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Large Language Models (LLMs) have shown impressive performance on complex tasks through Chain-of-Thought (CoT) reasoning. However, conventional CoT relies on explicitly verbalized intermediate steps, which constrains its broader…

Computation and Language · Computer Science 2025-11-04 Xinghao Chen , Anhao Zhao , Heming Xia , Xuan Lu , Hanlin Wang , Yanjun Chen , Wei Zhang , Jian Wang , Wenjie Li , Xiaoyu Shen

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, especially when guided by explicit chain-of-thought (CoT) reasoning that verbalizes intermediate steps. While CoT improves both interpretability and accuracy,…

This position paper argues that large language model (LLM) reasoning should be studied as latent-state trajectory formation rather than as faithful surface chain-of-thought (CoT). This matters because claims about faithfulness,…

Artificial Intelligence · Computer Science 2026-04-20 Wenshuo Wang

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

Reasoning-oriented Large Language Models (LLMs) often rely on generating explicit tokens step by step, and their effectiveness typically hinges on large-scale supervised fine-tuning or reinforcement learning. While Chain-of-Thought (CoT)…

Computation and Language · Computer Science 2025-09-30 Haoyu Zheng , Zhuonan Wang , Yuqian Yuan , Tianwei Lin , Wenqiao Zhang , Zheqi Lv , Juncheng Li , Siliang Tang , Yueting Zhuang , Hongyang He

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

Artificial Intelligence · Computer Science 2026-01-08 Hao Li , He Cao , Bin Feng , Yanjun Shao , Xiangru Tang , Zhiyuan Yan , Li Yuan , Yonghong Tian , Yu Li

Large language models (LLMs) are typically constrained to reason in the language space, where they express the reasoning process through a chain-of-thought (CoT) to solve complex problems. However, the language space may not always be…

Computation and Language · Computer Science 2025-11-04 Shibo Hao , Sainbayar Sukhbaatar , DiJia Su , Xian Li , Zhiting Hu , Jason Weston , Yuandong Tian

Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens,…

Computation and Language · Computer Science 2025-06-11 Tergel Munkhbat , Namgyu Ho , Seo Hyun Kim , Yongjin Yang , Yujin Kim , Se-Young Yun

Chain-of-Thought (CoT) prompting has improved the reasoning performance of large language models (LLMs), but it remains unclear why it works and whether it is the unique mechanism for triggering reasoning in large language models. In this…

Computation and Language · Computer Science 2026-01-14 Zhenghao He , Guangzhi Xiong , Bohan Liu , Sanchit Sinha , Aidong Zhang

Large Language Models (LLMs) have demonstrated strong reasoning capabilities through \emph{Chain-of-Thought} (CoT) prompting, which enables step-by-step intermediate reasoning. However, explicit CoT methods rely on discrete token-level…

Computation and Language · Computer Science 2025-11-11 Zhikang Chen , Sen Cui , Deheng Ye , Yu Zhang , Yatao Bian , Tingting Zhu

Latent tokens are gaining attention for enhancing reasoning in large language models (LLMs), yet their internal mechanisms remain unclear. This paper examines the problem from a reliability perspective, uncovering fundamental weaknesses:…

Computation and Language · Computer Science 2025-12-29 Yuyi Zhang , Boyu Tang , Tianjie Ju , Sufeng Duan , Gongshen Liu

Reasoning with a chain-of-thought (CoT) enables Large Language Models (LLMs) to solve complex tasks but incurs significant inference costs due to the generation of long rationales. We propose Thinking States, a method that performs…

Computation and Language · Computer Science 2026-02-10 Ido Amos , Avi Caciularu , Mor Geva , Amir Globerson , Jonathan Herzig , Lior Shani , Idan Szpektor

Chain-of-thought (CoT) reasoning improves large language models (LLMs) on difficult tasks, but it also makes inference expensive because every intermediate step must be generated as a discrete token. Latent reasoning reduces visible token…

Computation and Language · Computer Science 2026-05-11 Xuan Li , Yining Wang , Yuchen Liu , Guanjun Liu , Delai Qiu , Shengping Liu , Jiaen Liang , Wei Huang , Jun Yu , Junnan Zhu

Chain-of-thought (CoT) reasoning has become a central mechanism for eliciting multi-step reasoning in Large Language Models (LLMs). Yet recent evidence presents a tension: hidden states appear to already encode future reasoning before CoT…

Machine Learning · Computer Science 2026-05-29 Liyan Xu , Mo Yu , Fandong Meng , Jie Zhou

In the field of chemical engineering, traditional data-processing and prediction methods face significant challenges. Machine-learning and large-language models (LLMs) also have their respective limitations. This paper explores the…

Machine Learning · Computer Science 2025-02-19 Tianhang Zhou , Yingchun Niu , Xingying Lan , Chunming Xu

Chain-of-Thought (CoT) reasoning enables Large Language Models (LLMs) to solve complex reasoning tasks by generating intermediate reasoning steps. However, most existing approaches focus on hard token decoding, which constrains reasoning…

Computation and Language · Computer Science 2025-05-28 Yige Xu , Xu Guo , Zhiwei Zeng , Chunyan Miao

Large reasoning models (LRMs) achieve strong performance on mathematical reasoning tasks, often attributed to their capability to generate explicit chain-of-thought (CoT) explanations. However, recent work shows that LRMs often arrive at…

Computation and Language · Computer Science 2026-04-20 Yihong Liu , Raoyuan Zhao , Hinrich Schütze , Michael A. Hedderich

Large language models (LLMs) have dramatically enhanced the field of language intelligence, as demonstrably evidenced by their formidable empirical performance across a spectrum of complex reasoning tasks. Additionally, theoretical proofs…

Computation and Language · Computer Science 2023-11-21 Zhuosheng Zhang , Yao Yao , Aston Zhang , Xiangru Tang , Xinbei Ma , Zhiwei He , Yiming Wang , Mark Gerstein , Rui Wang , Gongshen Liu , Hai Zhao

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

Chain of thought (CoT) elicits reasoning in large language models by explicitly generating intermediate tokens. In contrast, latent thought reasoning operates directly in the continuous latent space, enabling computation beyond discrete…

Artificial Intelligence · Computer Science 2026-05-13 Kevin Xu , Issei Sato
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