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Large Language Models (LLMs) have the unique capability to understand and generate human-like text from input queries. When fine-tuned, these models show enhanced performance on domain-specific queries. OpenAI highlights the process of…

Computation and Language · Computer Science 2024-07-02 Scott Barnett , Zac Brannelly , Stefanus Kurniawan , Sheng Wong

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

This study deeply explores the application of large language model (LLM) in personalized recommendation system of e-commerce. Aiming at the limitations of traditional recommendation algorithms in processing large-scale and multi-dimensional…

Information Retrieval · Computer Science 2024-10-18 Wei Xu , Jue Xiao , Jianlong Chen

The proliferation of Large Language Models (LLMs) in medicine has enabled impressive capabilities, yet a critical gap remains in their ability to perform systematic, transparent, and verifiable reasoning, a cornerstone of clinical practice.…

Computation and Language · Computer Science 2025-08-04 Wenxuan Wang , Zizhan Ma , Meidan Ding , Shiyi Zheng , Shengyuan Liu , Jie Liu , Jiaming Ji , Wenting Chen , Xiang Li , Linlin Shen , Yixuan Yuan

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

As a vast number of ingredients exist in the culinary world, there are countless food ingredient pairings, but only a small number of pairings have been adopted by chefs and studied by food researchers. In this work, we propose KitcheNette…

Machine Learning · Computer Science 2019-08-20 Donghyeon Park , Keonwoo Kim , Yonggyu Park , Jungwoon Shin , Jaewoo Kang

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…

Computation and Language · Computer Science 2025-08-07 Mohammad Khodadad , Ali Shiraee Kasmaee , Mahdi Astaraki , Nicholas Sherck , Hamidreza Mahyar , Soheila Samiee

Large language models (LLMs) have demonstrated potential in the innovation of many disciplines. However, how they can best be developed for oncology remains underdeveloped. State-of-the-art OpenAI models were fine-tuned on a clinical…

Artificial Intelligence · Computer Science 2024-06-17 Tristen Pool , Dennis Trujillo

Fine-tuning Large Language Models (LLMs) incurs considerable training costs, driving the need for data-efficient training with optimised data ordering. Human-inspired strategies offer a solution by organising data based on human learning…

Computation and Language · Computer Science 2024-11-06 Yushi Yang , Andrew M. Bean , Robert McCraith , Adam Mahdi

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

With the advent of the information explosion era, the importance of recommendation systems in various applications is increasingly significant. Traditional collaborative filtering algorithms are widely used due to their effectiveness in…

Artificial Intelligence · Computer Science 2024-12-30 Xueting Lin , Zhan Cheng , Longfei Yun , Qingyi Lu , Yuanshuai Luo

Although large language models (LLMs) have been assessed for general medical knowledge using licensing exams, their ability to support clinical decision-making, such as selecting medical calculators, remains uncertain. We assessed nine…

Computation and Language · Computer Science 2025-03-25 Nicholas Wan , Qiao Jin , Joey Chan , Guangzhi Xiong , Serina Applebaum , Aidan Gilson , Reid McMurry , R. Andrew Taylor , Aidong Zhang , Qingyu Chen , Zhiyong Lu

Fine-grained ingredient recognition presents a significant challenge due to the diverse appearances of ingredients, resulting from different cutting and cooking methods. While existing approaches have shown promising results, they still…

Multimedia · Computer Science 2025-04-16 Yinxuan Gui , Bin Zhu , Jingjing Chen , Chong-Wah Ngo

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box…

Large language models (LLMs) rely on pretraining on massive and heterogeneous corpora, where training data composition has a decisive impact on training efficiency and downstream generalization under realistic compute and data budget…

Computation and Language · Computer Science 2026-04-21 Zhuo Chen , Yuxuan Miao , Supryadi , Deyi Xiong

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

The increasing complexity of clinical decision-making, alongside the rapid expansion of electronic health records (EHR), presents both opportunities and challenges for delivering data-informed care. This paper proposes a clinical decision…

Artificial Intelligence · Computer Science 2025-10-03 Leon Garza , Anantaa Kotal , Michael A. Grasso , Emre Umucu

The medical ecosystem consists of the training of new clinicians and researchers, the practice of clinical medicine, and areas of adjacent research. There are many aspects of these domains that could benefit from the application of task…

Computers and Society · Computer Science 2025-07-29 Elisha D. O. Roberson

Objective: Large language models (LLMs) are attracting increasing interest in healthcare. This commentary evaluates the potential of LLMs to improve clinical prediction models (CPMs) for diagnostic and prognostic tasks, with a focus on…

Computers and Society · Computer Science 2025-11-07 Yusuf Yildiz , Goran Nenadic , Meghna Jani , David A. Jenkins