-extraction attacks*, which train a surrogate from query responses to reproduce the target's behaviour, and a growing line of ownership defenses tries to prevent or trace such theft. The title of this paper asks two questions: *how hard is it to steal a GNN?*, and *can we stop it?* Prior work cannot answer either, because experiments use inconsistent datasets, threat models, and metrics. We introduce *GraphIP-Bench*, a unified benchmark which evaluates both sides under a single black-box protocol. It integrates twelve extraction attacks, twelve defenses spanning watermarking, output-perturbation, and query-pattern-detection families, ten public graphs covering homophilic, heterophilic, and large-scale regimes, three GNN backbones, and three graph-learning tasks, and it reports fidelity, task utility, ownership verification, and computational cost on shared splits, queries, and budgets. We further add a joint attack-and-defense track which runs every attack on every defended target and measures watermark verification on the resulting surrogate, which exposes the protection that a defense retains after extraction. The empirical picture is short: stealing a GNN is easy at medium query budgets and most defenses do not change this; several watermarks verify reliably on the protected model but lose most of their verification signal on the extracted surrogate, which exposes a gap that single-model evaluations miss; and heterophilic graphs are systematically harder to steal, while a cross-architecture mismatch between target and surrogate reduces but does not prevent extraction. We release *GraphIP-Bench* with reproducible scripts and configurations, and integrate the attacks and defenses into the PyGIP library.

cs.CR · cs.AI · cs.LG
arXiv ↗PDF ↗
新论文 · v1arXiv:2611.06830

生成式AI中的对齐短视

Alignment Myopia in Generative AI

Remi Denton, Aida Davani, Cynthia L Bennett, Michael Madaio, Roma Patel, Himabindu Lakkaraju

AI 速览:作者指出当前生成式AI对齐依赖短视范式、只优化即时对话满意度,忽视长期人机交互的外部性,并倡议转向长时程对齐。

Current generative AI alignment relies on a myopic paradigm that prioritizes immediate conversational satisfaction. By relying on short-horizon feedback, this approach ignores the profound, longitudinal externalities of persistent human-AI interaction, which can lead to adverse outcomes such as cognitive atrophy, social erosion, and diminished human agency. To address this, we propose a paradigm shift toward long-horizon alignment that accounts for how AI reshapes human experience over time. To this end, we map the tensions between near-term utility and long-term costs of AI use across four facets of human well-being to reveal outcomes that current reward models fail to capture. Ultimately, we advocate for moving beyond simple preference optimization toward alignment strategies that actively foster long-term human well-being by navigating these complex temporal scales.

stat.ML · cs.CY · cs.LG
arXiv ↗PDF ↗
版本更新 · v2arXiv:2606.01643

手语生成中的条件坍缩:一项诊断与覆盖度论证

Conditional Collapse in Sign Language Production: A Diagnostic and a Coverage Argument

Rui Hong, Jana Košecká

AI 速览:作者提出用三个独立层级诊断手语生成模型的条件坍缩问题,并论证目标忠实度取决于训练句对测试条件的覆盖密度而非语料规模。

The goal of Sign Language Production (SLP) is to translate natural language text into corresponding sign language movements performed by a virtual avatar. The quality of the generated motion is typically evaluated by a motion-space Frechet distance (FID) and back-translation BLEU score on benchmarks such as How2Sign. The existing approaches can improve both metrics substantially while the underlying generator fails to represent the input sentence, a failure we call conditional collapse. In this work we propose to evaluate the generated motion at three independent levels: (tau1) initial-pose conditioning, (tau2) output diversity, and (tau3) target faithfulness. We compute these as pairwise-distance ratios using latent representations of a frozen motion autoencoder (MoAE), judged against each dataset's own GT-vs-GT reference. We evaluate diffusion and regression SLP models on How2Sign, including a re-implemented Neural Sign Actors, and show that tau3 faithfulness is never attained, while FID varies by nearly two orders of magnitude and is uncorrelated with faithfulness. We then apply the same models and diagnostic to Phoenix-2014T, CSL-Daily, and gloss-level ASL3DWord and show that faithfulness varies proportionally to how densely the training sentences cover the test conditions (conditioning coverage) and not corpus size. The smaller but densely covered Phoenix-2014T and ASL3DWord datasets generate faithful sign motion, while CSL-Daily follows the input text yet falls short of sign language faithfulness. Using the largest, open-domain How2Sign dataset, the models collapse at every scale. We introduce two measurements of the text data that rank the corpora in the order of how densely the training sentences fill the embedding space, and how close each test sentence lies to its nearest training sentence.

