activity
20222026
most citedGraph-based Molecular Representation Learning

12 citations · 36 across the 27 of their papers we have counts for

collaborators

28 papers

cs.CR2026

SecProbe: Adaptive Evaluation of Coding Agents on Cybersecurity Vulnerabilities

Xiaonan Luo, Yue Huang, Kehan Guo +9

Assessing cybersecurity vulnerability awareness in coding agents requires evaluations that reveal capability gaps and remain informative as models evolve. Static benchmarks offer f…

cs.CL2026

Learning from Synthetic Data without Model Collapse in Iterative Instruction Tuning

Xiaonan Luo, Yue Huang, Kehan Guo +4

Model collapse is a central challenge in learning from synthetic data: as later-generation large language models (LLMs) are trained on an increasing proportion of model-generated d…

cs.LG2026

ASAP: Agent-System Co-Design for Wall-Clock-Centered Auto HPO Research for ML Experiments

Taicheng Guo, Haomin Zhuang, Kehan Guo +4

Hyperparameter Optimization (HPO) is essential for maximizing machine learning model performance, and its core challenge is sample efficiency: finding strong configurations within…

cs.LG2026

Reward Transport: Property Control in Flow Matching via Noise-Space Alignment

Kehan Guo, Yili Shen, Yujun Zhou +4

The coupling in flow matching -- the rule pairing noise vectors with data points -- is typically treated as a computational choice. We show that this coupling can instead serve as…

cs.LG2026

Getting Better at Working With You: Compiling User Corrections into Runtime Enforcement for Coding Agents

Yujun Zhou, Kehan Guo, Haomin Zhuang +8

Interactive LLM agents are becoming part of daily work, but they do not reliably become easier to work with over time: a correction remembered in one session may still be violated…

cs.CL2026

NARRA-Gym for Evaluating Interactive Narrative Agents

Yue Huang, Yuchen Ma, Jiayi Ye +14

Interactive narrative tasks require LLMs to sustain a coherent, evolving story while adapting to a user over multiple turns. However, suitable benchmarks for this setting are limit…

cs.CL2026

PolicyLLM: Towards Excellent Comprehension of Public Policy for Large Language Models

Han Bao, Penghao Zhang, Yue Huang +9

Large Language Models (LLMs) are increasingly integrated into real-world decision-making, including in the domain of public policy. Yet, their ability to comprehend and reason abou…

cs.CL2026

Reliable Control-Point Selection for Steering Reasoning in Large Language Models

Haomin Zhuang, Hojun Yoo, Xiaonan Luo +2

Steering vectors offer a training-free mechanism for controlling reasoning behaviors in large language models, but constructing effective vectors requires identifying genuine behav…

cs.CL2026

Dual Optimal: Make Your LLM Peer-like with Dignity

Xiangqi Wang, Yue Huang, Haomin Zhuang +2

Current aligned language models exhibit a dual failure mode we term the Evasive Servant: they sycophantically validate flawed user beliefs while deflecting responsibility with boil…

cs.CL2026

ProbeLLM: Automating Principled Diagnosis of LLM Failures

Yue Huang, Zhengzhe Jiang, Yuchen Ma +8

Understanding how and why large language models (LLMs) fail is becoming a central challenge as models rapidly evolve and static evaluations fall behind. While automated probing has…

cs.LG2026

Alignment Risks from Capability-Seeking RL Training

Yujun Zhou, Yue Huang, Han Bao +8

While most AI alignment research focuses on preventing models from generating explicitly harmful content, a more subtle risk arises from capability-seeking RL training in vulnerabl…

cs.AI2025★ 3 cited

Evaluating Large Language Models in Scientific Discovery

Zhangde Song, Jieyu Lu, Yuanqi Du +53

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasonin…

cs.LG2025

Causally-Enhanced Reinforcement Policy Optimization

Xiangqi Wang, Yue Huang, Yujun Zhou +3

Large language models (LLMs) trained with reinforcement objectives often achieve superficially correct answers via shortcut strategies, pairing correct outputs with spurious or unf…

cs.CL2025

ChemOrch: Empowering LLMs with Chemical Intelligence via Synthetic Instructions

Yue Huang, Zhengzhe Jiang, Xiaonan Luo +12

Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the mi…

cs.CL2025

Dissecting Logical Reasoning in LLMs: A Fine-Grained Evaluation and Supervision Study

Yujun Zhou, Jiayi Ye, Zipeng Ling +8

Logical reasoning is a core capability for large language models (LLMs), yet existing benchmarks that rely solely on final-answer accuracy fail to capture the quality of the reason…

cs.AI2025

AdaReasoner: Adaptive Reasoning Enables More Flexible Thinking in Large Language Models

Xiangqi Wang, Yue Huang, Yanbo Wang +4

LLMs often need effective configurations, like temperature and reasoning steps, to handle tasks requiring sophisticated reasoning and problem-solving, ranging from joke generation…

cs.LG2025

Beyond Single-Value Metrics: Evaluating and Enhancing LLM Unlearning with Cognitive Diagnosis

Yicheng Lang, Kehan Guo, Yue Huang +5

Due to the widespread use of LLMs and the rising critical ethical and safety concerns, LLM unlearning methods have been developed to remove harmful knowledge and undesirable capabi…

cs.AI2025★ 7 cited

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond

Kehan Guo, Yili Shen, Gisela Abigail Gonzalez-Montiel +8

The rapid advent of machine learning (ML) and artificial intelligence (AI) has catalyzed major transformations in chemistry, yet the application of these methods to spectroscopic a…

cs.CY2025★ 1 cited

On the Trustworthiness of Generative Foundation Models: Guideline, Assessment, and Perspective

Yue Huang, Chujie Gao, Siyuan Wu +63

Generative Foundation Models (GenFMs) have emerged as transformative tools. However, their widespread adoption raises critical concerns regarding trustworthiness across dimensions.…

cs.CY2025

Prioritization First, Principles Second: An Adaptive Interpretation of Helpful, Honest, and Harmless Principles

Yue Huang, Chujie Gao, Yujun Zhou +5

The Helpful, Honest, and Harmless (HHH) principle is a foundational framework for aligning AI systems with human values. However, existing interpretations of the HHH principle ofte…

cs.LG2024

SEUF: Is Unlearning One Expert Enough for Mixture-of-Experts LLMs?

Haomin Zhuang, Yihua Zhang, Kehan Guo +4

Recent advancements in LLMs unlearning have shown remarkable success in removing unwanted data-model influences while preserving the model's utility for legitimate knowledge. Despi…

cs.CL2024★ 1 cited

Social Science Meets LLMs: How Reliable Are Large Language Models in Social Simulations?

Yue Huang, Zhengqing Yuan, Yujun Zhou +8

Large Language Models (LLMs) are increasingly employed for simulations, enabling applications in role-playing agents and Computational Social Science (CSS). However, the reliabilit…

cs.CL2024★ 6 cited

LabSafety Bench: Benchmarking LLMs on Safety Issues in Scientific Labs

Yujun Zhou, Jingdong Yang, Yue Huang +12

Artificial Intelligence (AI) is revolutionizing scientific research, yet its growing integration into laboratory environments presents critical safety challenges. Large language mo…

cs.CL2024★ 1 cited

ScholarChemQA: Unveiling the Power of Language Models in Chemical Research Question Answering

Xiuying Chen, Tairan Wang, Taicheng Guo +7

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic…