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Large language models (LLMs) excel at single-turn reasoning but often lose accuracy and coherence over extended, multi-turn interactions. Recent evaluations such as TurnBench highlight recurring failure modes-reasoning bias, task drift,…

Computation and Language · Computer Science 2025-12-17 Yiran Zhang , Jincheng Hu , Mark Dras , Usman Naseem

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, and co-evolving paradigms have shown promising results in domains such as code and math. However, in scientific reasoning tasks, these models remain fragile…

Artificial Intelligence · Computer Science 2026-02-13 Xiaohan He , Shiyang Feng , Songtao Huang , Lei Bai , Bin Wang , Bo Zhang

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG)…

Artificial Intelligence · Computer Science 2024-09-12 Vansh Sharma , Venkat Raman

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Language models (LMs) and their extension, vision-language models (VLMs), have achieved remarkable performance across various tasks. However, they still struggle with complex reasoning tasks that require multimodal or multilingual…

Machine Learning · Computer Science 2025-07-09 Wenyi Wu , Zixuan Song , Kun Zhou , Yifei Shao , Zhiting Hu , Biwei Huang

Multimodal scientific reasoning remains a significant challenge for large language models (LLMs), particularly in chemistry, where problem-solving relies on symbolic diagrams, molecular structures, and structured visual data. Here, we…

Computation and Language · Computer Science 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

Structured reasoning over natural language inputs remains a core challenge in artificial intelligence, as it requires bridging the gap between unstructured linguistic expressions and formal logical representations. In this paper, we propose…

Artificial Intelligence · Computer Science 2025-07-14 Keying Yang , Hao Wang , Kai Yang

Despite the outstanding capabilities of large language models (LLMs), knowledge-intensive reasoning still remains a challenging task due to LLMs' limitations in compositional reasoning and the hallucination problem. A prevalent solution is…

Computation and Language · Computer Science 2025-09-29 Amy Xin , Jinxin Liu , Zijun Yao , Zhicheng Lee , Shulin Cao , Lei Hou , Juanzi Li

Integrating large language models (LLMs) with rule-based reasoning offers a powerful solution for improving the flexibility and reliability of Knowledge Base Completion (KBC). Traditional rule-based KBC methods offer verifiable reasoning…

Computation and Language · Computer Science 2025-01-03 Qiyuan He , Jianfei Yu , Wenya Wang

Large Language Models frequently generate outputs that appear scientifically reasonable yet violate fundamental principles--a phenomenon we characterize as the "plausibility-validity gap." This challenge proves especially acute in…

Machine Learning · Computer Science 2026-01-07 Malikussaid , Hilal Hudan Nuha , Isman Kurniawan

Recent advancements in reasoning-reinforced Large Language Models (LLMs) have shown remarkable capabilities in complex reasoning tasks. However, the mechanism underlying their utilization of different human reasoning skills remains poorly…

Computation and Language · Computer Science 2025-08-15 Nghia Trung Ngo , Franck Dernoncourt , Thien Huu Nguyen

Large language models (LLMs) have emerged as transformative tools in medicine, with strong capabilities in language understanding, reasoning, and structured information extraction. Radiation oncology is particularly well suited for LLM…

Large language models (LLMs) are a promising venue for natural language understanding and generation. However, current LLMs are far from reliable: they are prone to generating non-factual information and, more crucially, to contradicting…

Computation and Language · Computer Science 2024-09-24 Diego Calanzone , Stefano Teso , Antonio Vergari

The patient-centered medical dialogue systems strive to offer diagnostic interpretation services to users who are less knowledgeable about medical knowledge, through emphasizing the importance of providing responses specific to the…

Computation and Language · Computer Science 2023-10-19 Chengfeng Dou , Zhi Jin , Wenping Jiao , Haiyan Zhao , Zhenwei Tao , Yongqiang Zhao

Large language models (LLMs) are increasingly touted as powerful tools for automating scientific information extraction. However, existing methods and tools often struggle with the realities of scientific literature: long-context documents,…

Large language models (LLMs) excel in speed and adaptability across various reasoning tasks, but they often struggle when strict logic or constraint enforcement is required. In contrast, Large Reasoning Models (LRMs) are specifically…

Recent advances in Large Multimodal Models (LMMs) have revolutionized their reasoning and Optical Character Recognition (OCR) capabilities. However, their complex logical reasoning performance on text-rich images remains underexplored. To…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Maoyuan Ye , Haibin He , Qihuang Zhong , Jing Zhang , Juhua Liu , Bo Du

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin