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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…

计算与语言 · 计算机科学 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

When answering a question, humans utilize the information available across different modalities to synthesize a consistent and complete chain of thought (CoT). This process is normally a black box in the case of deep learning models like…

计算与语言 · 计算机科学 2022-10-18 Pan Lu , Swaroop Mishra , Tony Xia , Liang Qiu , Kai-Wei Chang , Song-Chun Zhu , Oyvind Tafjord , Peter Clark , Ashwin Kalyan

Chain-of-Thought (CoT) reasoning has emerged as a key technique for eliciting complex reasoning in Large Language Models (LLMs). Although interpretable, its dependence on natural language limits the model's expressive bandwidth. Continuous…

人工智能 · 计算机科学 2026-04-28 Sharan Ramjee

Large reasoning models (LRMs) increasingly rely on step-by-step Chain-of-Thought (CoT) reasoning to improve task performance, particularly in high-resource languages such as English. While recent work has examined final-answer accuracy in…

计算与语言 · 计算机科学 2025-10-13 Raoyuan Zhao , Yihong Liu , Hinrich Schütze , Michael A. Hedderich

Assessing higher-order thinking skills in large language models (LLMs) remains a fundamental challenge, especially in tasks that go beyond surface-level accuracy. In this work, we propose THiNK (Testing Higher-order Notion of Knowledge), a…

计算与语言 · 计算机科学 2025-05-27 Yongan Yu , Mengqian Wu , Yiran Lin , Nikki G. Lobczowski

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address…

Large language models (LLMs) like GPT-4, DeepSeek-R1, and ReasonFlux have shown significant improvements in various reasoning tasks. However, smaller LLMs still struggle with complex mathematical reasoning because they fail to effectively…

计算与语言 · 计算机科学 2025-02-27 Ling Yang , Zhaochen Yu , Tianjun Zhang , Minkai Xu , Joseph E. Gonzalez , Bin Cui , Shuicheng Yan

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

机器学习 · 计算机科学 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Recent advancements in multimodal large language models (MLLMs) have aimed to integrate and interpret data across diverse modalities. However, the capacity of these models to concurrently process and reason about multiple modalities remains…

Why do thinking language models like DeepSeek R1 outperform their base counterparts? Despite consistent performance gains, it remains unclear to what extent thinking models learn entirely new reasoning capabilities or repurpose pre-existing…

人工智能 · 计算机科学 2025-10-23 Constantin Venhoff , Iván Arcuschin , Philip Torr , Arthur Conmy , Neel Nanda

Large Language Models (LLMs) are increasingly deployed in critical applications requiring reliable reasoning, yet their internal reasoning processes remain difficult to evaluate systematically. Existing methods focus on final-answer…

机器学习 · 计算机科学 2026-02-03 Shaima Ahmad Freja , Ferhat Ozgur Catak , Betul Yurdem , Chunming Rong

Reasoning-enhanced large language models (LLMs) explicitly generate intermediate reasoning steps prior to generating final answers, helping the model excel in complex problem-solving. In this paper, we demonstrate that this emerging…

机器学习 · 计算机科学 2025-05-22 Tong Wu , Chong Xiang , Jiachen T. Wang , G. Edward Suh , Prateek Mittal

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic…

机器学习 · 计算机科学 2025-08-13 Tianyun Yang , Yunwen Li , Ziniu Li , Zhihang Lin , Ruoyu Sun , Tian Ding

Test-time scaling has enabled Large Language Models (LLMs) to tackle complex reasoning, yet the limitations of current Chain-of-Thought (CoT) evaluation obscures whether performance gains stem from genuine reasoning or mere verbosity. To…

人工智能 · 计算机科学 2026-01-08 Zhizhang Fu , Yuancheng Gu , Chenkai Hu , Hanmeng Liu , Yue Zhang

Logical reasoning is a fundamental aspect of human intelligence and an essential capability for multimodal large language models (MLLMs). Despite the significant advancement in multimodal reasoning, existing benchmarks fail to…

人工智能 · 计算机科学 2025-05-28 Jiakang Yuan , Tianshuo Peng , Yilei Jiang , Yiting Lu , Renrui Zhang , Kaituo Feng , Chaoyou Fu , Tao Chen , Lei Bai , Bo Zhang , Xiangyu Yue

First-order logic (FOL) reasoning, which involves sequential deduction, is pivotal for intelligent systems and serves as a valuable task for evaluating reasoning capabilities, particularly in chain-of-thought (CoT) contexts. Existing…

计算与语言 · 计算机科学 2025-03-04 Chengwen Qi , Ren Ma , Bowen Li , He Du , Binyuan Hui , Jinwang Wu , Yuanjun Laili , Conghui He

IQ testing has served as a foundational methodology for evaluating human cognitive capabilities, deliberately decoupling assessment from linguistic background, language proficiency, or domain-specific knowledge to isolate core competencies…

人工智能 · 计算机科学 2025-06-05 Huanqia Cai , Yijun Yang , Winston Hu

Large language models (LLMs) have recently demonstrated an impressive ability to perform arithmetic and symbolic reasoning tasks, when provided with a few examples at test time ("few-shot prompting"). Much of this success can be attributed…

计算与语言 · 计算机科学 2023-01-30 Luyu Gao , Aman Madaan , Shuyan Zhou , Uri Alon , Pengfei Liu , Yiming Yang , Jamie Callan , Graham Neubig

Hyperscaling of data and parameter count in LLMs is yielding diminishing improvement when weighed against training costs, underlining a growing need for more efficient finetuning and inference without sacrificing performance. This is…

计算机视觉与模式识别 · 计算机科学 2026-01-27 Moulik Choraria , Xinbo Wu , Akhil Bhimaraju , Nitesh Sekhar , Yue Wu , Xu Zhang , Prateek Singhal , Lav R. Varshney

Logical reasoning, i.e., deductively inferring the truth value of a conclusion from a set of premises, is an important task for artificial intelligence with wide potential impacts on science, mathematics, and society. While many…