English
Related papers

Related papers: Can Large Language Models Understand Molecules?

200 papers

Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and…

Computation and Language · Computer Science 2025-07-03 Zihan Zhao , Da Ma , Lu Chen , Liangtai Sun , Zihao Li , Yi Xia , Bo Chen , Hongshen Xu , Zichen Zhu , Su Zhu , Shuai Fan , Guodong Shen , Kai Yu , Xin Chen

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of…

Machine Learning · Computer Science 2022-09-07 Walid Ahmad , Elana Simon , Seyone Chithrananda , Gabriel Grand , Bharath Ramsundar

This work explores expanding the capabilities of large language models (LLMs) pretrained on text to generate 3D meshes within a unified model. This offers key advantages of (1) leveraging spatial knowledge already embedded in LLMs, derived…

Machine Learning · Computer Science 2024-11-15 Zhengyi Wang , Jonathan Lorraine , Yikai Wang , Hang Su , Jun Zhu , Sanja Fidler , Xiaohui Zeng

Large Language Models (LLMs) have revo lutionized natural language processing Natural Language Processing (NLP), with Chat Generative Pre-trained Transformer (ChatGPT) standing out as a notable exampledue to its advanced capabilities and…

Computation and Language · Computer Science 2025-03-25 Azim Akhtarshenas , Afshin Dini , Navid Ayoobi

We present MeshLLM, a novel framework that leverages large language models (LLMs) to understand and generate text-serialized 3D meshes. Our approach addresses key limitations in existing methods, including the limited dataset scale when…

Large Language Models are versatile, general-purpose tools with a wide range of applications. Recently, the advent of "reasoning models" has led to substantial improvements in their abilities in advanced problem-solving domains such as…

Machine Learning · Computer Science 2025-07-14 Nicholas T. Runcie , Charlotte M. Deane , Fergus Imrie

While machine translation (MT) systems have seen significant improvements, it is still common for translations to reflect societal biases, such as gender bias. Decoder-only Large Language Models (LLMs) have demonstrated potential in MT,…

Computation and Language · Computer Science 2024-04-18 Eduardo Sánchez , Pierre Andrews , Pontus Stenetorp , Mikel Artetxe , Marta R. Costa-jussà

In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in…

Genomics · Quantitative Biology 2025-02-19 Wang Liang

Large Language Models (LLMs) exhibit strong general reasoning but struggle in molecular science due to the lack of explicit chemical priors in standard string representations. Current solutions face a fundamental dilemma. Training-based…

Computation and Language · Computer Science 2025-12-23 Mingxu Zhang , Dazhong Shen , Qi Zhang , Ying Sun

The immense number of parameters and deep neural networks make large language models (LLMs) rival the complexity of human brains, which also makes them opaque ``black box'' systems that are challenging to evaluate and interpret. AI…

Artificial Intelligence · Computer Science 2026-03-16 Yibai Li , Xiaolin Lin , Zhenghui Sha , Zhiye Jin , Xiaobing Li

Accurate representation of building semantics, encompassing both generic object types and specific subtypes, is essential for effective AI model training in the architecture, engineering, construction, and operation (AECO) industry.…

Artificial Intelligence · Computer Science 2026-02-18 Suhyung Jang , Ghang Lee , Jaekun Lee , Hyunjun Lee

This study explores the explainability capabilities of large language models (LLMs), when employed to autonomously generate machine learning (ML) solutions. We examine two classification tasks: (i) a binary classification problem focused on…

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

Artificial Intelligence · Computer Science 2025-07-08 Ruian Ke , Ruy M. Ribeiro

Large Language Models (LLMs) have demonstrated remarkable abilities in text comprehension and logical reasoning, indicating that the text representations learned by LLMs can facilitate their language processing capabilities. In…

Artificial Intelligence · Computer Science 2025-01-16 Yuqi Ren , Renren Jin , Tongxuan Zhang , Deyi Xiong

Large language models (LLMs) have attracted considerable attention as they are capable of showcasing impressive capabilities generating comparable high-quality responses to human inputs. LLMs, can not only compose textual scripts such as…

Computational Engineering, Finance, and Science · Computer Science 2024-05-31 Denish Omondi Otieno , Faranak Abri , Sima Siami-Namini , Akbar Siami Namin

Large Language Models (LLMs) have become a pivotal research area, potentially making beneficial contributions in fields like healthcare where they can streamline automated billing and decision support. However, the frequent use of…

Computation and Language · Computer Science 2024-06-10 Simon A. Lee , Timothy Lindsey

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 explores the potential of large language models (LLMs) as reliable analytical tools in linguistic research, focusing on the emergence of affective meanings in temporal expressions involving manner-of-motion verbs. While LLMs like…

Computation and Language · Computer Science 2025-07-15 Rosa Illan Castillo , Javier Valenzuela

Since the advent of GPT, large language models (LLMs) have brought about revolutionary advancements in all walks of life. As a superior natural language processing (NLP) technology, LLMs have consistently achieved state-of-the-art…

Networking and Internet Architecture · Computer Science 2024-06-26 Danshi Wang , Yidi Wang , Xiaotian Jiang , Yao Zhang , Yue Pang , Min Zhang