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新论文 · v1arXiv:2611.10629

DFT-Agent Bench: Scaffold Effects and Execution Provenance in Autonomous DFT

Shijie Liu, Jin Yang, Weilin Wan, Jingtao Han, Jia LI, Tianqi Deng

原文摘要

Large language models are increasingly deployed as autonomous agents for first-principles materials simulation. We report empirical findings from DFT-Agent Bench, a benchmark of 200+ Quantum ESPRESSO tasks spanning relaxation, electronic structure, equation-of-state, and elastic-tensor pipelines over multiple material tiers. Each task carries a QE-derived ground truth with public-reference cross-checks where available, and a provenance audit checks whether the required QE execution contract was met. Under one execution harness, we compare a near-bare ReAct baseline with a bundled v5.1 scaffold on two models. The complete scaffold improves bands+DOS by +0.08/+0.11 and d-electron vc-relax by +0.17 on both models, while high-scoring relaxation and equation-of-state cells leave little room for improvement. The elastic result is model-dependent (0.18 to 0.40 for deepseek-v4-pro and 0.62 to 0.59 for claude-opus-4-8). A fixed 100-task analysis with retrieval disabled supports the aggregate pattern: the fully frozen DeepSeek comparison gains +0.17, while the Opus comparison gains +0.10 against a historical pool baseline (p < 0.001). The provenance gate catches incomplete or unmarked executions that can receive high rubric scores; it is an execution-contract check, not a test for intentional fraud. These results characterize the evaluated DFT workflows. The anonymous review artifact contains the frozen diagnostic slice, prompts, scorer, and solver revisions: https://anonymous.4open.science/r/231e31re91287h/README.md.

cs.AI · cond-mat.mtrl-sci

新论文 · v1arXiv:2611.04689

Uncertainty-Aware Prototype Learning for Open-Set Test-Time Adaptation

Jinwu Hu, Langyu Bian, Jian Sun, Dongjin Yang, Chao Shuai, Yufeng Wang, Kai Zhou, Bin Xiao 等 11 位作者

原文摘要

Open-set test-time adaptation (TTA) aims to adapt source-trained models to unlabeled test streams where covariate-shifted in-distribution (csID) samples and covariate-shifted out-of-distribution (csOOD) samples may coexist. Existing TTA methods are typically designed under a closed-set assumption and therefore lack explicit mechanisms for reliably distinguishing csID from csOOD samples. Consequently, csOOD samples may be mistakenly included in confidence-enhancing adaptation, producing harmful gradients that degrade known-class performance. To address this, we propose Uncertainty-Aware Prototype Learning for Open-Set Test-Time Adaptation (UAPA), a plug-and-play method for reliable open-set adaptation. Specifically, we first introduce Uncertainty-Driven ID/OOD Separation, which combines a classifier-prototype score with a mini-batch-normalized evidence-derived uncertainty score to distinguish csID from csOOD samples. We then propose a Dynamic Prototype Refinement strategy that periodically refines class-specific target prototypes using buffered csID features to progressively follow the estimated class directions. Lastly, we introduce Contrastive Prototype Entropy Adaptation, which applies entropy minimization to csID samples and entropy maximization to csOOD samples, while prototype-level contrastive learning aligns csID features with their corresponding target prototypes and reduces the maximum similarity between csOOD features and known-class prototypes. Empirically, UAPA outperforms the strongest baselines on the CIFAR benchmarks and Tiny-ImageNet-C, improving average OSCR by 2.08 and 1.28 percentage points, respectively.

cs.LG · cs.AI

新论文 · v1arXiv:2611.02883

Integrating Domain Adaptation and Retrieval-Augmented Generation for Saline-Alkali Land Reclamation Planning

Zuguang He, Congcong Zheng, Wanyue Chen, Wenya Zhou, Zaijin Yang, Long Long, Yucheng Zhang, Shuqin Gao

原文摘要

Reclamation of saline-alkali land requires management plans that account for soil and water conditions, treatment evidence, and financial constraints. This study develops Wenyao, an agricultural decision-support system integrating domain adaptation with retrieval-augmented generation. A bilingual corpus of 8,664 research papers was processed using a 110-indicator schema to construct SA-Bench, comprising 4,860 paper-level planning instances. A QwQ-32B model was adapted through low-rank supervised fine-tuning and combined with case retrieval for budget-conditioned planning. Evidence extraction achieved an F1-score of 0.83 on 300 expert-annotated papers. Without retrieval, Wenyao achieved 95.83% accuracy on 936 source-disjoint multiple-choice questions, compared with 87.93% for the strongest general-purpose baseline; removing explanatory supervision reduced accuracy to 89.42%. Matched-evidence comparisons across 69 region-budget cases supported complementary contributions from adaptation and retrieval. In a blind assessment by 31 experts, Wenyao with retrieval obtained the highest mean scores for objectives and projected outcomes, whereas GPT-5 scored highest for cost estimates. These findings support literature-informed reclamation planning with professional review, while ongoing field monitoring will assess soil and crop responses.

cs.AI

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-industry.117ACL Anthology · ACL 2026

FinHarmBench: Financial Jailbreak Benchmark and Unsupervised Safety Fine-Tuning via Refusal Steering Distillation

Yubin Choi, Yujin Yang, Subin Kim, Seokil Ham, Seungju Cho, Jungmin Son, Youngjun Kwak, Changick Kim