cs.CV
arXiv ↗PDF ↗
新论文 · v1arXiv:2610.40641

从极端天气到农业后果:基于智能体的AI

From extreme weather to agricultural consequences with agentic AI

Minghan Yu, Mengyu Dai, Yixin Wen, Haizhao Yang

AI 速览:提出WxCrop智能体,将可物理解释的天气指数与因果分析结合,预测历史与预报日期下作物损失。

Extreme weather is forecast days ahead, yet its consequences for agriculture remain hard to predict: a forecast says where a storm will strike, not which crops will suffer or how much is at risk, and the records that could tell span many sources. We present WxCrop, the first agent that judges agricultural hazards from physically interpretable weather indices examined by causal analysis, and the first that combines weather and agricultural information to predict crop loss reliably for past and forecast dates. We demonstrate it in Florida on hurricanes, freezes and dry heat, with a loss model calibrated on insurance records for each, and the same procedure extends to other hazards and areas. Three checks show reliability: the hurricane index detects recorded cyclone days with an AUC of 0.98, recorded losses in held-out years are reproduced to within 2%, and independent production records confirm the county rankings (rank correlation 0.63). Users ask the agent for each crop group's loss as a fraction of expected season value, every number sourced, so that governments, growers and scientists respond to agricultural disasters quickly.

physics.ao-ph · cs.AI
arXiv ↗PDF ↗
新论文 · v1arXiv:2610.40522

基于FPGA神经形态高阶Ising机的动态电网优化

Dynamic Powergrid Optimization with FPGA-based Neuromorphic Higher-order Ising Machines

Saptarshi Maiti, Shantanu Chakrabartty, Chetan Singh Thakur

AI 速览:作者提出一种基于FPGA的神经形态高阶Ising机,用PUBO形式求解配电网重构,并报告了相对Gurobi的加速与降损效果。

The advent of large, high-density FPGAs such as the AMD Versal enables efficient hardware implementation of neuromorphic Ising machines, unlocking unprecedented performance for complex combinatorial optimizations. A critical application for this computing paradigm is dynamic powergrid optimization, specifically Distribution Network Reconfiguration (DNR), which seeks to mitigate severe resistive losses and reduce electricity costs by optimizing network switch configurations in real time. This paper presents an FPGA-based neuromorphic higher-order Ising machine for high-speed, adaptive DNR. By directly mapping DNR onto higher-order Ising interactions via a polynomial unconstrained binary optimization (PUBO) formulation, the proposed architecture requires only 179 spins for the IEEE 33-bus network, which represents a 6 times reduction compared to standard quadratic formulations. Implemented on an AMD Versal Premium VP1802 FPGA, the architecture executes parallel spin-group updates every 20 ns and solves 33-, 51-, and 69-bus benchmark networks with median latencies of 1.6-29.3 ms, yielding a 7-58 times speedup over Gurobi to the first optimal solution. Using the solver with expanded network-switching flexibility reduces power loss by 80.71 kW (57.83%), while adaptive reconfiguration every 10 s under time-varying demand saves 131.16 kWh/day over static daily reconfiguration, highlighting the potential of higher-order Ising hardware for fast, adaptive smart grid management.

cs.NE
arXiv ↗PDF ↗
版本更新 · v2arXiv:2604.27638

面向结构健康监测的绿色物理信息机器学习模型

Green Physics-Informed Machine Learning Models For Structural Health Monitoring

Daisy R Bradley, Elizabeth J Cross

AI 速览:从环境影响的“绿色”视角比较黑箱与灰箱(物理信息)模型,探讨灰箱模型的高外推性能如何降低运行时间与碳排放。

Machine learning continues to emerge as an important tool to be utilised within structural engineering and structural health monitoring, due to its ability to accurately and quickly perform both regression and classification tasks. However, a purely data driven approach has its limitations, particularly where we lack data from relevant environmental and operational conditions, a situation that has led to the development of physics-informed machine learners for structural health monitoring. These "grey-box" models take into account the physical insight that an engineer would have about the structure they are modelling and have shown promising results in the structural engineering field among many others. This work compares black and grey-box models through a "green" lens, comparing them in terms of their environmental impact, and investigating how the high extrapolative performance of grey-box models can reduce their runtimes and therefore carbon emissions. The authors aim to develop physics-informed models with reduced computational costs, while maintaining high performance, illustrated through a structural health monitoring case study.

