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Large Language Models (LLMs) have succeeded remarkably in various natural language processing (NLP) tasks, yet their reasoning capabilities remain a fundamental challenge. While LLMs exhibit impressive fluency and factual recall, their…

Computation and Language · Computer Science 2025-05-29 Avinash Patil , Aryan Jadon

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

Capitalizing on the remarkable advancements in Large Language Models (LLMs), there is a burgeoning initiative to harness LLMs for instruction following robotic navigation. Such a trend underscores the potential of LLMs to generalize…

Computer Vision and Pattern Recognition · Computer Science 2024-09-23 Gengze Zhou , Yicong Hong , Zun Wang , Xin Eric Wang , Qi Wu

Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in representing and understanding diverse modalities. However, they typically focus on modality alignment in a pairwise manner while overlooking structural…

Machine Learning · Computer Science 2025-06-13 Jiajin Liu , Dongzhe Fan , Jiacheng Shen , Chuanhao Ji , Daochen Zha , Qiaoyu Tan

Perception is a fundamental task in the field of computer vision, encompassing a diverse set of subtasks that can be systematically categorized into four distinct groups based on two dimensions: prediction type and instruction type.…

Computer Vision and Pattern Recognition · Computer Science 2025-07-23 Wentao Xiang , Haoxian Tan , Cong Wei , Yujie Zhong , Dengjie Li , Yujiu Yang

Capturing molecular knowledge with representation learning approaches holds significant potential in vast scientific fields such as chemistry and life science. An effective and generalizable molecular representation is expected to capture…

Machine Learning · Computer Science 2024-06-17 Yizhen Luo , Kai Yang , Massimo Hong , Xing Yi Liu , Zikun Nie , Hao Zhou , Zaiqing Nie

Molecular property prediction (MPP) is a fundamental and crucial task in drug discovery. However, prior methods are limited by the requirement for a large number of labeled molecules and their restricted ability to generalize for unseen and…

Quantitative Methods · Quantitative Biology 2024-10-21 Yuyan Liu , Sirui Ding , Sheng Zhou , Wenqi Fan , Qiaoyu Tan

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information.…

Machine Learning · Computer Science 2025-05-26 Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the…

Computation and Language · Computer Science 2024-09-18 Janice Ahn , Rishu Verma , Renze Lou , Di Liu , Rui Zhang , Wenpeng Yin

Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as…

Machine Learning · Computer Science 2025-02-14 Chengxin Hu , Hao Li , Yihe Yuan , Jing Li , Ivor Tsang

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Large Language Models (LLMs) have recently emerged as a focal point of research and application, driven by their unprecedented ability to understand and generate text with human-like quality. Even more recently, LLMs have been extended into…

Computation and Language · Computer Science 2024-04-03 Kilian Carolan , Laura Fennelly , Alan F. Smeaton

This paper provides a comprehensive survey of the latest research on multilingual large language models (MLLMs). MLLMs not only are able to understand and generate language across linguistic boundaries, but also represent an important…

Computation and Language · Computer Science 2024-11-20 Shaolin Zhu , Supryadi , Shaoyang Xu , Haoran Sun , Leiyu Pan , Menglong Cui , Jiangcun Du , Renren Jin , António Branco , Deyi Xiong

Large Language Models (LLMs) have emerged as powerful tools in the field of Natural Language Processing (NLP) and have recently gained significant attention in the domain of Recommendation Systems (RS). These models, trained on massive…

Information Retrieval · Computer Science 2024-06-19 Likang Wu , Zhi Zheng , Zhaopeng Qiu , Hao Wang , Hongchao Gu , Tingjia Shen , Chuan Qin , Chen Zhu , Hengshu Zhu , Qi Liu , Hui Xiong , Enhong Chen

Large Language Models (LLMs) have emerged as dominant foundational models in modern NLP. However, the understanding of their prediction processes and internal mechanisms, such as feed-forward networks (FFN) and multi-head self-attention…

Computation and Language · Computer Science 2024-04-16 Xintong Wang , Xiaoyu Li , Xingshan Li , Chris Biemann

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Genomics · Quantitative Biology 2024-09-24 Gonzalo Benegas , Chengzhong Ye , Carlos Albors , Jianan Canal Li , Yun S. Song

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper