activity
20222026
most citedGraph-based Molecular Representation Learning

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

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Showing 2025Show all

9 papers · 1 filter

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…