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Ziyi Wang, Yuxuan Lu, Wenbo Li, Amirali Amini, Bo Sun, Yakov Bart, Weimin Lyu, Jiri Gesi, Tian Wang, Jing Huang 等

Can Large Language models (LLMs) accurately simulate the next web action of a specific user? While LLMs have shown promising capabilities in generating believable human behaviors, evaluating their ability to mimic real user behaviors remains an open challenge, largely due to the lack of high-quality, publicly available datasets that capture both the observable actions and the internal reasoning of an actual human user. To address this gap, we introduce OPeRA, a novel dataset of Observation, Persona, Rationale, and Action collected from real human participants during online shopping sessions. **OPeRA is the first public dataset that comprehensively captures: user personas, browser observations, fine-grained web actions, and self-reported just-in-time rationales**. We developed both an online questionnaire and a custom browser plugin to gather this dataset with high fidelity. Using OPeRA, we establish **the first benchmark to evaluate how well current LLMs can predict a specific user’s next action** and rationale with a given persona and <observation, action, rationale> history. This dataset lays the groundwork for future research into LLM agents that aim to act as personalized digital twins for human.

Byeongjin Kim, Gyuwan Kim, Seo Yeon Park

Large language models struggle with reasoning over long contexts where relevant information is sparsely distributed. Although plan-and-execute frameworks mitigate this by decomposing tasks into planning and execution, their effectiveness is often limited by unreliable plan generation due to dependence on surface-level cues. Consequently, plans may be based on incorrect assumptions, and once a plan is formed, identifying errors and revising it reliably becomes difficult, limiting the effectiveness of reactive refinement. To address this limitation, we propose PPA-Plan, a proactive planning strategy for long-context reasoning that focuses on preventing such failures before plan generation. PPA-Plan identifies potential logical pitfalls and false assumptions, formulates them as negative constraints, and conditions plan generation on explicitly avoiding these constraints. Experiments on long-context QA benchmarks show that executing plans generated by PPA-Plan consistently outperforms existing plan-and-execute methods and direct prompting.

Lishui Fan, Yu Zhang, Mouxiang Chen, Zhongxin Liu

In practice, rigorous reasoning is often a key driver of correct code, while Reinforcement Learning (RL) for code generation often neglects optimizing reasoning quality. Bringing process-level supervision into RL is appealing, but it faces two challenges. First, training reliable reward models to assess reasoning quality is bottlenecked by the scarcity of fine-grained preference data. Second, naively incorporating such neural rewards may suffer from reward hacking. This work proposes ReCode(Reasoning-Reinforced Code Generation), a novel RL training framework comprising: (1) Contrastive Reasoning-Process Reward Learning (CRPL), which trains a reward model with synthesized optimized and degraded reasoning variants to assess the quality of reasoning process; and (2) Consistency-Gated GRPO (CG-GRPO), which integrates the reasoning-process reward model into RL by gating neural reasoning-process rewards with strict execution outcomes, using execution correctness as a hard gate to mitigate reward hacking. Additionally, to assess the reward model’s discriminative capability in assessing reasoning-process quality, we introduce LiveCodeBench-RewardBench (LCB-RB), a new benchmark comprising preference pairs of superior and inferior reasoning processes tailored for code generation. Experimental results across HumanEval(+), MBPP(+), LiveCodeBench, and BigCodeBench show that a 7B model trained with ReCode outperforms the base version by 16.1% and reaches performance comparable to GPT-4-Turbo. We further demonstrate the generalizability of ReCode by extending it to the math domain.

Connor Baumler, Calvin Bao, Huy Nghiem, Xinchen Yang, Marine Carpuat, Hal Daumé Iii

Despite the growing use of large language models (LLMs) for writing tasks, users may hesitate to rely on LLMs when personal style is important. Post-editing LLM-generated drafts or translations is a common collaborative writing strategy, but it remains unclear whether users can effectively reshape LLM-generated text to reflect their personal style. We conduct a pre-registered online study (n=81) in which participants post-edit LLM-generated drafts for writing tasks where personal style matters to them. Using embedding-based style similarity metrics, we find that post-editing increases stylistic similarity to participants’ unassisted writing and reduces similarity to fully LLM-generated output. However, post-edited text still remains stylistically closer in style to LLM text than to participants’ unassisted control text, and it exhibits reduced stylistic diversity compared to unassisted human text. We find a gap between perceived stylistic authenticity and model-measured stylistic similarity, with post-edited text often perceived as representative of participants’ personal style despite remaining detectable LLM stylistic traces.

