English
Related papers

Related papers: Structural Reasoning Improves Molecular Understand…

200 papers

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

Neural language models (LMs) perform well on tasks that require sensitivity to syntactic structure. Drawing on the syntactic priming paradigm from psycholinguistics, we propose a novel technique to analyze the representations that enable…

Computation and Language · Computer Science 2019-09-25 Grusha Prasad , Marten van Schijndel , Tal Linzen

Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have made significant advancements in reasoning capabilities. However, they still face challenges such as high computational demands and privacy concerns. This paper…

Numerical reasoning is an important task in the analysis of financial documents. It helps in understanding and performing numerical predictions with logical conclusions for the given query seeking answers from financial texts. Recently,…

Computation and Language · Computer Science 2026-01-13 Aryan Mishra , Akash Anil

Large Language Models (LLMs) have been shown to achieve breakthrough performance on complex logical reasoning tasks. Nevertheless, most existing research focuses on employing formal language to guide LLMs to derive reliable reasoning paths,…

Computation and Language · Computer Science 2025-05-23 Jin Jiang , Jianing Wang , Yuchen Yan , Yang Liu , Jianhua Zhu , Mengdi Zhang , Xunliang Cai , Liangcai Gao

Huge language models (LMs) have ushered in a new era for AI, serving as a gateway to natural-language-based knowledge tasks. Although an essential element of modern AI, LMs are also inherently limited in a number of ways. We discuss these…

Large language models (LLMs) have shown great potential in decision-making due to the vast amount of knowledge stored within the models. However, these pre-trained models are prone to lack reasoning abilities and are difficult to adapt to…

Machine Learning · Computer Science 2025-06-02 Wei Chen , Jiahao Zhang , Haipeng Zhu , Boyan Xu , Zhifeng Hao , Keli Zhang , Junjian Ye , Ruichu Cai

Large language models are often assumed to acquire increasingly structured, generalizable internal representations simply by scaling data and parameters. We interrogate this assumption by introducing a Clinical Trial Natural Language…

Artificial Intelligence · Computer Science 2025-08-15 Maël Jullien , Marco Valentino , André Freitas

Large language models (LLMs) have achieved significant advancements in reasoning capabilities through reinforcement learning (RL) via environmental exploration. As the intrinsic properties of the environment determine the abilities that…

Computation and Language · Computer Science 2026-05-04 Peng Yu , Zeyuan Zhao , Shao Zhang , Luoyi Fu , Xinbing Wang , Ying Wen

Semantic role labeling (SRL) is a crucial task of natural language processing (NLP). Although generative decoder-based large language models (LLMs) have achieved remarkable success across various NLP tasks, they still lag behind…

Computation and Language · Computer Science 2025-06-09 Xinxin Li , Huiyao Chen , Chengjun Liu , Jing Li , Meishan Zhang , Jun Yu , Min Zhang

We propose a novel framework for comprehending the reasoning capabilities of large language models (LLMs) through the perspective of meta-learning. By conceptualizing reasoning trajectories as pseudo-gradient descent updates to the LLM's…

Computation and Language · Computer Science 2025-05-27 Junnan Liu , Hongwei Liu , Linchen Xiao , Shudong Liu , Taolin Zhang , Zihan Ma , Songyang Zhang , Kai Chen

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

Artificial Intelligence · Computer Science 2026-05-22 Yuxuan Chen , Changwei Lv , Yunduo Xiao , Zhongjing Du , Daquan Zhou , Yukun Yan , Zheni Zeng , Zhiyuan Liu

Explicit structural information has been proven to be encoded by Graph Neural Networks (GNNs), serving as auxiliary knowledge to enhance model capabilities and improve performance in downstream NLP tasks. However, recent studies indicate…

Computation and Language · Computer Science 2025-06-30 Li Zhou , Hao Jiang , Junjie Li , Zefeng Zhao , Feng Jiang , Wenyu Chen , Haizhou Li

With recent advancements in Large Language Models (LLMs) and growing interest in retrieval-augmented generation (RAG), the ability to understand table structures has become increasingly important. This is especially critical in financial…

Computation and Language · Computer Science 2025-05-26 Hayato Aida , Kosuke Takahashi , Takahiro Omi

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language understanding and generation. However, they often struggle with complex reasoning tasks and are prone to hallucination. Recent research has shown…

Computation and Language · Computer Science 2024-12-17 Xue Wu , Kostas Tsioutsiouliklis

Multi-modal Large Language Models (MLLMs) have demonstrated remarkable reasoning capability while lack explicit mechanisms for visual grounding and segmentation, creating a gap between cognitive reasoning and visual perception. To bridge…

Computer Vision and Pattern Recognition · Computer Science 2025-06-06 Yi Lu , Jiawang Cao , Yongliang Wu , Bozheng Li , Licheng Tang , Yangguang Ji , Chong Wu , Jay Wu , Wenbo Zhu

Zero-shot reasoning methods with Large Language Models (LLMs) offer significant advantages including great generalization to novel tasks and reduced dependency on human-crafted examples. However, the current zero-shot methods still have…

Machine Learning · Computer Science 2024-10-28 Pengfei He , Zitao Li , Yue Xing , Yaling Li , Jiliang Tang , Bolin Ding

Recently, molecular relational learning, whose goal is to predict the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. In this work, we propose CMRL that is…

Machine Learning · Computer Science 2023-07-24 Namkyeong Lee , Kanghoon Yoon , Gyoung S. Na , Sein Kim , Chanyoung Park

Large Language Models (LLMs) encounter challenges with the unique syntax of specific domains, such as biomolecules. Existing fine-tuning or modality alignment techniques struggle to bridge the domain knowledge gap and understand complex…

Biomolecules · Quantitative Biology 2024-06-28 Jinzhe Liu , Xiangsheng Huang , Zhuo Chen , Yin Fang

For human cognitive process, spatial reasoning and perception are closely entangled, yet the nature of this interplay remains underexplored in the evaluation of multimodal large language models (MLLMs). While recent MLLM advancements show…

Computation and Language · Computer Science 2025-08-28 Chengzu Li , Wenshan Wu , Huanyu Zhang , Qingtao Li , Zeyu Gao , Yan Xia , José Hernández-Orallo , Ivan Vulić , Furu Wei