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In recent years, molecular representation learning has emerged as a key area of focus in various chemical tasks. However, many existing models fail to fully consider the geometric information of molecular structures, resulting in less…

机器学习 · 计算机科学 2023-06-29 Bumju Kwak , Jiwon Park , Taewon Kang , Jeonghee Jo , Byunghan Lee , Sungroh Yoon

With the release of GPT-4V(O), its use in generating pseudo labels for multi-modality tasks has gained significant popularity. However, it is still a secret how to build such advanced models from its base large language models (LLMs). This…

人工智能 · 计算机科学 2024-09-26 Mengchen Liu , Qixiu Li , Dongdong Chen , Dong Chen , Jianmin Bao , Yunsheng Li

Fully comprehending scientific papers by machines reflects a high level of Artificial General Intelligence, requiring the ability to reason across fragmented and heterogeneous sources of information, presenting a complex and practically…

计算与语言 · 计算机科学 2025-06-30 Yang Tian , Zheng Lu , Mingqi Gao , Zheng Liu , Bo Zhao

The large language model called ChatGPT has drawn extensively attention because of its human-like expression and reasoning abilities. In this study, we investigate the feasibility of using ChatGPT in experiments on using ChatGPT to…

Accurate and comprehensive material databases extracted from research papers are crucial for materials science and engineering, but their development requires significant human effort. With large language models (LLMs) transforming the way…

Cognitive psychology delves on understanding perception, attention, memory, language, problem-solving, decision-making, and reasoning. Large language models (LLMs) are emerging as potent tools increasingly capable of performing human-level…

计算与语言 · 计算机科学 2023-04-13 Sifatkaur Dhingra , Manmeet Singh , Vaisakh SB , Neetiraj Malviya , Sukhpal Singh Gill

In recent years, artificial intelligence has played an important role in medicine and disease diagnosis, with many applications to be mentioned, one of which is Medical Visual Question Answering (MedVQA). By combining computer vision and…

计算机视觉与模式识别 · 计算机科学 2023-11-21 Triet M. Thai , Anh T. Vo , Hao K. Tieu , Linh N. P. Bui , Thien T. B. Nguyen

Determining the extent to which the perceptual world can be recovered from language is a longstanding problem in philosophy and cognitive science. We show that state-of-the-art large language models can unlock new insights into this problem…

计算与语言 · 计算机科学 2023-06-16 Raja Marjieh , Ilia Sucholutsky , Pol van Rijn , Nori Jacoby , Thomas L. Griffiths

Applying AI foundation models directly to geospatial datasets remains challenging due to their limited ability to represent and reason with geographical entities, specifically vector-based geometries and natural language descriptions of…

计算与语言 · 计算机科学 2025-05-26 Yuhan Ji , Song Gao , Ying Nie , Ivan Majić , Krzysztof Janowicz

Recent advances in large language models (LLMs) have enabled general-purpose systems to perform increasingly complex domain-specific reasoning without extensive fine-tuning. In the medical domain, decision-making often requires integrating…

计算与语言 · 计算机科学 2025-08-14 Shansong Wang , Mingzhe Hu , Qiang Li , Mojtaba Safari , Xiaofeng Yang

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

人工智能 · 计算机科学 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

Large language models require vast amounts of high-quality training data, but effective filtering of web-scale datasets remains a significant challenge. This paper demonstrates that GPT-4o is remarkably effective at identifying high-quality…

计算与语言 · 计算机科学 2025-02-03 Jifan Zhang , Ziyue Luo , Jia Liu , Ness Shroff , Robert Nowak

We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…

Identifying scientific publications that are within a dynamic field of research often requires costly annotation by subject-matter experts. Resources like widely-accepted classification criteria or field taxonomies are unavailable for a…

计算与语言 · 计算机科学 2024-03-15 Autumn Toney-Wails , Christian Schoeberl , James Dunham

Large Language Models (LLMs) have shown promise in natural language processing tasks, with the potential to automate systematic reviews. This study evaluates the performance of three state-of-the-art LLMs in conducting systematic review…

信息检索 · 计算机科学 2025-02-25 Xi Chen , Xue 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…

人工智能 · 计算机科学 2023-07-12 Jiayan Guo , Lun Du , Hengyu Liu , Mengyu Zhou , Xinyi He , Shi Han

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

机器学习 · 计算机科学 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

As ChatGPT goes viral, generative AI (AIGC, a.k.a AI-generated content) has made headlines everywhere because of its ability to analyze and create text, images, and beyond. With such overwhelming media coverage, it is almost impossible for…

We demonstrate the potential of the state-of-the-art OpenAI GPT-4 large language model to engage in meaningful interactions with Astronomy papers using in-context prompting. To optimize for efficiency, we employ a distillation technique…

计算与语言 · 计算机科学 2023-09-13 Ioana Ciucă , Yuan-Sen Ting

Multi-modal large language models (MLLMs), such as GPT-4o, excel at integrating text and visual data but face systematic challenges when interpreting ambiguous or incomplete visual stimuli. This study leverages statistical modeling to…

机器学习 · 计算机科学 2024-12-09 Ching-Yi Wang