Yuchun Fan, Bei Li, Peiguang Li, Yilin Wang, Yongyu Mu, Jian Yang, Xin Chen, Rongxiang Weng, Jingang Wang, Xunliang Cai 等

Reinforcement learning has proven effective for enhancing multi-step reasoning in Large Language Models (LLMs), yet its benefits have not fully translated to multilingual contexts. Existing methods struggle with a fundamental trade-off: prioritizing input-language consistency severely hampers reasoning quality, while prioritizing reasoning often leads to unintended language drift toward English. We address this challenge with LANG, a novel framework that leverages language-conditioned hints to guide exploration in non-English reasoning tasks. Our method incorporates two key mechanisms to prevent dependency on these hints: a progressive decay schedule that gradually withdraws scaffolding, and a language-adaptive switch that tailors learning horizons to specific language difficulties. Empirical results on challenging multilingual mathematical benchmarks reveal that LANG substantially enhances reasoning performance without compromising language consistency. Moreover, we show that our framework generalizes beyond mathematics, fostering more consistent language alignment across model layers.

Derrick Goh Xin Deik, Quanyu Long, Zhengyuan Liu, Nancy F. Chen, Wenya Wang

Multi-constraint planning involves identifying, evaluating, and refining candidate plans while satisfying multiple, potentially conflicting constraints. Existing large language model (LLM) approaches face fundamental limitations in this domain. Pure reasoning paradigms, which rely on long natural language chains, are prone to inconsistency, error accumulation, and prohibitive cost as constraints compound. Conversely, LLMs combined with coding- or solver-based strategies lack flexibility: they often generate problem-specific code from scratch or depend on fixed solvers, failing to capture generalizable logic across diverse problems.To alleviate these issues, we introduce the Scalable Code Planning Engine (SCOPE), a systematic framework that disentangles query-specific problem reasoning from generic code execution. SCOPE first transforms input queries into optimized structured representations, capturing the interdependent constraints, and then autonomously generates reusable solver functions (Combination, Filter, and Deliver) that provide consistent and reliable execution across diverse problems. SCOPE achieves state-of-the-art performance while lowering cost and latency. For example, with GPT-4o, it reaches 93.1% success on TravelPlanner, a 61.6% gain over the best baseline (CoT) while cutting inference cost by 1.4 times and time by approximately 4.67 times. Code is available at https://github.com/DerrickGXD/SCOPE.

Zelin Li, Jia Leng, Dawei Song, Yangen Hu

Direct Alignment Algorithms (DAAs) such as DPO simplify RLHF by optimizing policies directly from preference pairs. However, the Bradley–Terry probability-gap objective can induce likelihood displacement and, under weak KL constraints, may even reduce the probability of preferred responses, while implicit rewards can be limited in generalizaiton. We propose Reward Alignment Optimization (RAO), a point-wise direct alignment method that uses an explicit reward model to specify exact target generation probabilities and align the policy offline towards them. Our key insight is a theoretical principle we call "prefix consistency", which links the normalization terms of prompts that share a prefix. Leveraging this property, RAO decouples target reward differentials from bias terms, prevents decreasing preferred-response probabilities, and better exploits reward information both within and across prompts. Extensive experiments on multiple base LLMs show that RAO consistently outperforms existing DAAs while enabling controllable target probability distributions.

