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A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want…

Computation and Language · Computer Science 2025-05-29 Fangcong Yin , Zeyu Leo Liu , Liu Leqi , Xi Ye , Greg Durrett

Transformer language models have received widespread public attention, yet their generated text is often surprising even to NLP researchers. In this survey, we discuss over 250 recent studies of English language model behavior before…

Computation and Language · Computer Science 2023-08-29 Tyler A. Chang , Benjamin K. Bergen

Large Language Models(LLMs) have shown exceptional abilities, yet training these models can be quite challenging. There is a strong dependence on the quality of data and finding the best instruction tuning set. Further, the inherent…

Machine Learning · Computer Science 2024-06-28 Nikhil Kothari , Ravindra Nayak , Shreyas Shetty , Amey Patil , Nikesh Garera

Integrating free-text explanations to in-context learning of large language models (LLM) is shown to elicit strong reasoning capabilities along with reasonable explanations. In this paper, we consider the problem of leveraging the…

Computation and Language · Computer Science 2022-10-14 Shiyang Li , Jianshu Chen , Yelong Shen , Zhiyu Chen , Xinlu Zhang , Zekun Li , Hong Wang , Jing Qian , Baolin Peng , Yi Mao , Wenhu Chen , Xifeng Yan

Although recent advances in scaling large language models (LLMs) have resulted in improvements on many NLP tasks, it remains unclear whether these models trained primarily with general web text are the right tool in highly specialized,…

Video reasoning using Large Multimodal Models (LMMs) relies on costly reinforcement learning (RL) and verbose chain-of-thought, resulting in substantial computational overhead during both training and inference. Moreover, the mechanisms…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 Deepak Sridhar , Kartikeya Bhardwaj , Jeya Pradha Jeyaraj , Nuno Vasconcelos , Ankita Nayak , Harris Teague

When addressing professional questions in the biomedical domain, humans typically acquire multiple pieces of information as evidence and engage in multifaceted analysis to provide high-quality answers. Current LLM-based question answering…

Computation and Language · Computer Science 2025-09-03 Chang Zong , Jian Wan , Siliang Tang , Lei Zhang

Large Language Models (LLMs) have significantly advanced software engineering (SE) tasks, with prompt engineering techniques enhancing their performance in code-related areas. However, the rapid development of foundational LLMs such as the…

Software Engineering · Computer Science 2024-11-05 Guoqing Wang , Zeyu Sun , Zhihao Gong , Sixiang Ye , Yizhou Chen , Yifan Zhao , Qingyuan Liang , Dan Hao

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language…

Machine Learning · Computer Science 2025-12-10 Jaron Cohen , Alexander G. Hasson , Sara Tanovic

Modern language model development extends far beyond pretraining, yet environmental reporting remains narrowly focused on the cost of training a single final model. In this work, we provide the first detailed breakdown of the environmental…

Computers and Society · Computer Science 2026-05-05 Jacob Morrison , Noah A. Smith , Emma Strubell

We study how large language models (LLMs) reason about memorized knowledge through simple binary relations such as equality ($=$), inequality ($<$), and inclusion ($\subset$). Unlike in-context reasoning, the axioms (e.g., $a < b, b < c$)…

Machine Learning · Computer Science 2025-09-18 Jonathan Shaki , Emanuele La Malfa , Michael Wooldridge , Sarit Kraus

Inorganic synthesis planning currently relies primarily on heuristic approaches or machine-learning models trained on limited datasets, which constrains its generality. We demonstrate that language models, without task-specific fine-tuning,…

Materials Science · Physics 2025-06-17 Thorben Prein , Elton Pan , Janik Jehkul , Steffen Weinmann , Elsa A. Olivetti , Jennifer L. M. Rupp

Large language models are classically trained in stages: pretraining on raw text followed by post-training for instruction following and reasoning. However, this separation creates a fundamental limitation: many desirable behaviors such as…

Large Language Models often achieve strong performance by generating long intermediate chain-of-thought reasoning. However, it remains unclear when a model's final answer is actually determined during generation. If the answer is already…

Computation and Language · Computer Science 2026-04-27 Ayan Datta , Zhixue Zhao , Bhuvanesh Verma , Radhika Mamidi , Mounika Marreddy , Alexander Mehler

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Reasoning, the process of devising and executing complex goal-oriented action sequences, remains a critical challenge in AI. Current large language models (LLMs) primarily employ Chain-of-Thought (CoT) techniques, which suffer from brittle…

Artificial Intelligence · Computer Science 2025-08-05 Guan Wang , Jin Li , Yuhao Sun , Xing Chen , Changling Liu , Yue Wu , Meng Lu , Sen Song , Yasin Abbasi Yadkori

Humans ponder before articulating complex sentence elements, enabling deeper cognitive processing through focused effort. In this work, we introduce this pondering process into language models by repeatedly invoking the forward process…

Computation and Language · Computer Science 2026-02-23 Boyi Zeng , Shixiang Song , Siyuan Huang , Yixuan Wang , He Li , Ziwei He , Xinbing Wang , Zhiyu Li , Zhouhan Lin

Do large language models reason morally, or do they merely sound like they do? We investigate whether LLM responses to moral dilemmas exhibit genuine developmental progression through Kohlberg's stages of moral development, or whether…

Artificial Intelligence · Computer Science 2026-03-24 Aryan Kasat , Smriti Singh , Aman Chadha , Vinija Jain

Chemical Language Models (CLMs) pre-trained on large scale molecular data are widely used for molecular property prediction. However, the common belief that increasing training resources such as model size, dataset size, and training…

Machine Learning · Computer Science 2026-05-14 Tatsuya Sagawa , Ryosuke Kojima

Current research efforts are focused on enhancing the thinking and reasoning capability of large language model (LLM) by prompting, data-driven emergence and inference-time computation. In this study, we consider stimulating language…

Computation and Language · Computer Science 2026-04-30 Ningyuan Xi , Xiaoyu Wang , Yetao Wu , Teng Chen , Qingqing Gu , Yue Zhao , Jinxian Qu , Zhonglin Jiang , Yong Chen , Luo Ji