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Large language models (LLMs) excel on a variety of reasoning benchmarks, but previous studies suggest they sometimes struggle to generalize to unseen questions, potentially due to over-reliance on memorized training examples. However, the…

Computation and Language · Computer Science 2025-04-01 Yihuai Hong , Dian Zhou , Meng Cao , Lei Yu , Zhijing Jin

Large Language Models (LLMs) have demonstrated strong performance across a wide range of tasks, yet they still struggle with complex mathematical reasoning, a challenge fundamentally rooted in deep structural dependencies. To address this…

Artificial Intelligence · Computer Science 2025-12-01 Lei Zan , Keli Zhang , Ruichu Cai , Lujia Pan

Hierarchical Multiscale LSTM (Chung et al., 2016a) is a state-of-the-art language model that learns interpretable structure from character-level input. Such models can provide fertile ground for (cognitive) computational linguistics…

Computation and Language · Computer Science 2018-07-11 Ákos Kádár , Marc-Alexandre Côté , Grzegorz Chrupała , Afra Alishahi

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

Large language models (LLMs) have achieved impressive performance on knowledge-intensive tasks, yet they often struggle with multi-step reasoning due to the unstructured nature of retrieved context. While retrieval-augmented generation…

Computation and Language · Computer Science 2026-01-30 Pengcheng Jiang , Lang Cao , Ruike Zhu , Minhao Jiang , Yunyi Zhang , Jiaming Shen , Jimeng Sun , Jiawei Han

Large Language Models (LLMs) have demonstrated impressive progress in complex reasoning tasks, largely driven by the Chain-of-Thought (CoT) paradigm, which decomposes difficult problems into intermediate steps. However, CoT reasoning…

Symbolic Computation · Computer Science 2026-05-26 Rui Wang , Zeming Wei , Yihao Zhang , Xiaokun Luan

In this paper, we study how to improve the zero-shot reasoning ability of large language models~(LLMs) over structured data in a unified way. Inspired by the study on tool augmentation for LLMs, we develop an \emph{Iterative…

Computation and Language · Computer Science 2023-10-24 Jinhao Jiang , Kun Zhou , Zican Dong , Keming Ye , Wayne Xin Zhao , Ji-Rong Wen

Spatial relation reasoning is a crucial task for multimodal large language models (MLLMs) to understand the objective world. However, current benchmarks have issues like relying on bounding boxes, ignoring perspective substitutions, or…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Jingping Liu , Ziyan Liu , Zhedong Cen , Yan Zhou , Yinan Zou , Weiyan Zhang , Haiyun Jiang , Tong Ruan

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

We study syllogistic reasoning in LLMs from the logical and natural language perspectives. In process, we explore fundamental reasoning capabilities of the LLMs and the direction this research is moving forward. To aid in our studies, we…

Computation and Language · Computer Science 2025-12-30 Aheli Poddar , Saptarshi Sahoo , Sujata Ghosh

Large language models (LLMs) are increasingly used in domains where causal reasoning matters, yet it remains unclear whether their judgments reflect normative causal computation, human-like shortcuts, or brittle pattern matching. We…

Artificial Intelligence · Computer Science 2026-03-16 Hanna M. Dettki , Charley M. Wu , Bob Rehder

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent.…

Artificial Intelligence · Computer Science 2025-09-23 Hy Dang , Tianyi Liu , Zhuofeng Wu , Jingfeng Yang , Haoming Jiang , Tao Yang , Pei Chen , Zhengyang Wang , Helen Wang , Huasheng Li , Bing Yin , Meng Jiang

Understanding human intents from multimodal signals is critical for analyzing human behaviors and enhancing human-machine interactions in real-world scenarios. However, existing methods exhibit limitations in their modality-level reliance,…

Multimedia · Computer Science 2025-09-03 Qianrui Zhou , Hua Xu , Yifan Wang , Xinzhi Dong , Hanlei Zhang

Direction reasoning is essential for intelligent systems to understand the real world. While existing work focuses primarily on spatial reasoning, compass direction reasoning remains underexplored. To address this, we propose the Compass…

Artificial Intelligence · Computer Science 2024-12-24 Hang Yin , Zhifeng Lin , Xin Liu , Bin Sun , Kan Li

Large language models (LLMs) take sequences of subwords as input, requiring them to effective compose subword representations into meaningful word-level representations. In this paper, we present a comprehensive set of experiments to probe…

Computation and Language · Computer Science 2025-08-26 Qiwei Peng , Yekun Chai , Anders Søgaard

Agents powered by Large Language Models (LLMs) have recently demonstrated impressive capabilities in various tasks. Still, they face limitations in tasks requiring specific, structured knowledge, flexibility, or accountable decision-making.…

Artificial Intelligence · Computer Science 2025-04-14 Kostas Hatalis , Despina Christou , Vyshnavi Kondapalli

Predicting properties from coordinate-category data -- sets of vectors paired with categorical information -- is fundamental to computational science. In materials science, this challenge manifests as predicting properties like formation…

Materials Science · Physics 2025-07-10 Nawaf Alampara , Santiago Miret , Kevin Maik Jablonka

Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and…

Artificial Intelligence · Computer Science 2025-08-26 Kushal Raj Bhandari , Pin-Yu Chen , Jianxi Gao

This paper presents a comprehensive survey of the current status and opportunities for Large Language Models (LLMs) in strategic reasoning, a sophisticated form of reasoning that necessitates understanding and predicting adversary actions…

Computation and Language · Computer Science 2024-04-02 Yadong Zhang , Shaoguang Mao , Tao Ge , Xun Wang , Adrian de Wynter , Yan Xia , Wenshan Wu , Ting Song , Man Lan , Furu Wei