Ziqing Wang, Kexin Zhang, Zihan Zhao, Yibo Wen, Abhishek Pandey, Han Liu, Kaize Ding

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language and symbolic notations, with emerging extensions to incorporate multi-modal inputs. To advance this emerging field, this survey provides an up-to-date and forward-looking review of the emerging use of LLMs for two central tasks: molecule generation and molecule optimization. We organize our survey around four fundamental challenges that have emerged as critical evaluation dimensions in recent studies: ensuring validity, enhancing synthesizability, achieving precise property control, and maximizing diversity. Based on this, we systematically analyze how current LLM learning paradigms are applied to tackle each challenge, revealing the distinct capabilities and inherent limitations of each approach. In addition, we include the commonly used datasets and evaluation protocols aligned with these challenges. We conclude by discussing future directions, positioning this survey as a resource for researchers working at the intersection of LLMs and molecular science. A continuously updated reading list is available at https://github.com/REAL-Lab-NU/Awesome-LLM-Centric-Molecular-Discovery.

Lingfeng Zhong, Qiongkai Xu, Usman Naseem

Existing works on defending against LLM backdoor attacks rely on either auxiliary models or safety-related datasets for defending against backdoor attacks on large language models, which are not always available. To address these challenges, we propose our we propose our Contrastive-Selective Activation Decomposition and Steering (CS-ADS), which contrasts relatively more benign and poisoned settings to decompose the feature vectors for steering without relying on additional auxiliary models or datasets. With such disentangled vectors for remediation, our method can achieve feasible defense qualities even better than dataset-based contrastive steering strategies. This novel decomposition-based solution is motivated by the key insight that feature representations of prompt pairs can encode the same benign semantics in different proportions, even when both prompt pairs are similarly backdoored. Such discrepancies allow our method to identify effective remediation directions for steering the generation process, thereby preventing undesired outputs. We evaluate CS-ADS against multiple state-of-the-art backdoor attacks, and experimental results show that CS-ADS provides effective defense across settings.

Ziqing Wang, Yibo Wen, Abhishek Pandey, Han Liu, Kaize Ding

In drug discovery, molecular optimization aims to iteratively refine a lead compound to improve molecular properties while preserving structural similarity to the original molecule. However, each oracle evaluation is expensive, making sample efficiency a key challenge for existing methods under a limited oracle budget. Trial-and-error approaches require many oracle calls, while methods that leverage external knowledge tend to reuse familiar templates and struggle on challenging objectives. A key missing piece is long-term memory that can ground decisions and provide reusable insights for future optimizations. To address this, we present MolMem (Molecular optimization with Memory), a multi-turn agentic reinforcement learning (RL) framework with a dual-memory system. Specifically, MolMem uses Static Exemplar Memory to retrieve relevant exemplars for cold-start grounding, and Evolving Skill Memory to distill successful trajectories into reusable strategies. Built on this memory-augmented formulation, we train the policy with dense step-wise rewards, turning costly rollouts into long-term knowledge that improves future optimization. Extensive experiments show that MolMem achieves 90% success on single-property tasks (1.5\times over the best baseline) and 52% on multi-property tasks using only 500 oracle calls. Our code is available at https://github.com/REAL-Lab-NU/MolMem.

Lee Jung-Mok, Kim Sung-Bin, Joohyun Chang, Lee Hyun, Tae-Hyun Oh

Laughter is a complex social signal that conveys communicative intent beyond amusement. While prior work has focused on isolated laughter analysis tasks, a comprehensive understanding of laughter in real-world scenarios remains underexplored. We introduce SMILE-Next, a dataset for real-world laughter understanding with multimodal textual representations and question–answer annotations across three tasks: laughter detection, laughter type classification, and laughter reasoning. Building on this dataset, we propose a laughter expert LLM that leverages disentangled multimodal textual cues, together with a Mixture-of-Laugh-Experts framework and laughter-specific self-instruction for task-adaptive specialization. Experimental results show that the combination of our proposed components substantially outperforms multimodal LLM baselines, advancing robust real-world laughter understanding.

Faisal Hossain Raquib, Akm Moshiur Rahman Mazumder, Md Fahim, Md Tahmid Hasan Fuad, Md Farhan Ishmam, Faria Sultana, M Ashraful Amin, Amin Ahsan Ali, Akmmahbubur Rahman

Online safety in low-resource languages hinges not only on accurate hate speech detection but also on transparent, culturally grounded explanations. Yet prior works in Bangla largely focus on hate classification, while overlooking interpretability. We address this gap by introducing BanHADEX, the first hate explainability dataset in Bangla with human-annotated labels. BanHADEX contains 19,203 YouTube comments spanning April 2024–June 2025, annotated for binary hate classification with seven fine-grained hate categories, seven target groups, and concise explanations for each sample. Our data pipeline relies on a two-stage annotation protocol that uses majority voting for robust labeling. Our rich suite of experiments on open and closed-source LLMs reveals that explanation-guided LoRA substantially outperforms both classification and explanation quality across prompting and fine-tuning strategies. BanHADEX establishes the groundworks for faithful interpretability and safer moderation in linguistically rich yet under-resourced languages.