原文摘要

Financial Large Language Models (LLMs) exhibit strong domain expertise but remain vulnerable to financially harmful prompts. To systematically assess this vulnerability, we introduce FinHarmBench, a benchmark designed to evaluate financially harmful and confusable benign prompts. Our analysis reveals a concerning result that financial LLMs can be less robust than general-purpose models, suggesting that domain adaptation alone does not guarantee financial safety alignment. To address this issue, we propose Financial Refusal Steering Distillation (FiRSD), an unsupervised training framework that strengthens financial-domain safety by learning and distilling a financial refusal direction at the representation level. FiRSD enhances refusal behavior without requiring annotated refusal responses. Experiments show that FiRSD substantially improves safety while largely preserving task capability. These results highlight the importance of domain-aware safety alignment for high-stakes financial applications.

cs.CL

Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 6: Industry Track) · 2026 · 正式发表

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-industry.74ACL Anthology · ACL 2026

Harmonizing Dense and Sparse Signals in Multi-turn RL: Dual-Horizon Credit Assignment for Industrial Sales Agents

Haojin Yang, Ai Jian, Yiwei Wang, Xinyue Huang, Weipeng Zhang, Ke Zeng, Xunliang Cai, Jingqing Ruan

原文摘要

Optimizing large language models for industrial sales requires balancing long-term commercial objectives (e.g., conversion rate) with immediate linguistic constraints such as fluency and compliance. Conventional reinforcement learning often merges these heterogeneous goals into a single reward, causing high-magnitude session-level rewards to overwhelm subtler turn-level signals, which leads to unstable training or reward hacking.To address this issue, we propose Dual-Horizon Credit Assignment (DuCA), a framework that disentangles optimization across time scales. Its core, Horizon-Independent Advantage Normalization (HIAN), separately normalizes advantages from turn-level and session-level rewards before fusion, ensuring balanced gradient contributions from both immediate and long-term objectives to the policy update.Extensive experiments with a high-fidelity user simulator show DuCA outperforms the state-of-the-art GRPO baseline, achieving a 6.82% relative improvement in conversion rate, reducing inter-sentence repetition by 82.28%, and lowering identity detection rate by 27.35%, indicating a substantial improvement for an industrial sales scenario that effectively balances the dual demands of strategic performance and naturalistic language generation.

cs.CL

Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 6: Industry Track) · 2026 · 正式发表

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.1062ACL Anthology · ACL 2026

Aligning Agents via Planning: A Benchmark for Trajectory-Level Reward Modeling

Jiaxuan Wang, Yulan Hu Alibaba Group, Wenjin Yang Alibaba Group, Zheng Pan Alibaba Group, Xin Li Alibaba Group, Lan-Zhe Guo Nanjing University

原文摘要

In classical Reinforcement Learning from Human Feedback (RLHF), Reward Models (RMs) serve as the fundamental signal provider for model alignment. As Large Language Models evolve into agentic systems capable of autonomous tool invocation and complex reasoning, the paradigm of reward modeling faces unprecedented challenges–most notably, the lack of benchmarks specifically designed to assess RM capabilities within tool-integrated environments. To address this gap, we present Plan-RewardBench, a trajectory-level preference benchmark designed to evaluate how well judges distinguish preferred versus distractor agent trajectories in complex tool-using scenarios. Plan-RewardBench covers four representative task families—(i) Safety Refusal, (ii) Tool-Irrelevance / Unavailability, (iii) Complex Planning, and (iv) Robust Error Recovery—comprising validated positive trajectories and confusable hard negatives constructed via multi-model natural rollouts, rule-based perturbations, and minimal-edit LLM perturbations. We benchmark representative RMs (generative, discriminative, and LLM-as-Judge) under a unified pairwise protocol, reporting accuracy trends across varying trajectory lengths and task categories. Furthermore, we provide diagnostic analyses of prevalent failure modes. Our results reveal that all three evaluator families face substantial challenges, with performance degrading sharply on long-horizon trajectories, underscoring the necessity for specialized training in agentic, trajectory-level reward modeling. Ultimately, Plan-RewardBench aims to serve as both a practical evaluation suite and a reusable blueprint for constructing agentic planning preference data.

cs.CL · cs.AI

Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表

首次观测 · 记录 #1ACL Anthology · ACL 2026:acl:2026.acl-long.882ACL Anthology · ACL 2026

Dynamics of Cognitive Heterogeneity: Investigating Behavioral Biases in Multi-Stage Supply Chains with LLM-Based Simulation

Jiuyun Jiang, Yuecheng Hong, Bo Yang, Jin Yang, Guangxin Jiang Harbin Institute of Technology, Xiaomeng Guo Hong Kong Polytechnic University, Guang Xiao Hong Kong Polytechnic University

原文摘要

Modeling coordination among generative agents in complex multi-round decision-making presents a core challenge for AI and operations management. Although behavioral experiments have revealed cognitive biases behind supply chain inefficiencies, traditional methods face scalability and control limitations. We introduce a scalable experimental paradigm using Large Language Models (LLMs) to simulate multi-stage supply chain dynamics. Grounded in a Hierarchical Reasoning Framework, this study specifically analyzes the impact of cognitive heterogeneity on agent interactions. Unlike prior homogeneous settings, we employ DeepSeek and GPT agents to systematically vary reasoning sophistication across supply chain tiers. Through rigorously replicated and statistically validated simulations, we investigate how this cognitive diversity influences collective outcomes. Results indicate that agents exhibit myopic and self-interested behaviors that exacerbate systemic inefficiencies. However, we demonstrate that information sharing effectively mitigates these adverse effects. Our findings extend traditional behavioral methods and offer new insights into the dynamics of AI-enabled organizations. This work underscores both the potential and limitations of LLM-based agents as proxies for human decision-making in complex operational environments.

cs.CL

Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表