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Related papers: Can Large Language Models Understand Molecules?

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Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose

Generative artificial intelligence (AI) systems based on large-scale pretrained foundation models (PFMs) such as vision-language models, large language models (LLMs), diffusion models and vision-language-action (VLA) models have…

Artificial Intelligence · Computer Science 2025-01-07 Alhassan Mumuni , Fuseini Mumuni

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

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

Large language models~(LLM) like ChatGPT have become indispensable to artificial general intelligence~(AGI), demonstrating excellent performance in various natural language processing tasks. In the real world, graph data is ubiquitous and…

Artificial Intelligence · Computer Science 2023-07-12 Jiayan Guo , Lun Du , Hengyu Liu , Mengyu Zhou , Xinyi He , Shi Han

Generative Pretrained Transformers (GPTs) are foundational Large Language Models (LLMs) for text generation. However, individual LLMs often produce inconsistent outputs and exhibit biases, limiting their representation of diverse language…

Computation and Language · Computer Science 2025-08-06 Mari Ashiga , Wei Jie , Fan Wu , Vardan Voskanyan , Fateme Dinmohammadi , Paul Brookes , Jingzhi Gong , Zheng Wang

Pre-trained large language models(LLMs) have attracted increasing attention in biomedical domains due to their success in natural language processing. However, the complex traits and heterogeneity of multi-sources genomics data pose…

Computation and Language · Computer Science 2025-11-25 Yanjun Lyu , Zihao Wu , Lu Zhang , Jing Zhang , Yiwei Li , Wei Ruan , Zhengliang Liu , Zeyu Zhang , Xiang Li , Rongjie Liu , Chao Huang , Wentao Li , Tianming Liu , Dajiang Zhu

Robots are increasingly common in industry and daily life, such as in nursing homes where they can assist staff. A key challenge is developing intuitive interfaces for easy communication. The use of Large Language Models (LLMs) like GPT-4…

Robotics · Computer Science 2024-08-01 Stanislau Stankevich , Wojciech Dudek

The advent of large language models (LLMs) has gained tremendous attention over the past year. Previous studies have shown the astonishing performance of LLMs not only in other tasks but also in emotion recognition in terms of accuracy,…

Computation and Language · Computer Science 2023-10-24 Liyizhe Peng , Zixing Zhang , Tao Pang , Jing Han , Huan Zhao , Hao Chen , Björn W. Schuller

Language models for molecular design have scaled to hundreds of millions of parameters, yet how they learn chemical grammar is poorly understood. We train SMolLM, a 53K-parameter weight-shared transformer, to generate novel SMILES with 95%…

Machine Learning · Computer Science 2026-05-29 Akhil Jindal , Harang Ju

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

Background: Large Language Models (LLMs) are transforming artificial intelligence applications in healthcare due to their ability to understand, generate, and summarize complex medical text. They offer valuable support to clinicians,…

Computation and Language · Computer Science 2026-04-14 Subin Santhosh , Farwa Abbas , Hussain Ahmad , Claudia Szabo

The application of Large Language Models (LLMs) in software engineering, particularly in static analysis tasks, represents a paradigm shift in the field. In this paper, we investigate the role that current LLMs can play in improving…

Software Engineering · Computer Science 2024-02-28 Ashwin Prasad Shivarpatna Venkatesh , Samkutty Sabu , Amir M. Mir , Sofia Reis , Eric Bodden

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

The capabilities of large language models (LLMs) are widely regarded as relying on autoregressive models (ARMs). We challenge this notion by introducing LLaDA, a diffusion model trained from scratch under the pre-training and supervised…

Computation and Language · Computer Science 2025-10-21 Shen Nie , Fengqi Zhu , Zebin You , Xiaolu Zhang , Jingyang Ou , Jun Hu , Jun Zhou , Yankai Lin , Ji-Rong Wen , Chongxuan Li

Large language models (LLMs) have undergone significant expansion and have been increasingly integrated across various domains. Notably, in the realm of robot task planning, LLMs harness their advanced reasoning and language comprehension…

In the intersection of molecular science and deep learning, tasks like virtual screening have driven the need for a high-throughput molecular representation generator on large chemical databases. However, as SMILES strings are the most…

Computational Engineering, Finance, and Science · Computer Science 2021-12-28 Wenhao Zhu , Ziyao Li , Lingsheng Cai , Guojie Song

This survey paper delves into the emerging and critical area of symbolic knowledge distillation in Large Language Models (LLMs). As LLMs like Generative Pre-trained Transformer-3 (GPT-3) and Bidirectional Encoder Representations from…

Computation and Language · Computer Science 2024-08-21 Kamal Acharya , Alvaro Velasquez , Houbing Herbert Song

In the rapidly evolving landscape of genomics, deep learning has emerged as a useful tool for tackling complex computational challenges. This review focuses on the transformative role of Large Language Models (LLMs), which are mostly based…

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