Zixuan Wang, Yuanyuan Lei

Logical reasoning serves as a central capability in LLMs and includes three main forms: deductive, inductive, and abductive reasoning. In this work, we study the knowledge representations of these reasoning types in LLMs and analyze the correlations among them. Our analysis shows that each form of logical reasoning can be captured as a reasoning-specific knowledge vector in a linear representation space, yet these vectors are largely independent of each other. Motivated by cognitive science theory that these subforms of logical reasoning interact closely in the human brain, as well as our observation that the reasoning process for one type can benefit from the reasoning chain produced by another, we further propose to refine the knowledge representations of each reasoning type in LLMs to encourage complementarity between them. To this end, we design a complementary subspace-constrained refinement framework, which introduces a complementary loss that enables each reasoning vector to leverage auxiliary knowledge from the others, and a subspace constraint loss that prevents erasion of their unique characteristics. Through steering experiments along reasoning vectors, we find that refined vectors incorporating complementary knowledge yield consistent performance gains. We also conduct a mechanism-interpretability analysis of each reasoning vector, revealing insights into the shared and specific features of different reasoning in LLMs.

Jin Cui, Jiaqi Guo, Jiepeng Zhou, Ruixuan Yang, Jiayi Lu, Jiajun Xu, Jiangcheng Song, Boran Zhao, Pengju Ren

While Large Language Models (LLMs) have emerged with remarkable capabilities in complex tasks through Chain-of-Thought (CoT) reasoning, practical resource constraints have sparked interest in transferring these abilities to smaller models. However, achieving both domain performance and cross-domain generalization remains challenging. Existing approaches typically restrict students to following a single golden rationale and treat different reasoning paths independently. Due to distinct inductive biases and intrinsic preferences, alongside the student’s evolving capacity and reasoning preferences during training, a teacher’s "optimal" rationale could act as out-of-distribution noise. This misalignment leads to a degeneration of the student’s latent reasoning distribution, causing suboptimal performance. To bridge this gap, we propose MIND, a capability-adaptive framework that transitions distillation from passive mimicry to active cognitive construction. We synthesize diverse teacher perspectives through a novel "Teaching Assistant" network. By employing a novel Feedback-Driven Inertia Calibration mechanism, this network utilizes inertia-filtered training loss to align supervision with the student’s current adaptability, effectively enhancing performance while mitigating catastrophic forgetting. Extensive experiments demonstrate that MIND achieves state-of-the-art performance on both in-distribution and out-of-distribution benchmarks, and our sophisticated latent space analysis further confirms the mechanism of reasoning ability internalization.

Chenning Xu, Mao Zheng, Mingyu Zheng, Mingyang Song

Podcast script generation requires LLMs to synthesize structured, context-grounded dialogue from diverse inputs, yet systematic evaluation resources for this task remain limited. To bridge this gap, we introduce PodBench, a benchmark comprising 800 samples with inputs up to 21K tokens and complex multi-speaker instructions. We propose a multifaceted evaluation framework that integrates quantitative constraints with LLM-based quality assessment. Extensive experiments reveal that while proprietary models generally excel, open-source models equipped with explicit reasoning demonstrate superior robustness in handling long contexts and multi-speaker coordination compared to standard baselines. However, our analysis uncovers a persistent divergence where high instruction following does not guarantee high content substance. PodBench offers a reproducible testbed to address these challenges in long-form, audio-centric script generation.

Hieu Man, Van-Cuong Pham, Nghia Trung Ngo, Franck Dernoncourt, Thien Huu Nguyen

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.

