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Mathematical reasoning is essential for problem-solving in education, science, and industry, serving as a crucial benchmark for evaluating artificial intelligence systems. As Large Language Models (LLMs) improve their reasoning…

Computation and Language · Computer Science 2026-05-20 Husnain Amjad , Raja Khurram Shahzad , Aamir Shahzad , Mehwish Fatima

Mathematical reasoning has long represented one of the most fundamental and challenging frontiers in artificial intelligence research. In recent years, large language models (LLMs) have achieved significant advances in this area. This…

Artificial Intelligence · Computer Science 2025-06-11 Peng-Yuan Wang , Tian-Shuo Liu , Chenyang Wang , Yi-Di Wang , Shu Yan , Cheng-Xing Jia , Xu-Hui Liu , Xin-Wei Chen , Jia-Cheng Xu , Ziniu Li , Yang Yu

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

We introduce ChemPro, a progressive benchmark with 4100 natural language question-answer pairs in Chemistry, across 4 coherent sections of difficulty designed to assess the proficiency of Large Language Models (LLMs) in a broad spectrum of…

Computation and Language · Computer Science 2026-04-22 Aaditya Baranwal , Shruti Vyas

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

Large language models (LLMs) with billions of parameters exhibit in-context learning abilities, enabling few-shot learning on tasks that the model was not specifically trained for. Traditional models achieve breakthrough performance on…

Artificial Intelligence · Computer Science 2025-11-04 Aske Plaat , Annie Wong , Suzan Verberne , Joost Broekens , Niki van Stein , Thomas Back

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Recent success of pre-trained language models (LMs) has spurred widespread interest in the language capabilities that they possess. However, efforts to understand whether LM representations are useful for symbolic reasoning tasks have been…

Computation and Language · Computer Science 2020-11-20 Alon Talmor , Yanai Elazar , Yoav Goldberg , Jonathan Berant

Recent advancements in large language models (LLMs) have resulted in increasingly anthropomorphic language concerning the ability of LLMs to reason. Whether reasoning in LLMs should be understood to be inherently different is, however,…

Machine Learning · Computer Science 2025-07-28 Bertram Højer , Oliver Jarvis , Stefan Heinrich

Reasoning, as an essential ability for complex problem-solving, can provide back-end support for various real-world applications, such as medical diagnosis, negotiation, etc. This paper provides a comprehensive survey of cutting-edge…

Computation and Language · Computer Science 2023-09-19 Shuofei Qiao , Yixin Ou , Ningyu Zhang , Xiang Chen , Yunzhi Yao , Shumin Deng , Chuanqi Tan , Fei Huang , Huajun Chen

This paper assesses the ability of large language models (LLMs) to translate texts that include inter-sentential dependencies. We use the English-French DiscEvalMT benchmark (Bawden et al., 2018) with pairs of sentences containing…

Computation and Language · Computer Science 2026-03-09 Shabnam Ataee , Hugo Huart , Andrei Popescu-Belis

Large language models (LLMs) empowered by chain-of-thought reasoning have achieved impressive accuracy on complex tasks but suffer from excessive inference costs and latency when applied uniformly to all problems. We propose SABER…

Computation and Language · Computer Science 2025-08-15 Kai Zhao , Yanjun Zhao , Jiaming Song , Shien He , Lusheng Zhang , Qiang Zhang , Tianjiao Li

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Recently developed large language models (LLMs) have been shown to perform remarkably well on a wide range of language understanding tasks. But, can they really "reason" over the natural language? This question has been receiving…

Computation and Language · Computer Science 2024-06-07 Mihir Parmar , Nisarg Patel , Neeraj Varshney , Mutsumi Nakamura , Man Luo , Santosh Mashetty , Arindam Mitra , Chitta Baral

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Zihan Zhao , Ziping Wan , Lu Chen , Xuanze Lin , Shiyang Yu , Situo Zhang , Da Ma , Zichen Zhu , Danyang Zhang , Huayang Wang , Zhongyang Dai , Liyang Wen , Bo Chen , Xin Chen , Kai Yu

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical…

Artificial Intelligence · Computer Science 2026-01-12 Weichen Dai , Yezeng Chen , Zijie Dai , Yubo Liu , Zhijie Huang , Yixuan Pan , Baiyang Song , Chengli Zhong , Xinhe Li , Zeyu Wang , Zhuoying Feng , Yi Zhou

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

Pretraining language models directly on web-scale corpora is the de facto paradigm. We study an alternative where the model is initially exposed to abstract structured data to ease the subsequent acquisition of rich semantic knowledge, much…

Computation and Language · Computer Science 2026-05-29 Liangze Jiang , Zachary Shinnick , Anton van den Hengel , Hemanth Saratchandran , Damien Teney

Large language models (LLMs) solve complex problems yet fail on simpler variants, suggesting they achieve correct outputs through mechanisms fundamentally different from human reasoning. To understand this gap, we synthesize cognitive…

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…

Artificial Intelligence · Computer Science 2025-11-05 Jiaqing Xie , Weida Wang , Ben Gao , Zhuo Yang , Haiyuan Wan , Shufei Zhang , Tianfan Fu , Yuqiang Li