cs.LG
arXiv ↗PDF ↗
版本更新 · v2arXiv:2605.30865Google Research

GlucoFM:面向连续血糖监测的双流基础模型

GlucoFM: A Dual-Stream Foundation Model for Continuous Glucose Monitoring

Zechen Li, Keerthana Natarajan, Weizhi Zhang, Menglian Zhou, Simon A. Lee, Yuwei Zhang, Maxwell A. Xu, Zeinab Esmaeilpour 等 14 位作者

AI 速览:提出轻量级CGM基础模型GlucoFM,将血糖动态分解为慢变趋势与短期偏差双流,并在大规模无标签CGM数据上预训练,用于代谢表型分类与餐后血糖响应预测。

Continuous glucose monitoring (CGM) provides a dense view of daily metabolic physiology, yet existing generic time-series and CGM-specific foundation models often encode glucose traces as entangled single-stream sequences, leaving their multiscale temporal structure only implicitly modeled. We present GlucoFM, a lightweight CGM foundation model that aligns irregular recordings to a 24-hour chronological grid, preserves observation masks, and decomposes glucose dynamics into slow-varying glycemic trend and short-term deviation streams. GlucoFM is pretrained on 109,066 hours of unlabeled CGM recordings from 477 subjects with masked contextual latent prediction over fused daily representations and temporal dynamics prediction over the two streams. Frozen pre-fusion probes confirm distinct temporal emphasis: state tokens preferentially preserve hourly glucose level, whereas event tokens better retain short-term change. Across four diverse cohorts and seven phenotype-classification tasks, GlucoFM achieves the strongest subject-disjoint linear-probing performance among evaluated baselines, improving average PR-AUC by 4.1 points over the best CGM-specific foundation model, while also supporting strong cross-dataset transfer and few-shot adaptation. Its gains are most pronounced on core metabolic outcomes, leading PR-AUC on all diabetes-risk and $β$-cell dysfunction tasks and on 3 of 4 insulin-resistance tasks. Beyond phenotyping, when combined with recent CGM, meal nutrition, and subject context, the same frozen encoder achieves the lowest two-hour postprandial glycemic response errors among evaluated methods for trajectory, incremental area under the curve, peak rise, and peak timing. Together, these results demonstrate that GlucoFM learns reusable frozen CGM representations spanning metabolic phenotyping and context-conditioned glucose-response prediction.

cs.LG
arXiv ↗PDF ↗
新论文 · v1arXiv:2603.06981Google Research

扩散控制器:框架、算法与参数化

Diffusion Controller: Framework, Algorithms and Parameterization

Tong Yang, Moonkyung Ryu, Chih-Wei Hsu, Guy Tennenholtz, Yuejie Chi, Craig Boutilier, Bo Dai

AI 速览:将反向扩散采样统一建模为广义线性可解马尔可夫决策过程中的状态型随机控制,并据此推导微调算法与轻量侧网络参数化。

Controllable diffusion generation often relies on various heuristics that are seemingly disconnected without a unified understanding. We bridge this gap with Diffusion Controller (DiffCon), a unified control-theoretic view that casts reverse diffusion sampling as state-only stochastic control within (generalized) linearly-solvable Markov Decision Processes (LS-MDPs). Under this framework, control acts by reweighting the pretrained reverse-time transition kernels, balancing terminal objectives against an $f$-divergence cost. From the resulting optimality conditions, we derive practical reinforcement learning methods for diffusion fine-tuning: (i) f-divergence-regularized policy-gradient updates, including a PPO-style rule, and (ii) a regularizer-determined reward-weighted regression objective with a minimizer-preservation guarantee under the Kullback-Leibler (KL) divergence. The LS-MDP framework further implies a principled model form: the optimal score decomposes into a fixed pretrained baseline plus a lightweight control correction, motivating a side-network parameterization conditioned on exposed intermediate denoising outputs, enabling effective gray-box adaptation with a frozen backbone. Experiments on Stable Diffusion v1.4 across supervised and reward-driven finetuning show consistent gains in preference-alignment win rates and improved quality-efficiency trade-offs versus gray-box baselines and even the parameter-efficient white-box adapter LoRA.

cs.LG · cs.AI
arXiv ↗PDF ↗