Md Asiful Islam, Mihai Surdeanu

We propose a lightweight explainable guardrail (LEG) method to detect unsafe prompts. LEG uses a multi-task learning architecture to jointly learn a prompt classifier and an explanation classifier, where the latter labels prompt words that explain the safe/unsafe overall decision. LEG is trained on synthetic explanation data, which is generated using a novel strategy that counteracts the confirmation biases of LLMs. Lastly, LEG’s training process uses a novel loss that captures global explanation signals as a weak supervision and combines cross-entropy and focal losses with uncertainty-based weighting. LEG obtains equivalent or better performance than the state-of-the-art for both prompt classification and explainability, both in-domain and out-of-domain on three datasets, despite the fact that its model size is considerably smaller than current approaches.

Shuo Yang, Caren Han, Xueqi Ma, Yan Li, Mohammad Reza Ghasemi Madani, Eduard Hovy

LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging dueto delayed supervision and the difficulty ofcredit assignment in long-horizon trajectories.Existing optimization approaches tend to beeither monolithic, which are prone to entangling behaviors, or single-aspect, which ignorecross-module error propagation. To addressthese limitations, we propose EVOTOOL, a self-evolving framework that optimizes a modulartool-use policy via a gradient-free evolutionary paradigm. EVOTOOL decomposes agent’stool-use policy into four modules, includingPlanner, Selector, Caller, and Synthesizer, anditeratively improves them through three mechanisms. Trajectory-Grounded Blame Attribution uses diagnostic traces to localize failuresto a specific module. Feedback-Guided Targeted Mutation then edits only that modulevia natural-language critique. Diversity-AwarePopulation Selection preserves complementarycandidates to ensure solution diversity. Acrossfour diverse benchmarks, EVOTOOL outperforms strong baselines by over 5 points on bothGPT-4.1 and Qwen3-8B, while achieving superior efficiency and transferability.

Bingkang Shi, Jen-tse Huang, Luo Long, Tianyu Zong, Hongzhu Yi, Yuanxiang Wang, Songlin Hu, Xiaodan Zhang, Zhongjiang Yao

Large Language Models (LLMs) have increasingly enhanced or replaced traditional Non-Player Characters (NPCs) in video games. However, these LLM-based NPCs inherit underlying social biases (e.g., race or class), posing fairness risks during in-game interactions. To address the limited exploration of this issue, we introduce FairGamer, the first benchmark to evaluate social biases across three interaction patterns: transaction, cooperation, and competition. FairGamer assesses four bias types, including class, race, age, and nationality, across 12 distinct evaluation tasks using a novel metric, FairMCV. Our evaluation of seven frontier LLMs reveals that: (1) models exhibit biased decision-making, with Grok-4-Fast demonstrating the highest bias (average FairMCV = 76.9%); and (2) larger LLMs display more severe social biases, suggesting that increased model capacity inadvertently amplifies these biases. We release FairGamer at https://github.com/BingkangShi/FairGamer to facilitate future research on NPC fairness.

Fengxian Ji, Jingpu Yang, Zirui Song, Lang Gao, Junhong Liang, Zhenhao Chen, Jinghui Zhang, Xiuying Chen

Recent image generation and editing models demonstrate robust adherence to instructions and high visual quality on academic benchmarks.However, their performance on paid, real-world design projects remains uncertain. We introduce ServImage, a benchmark that explicitly correlates model outputs with economic value in commercial design projects. ServImage consists of (i) ServImageBench: a dataset of 1.07k paid commercial design tasks and 2.05k designer deliverables totaling over $295k, covering portrait, product, and digital content, along with 33k candidate images and 33k human annotations.(ii) ServImageScore: an integrated scoring system that combines three quality dimensions: baseline requirements fulfilment, visual execution quality, and commercial necessity satisfaction. These three dimensions are designed to characterize the factors that drive human payment decisions and indicate whether an image is commercially acceptable.(iii) ServImageModel: under this scoring system, we propose a payment prediction model trained on the human-annotated candidate images, achieving 82.00% accuracy in predicting human payment decisions and producing calibrated payment probabilities.ServImage provides a comprehensive foundation for assessing the commercial viability of image generation models and offers a scalable resource for future research on economically grounded vision systems Github.