English
Related papers

Related papers: KEDRec-LM: A Knowledge-distilled Explainable Drug …

200 papers

Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

One of the major barriers to using large language models (LLMs) in medicine is the perception they use uninterpretable methods to make clinical decisions that are inherently different from the cognitive processes of clinicians. In this…

Computation and Language · Computer Science 2023-08-15 Thomas Savage , Ashwin Nayak , Robert Gallo , Ekanath Rangan , Jonathan H Chen

Artificial intelligence (AI) is reshaping modern healthcare by advancing disease diagnosis, treatment decision-making, and biomedical research. Among AI technologies, large language models (LLMs) have become especially impactful, enabling…

Artificial Intelligence · Computer Science 2025-11-18 Zhengda Wang , Daqian Shi , Jingyi Zhao , Xiaolei Diao , Xiongfeng Tang , Yanguo Qin

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug…

Despite advances in machine learning (ML) and large language models (LLMs), rule-based natural language processing (NLP) systems remain active in clinical settings due to their interpretability and operational efficiency. However, their…

Computation and Language · Computer Science 2025-06-23 Jianlin Shi , Brian T. Bucher

Recent advancements in Large Language Models (LLMs) have demonstrated significant promise in clinical diagnosis. However, current models struggle to emulate the iterative, diagnostic hypothesis-driven reasoning of real clinical scenarios.…

Computation and Language · Computer Science 2026-01-06 Qipeng Wang , Rui Sheng , Yafei Li , Huamin Qu , Yushi Sun , Min Zhu

Recent advances in large language models (LLMs) and the abundance of food data have resulted in studies to improve food understanding using LLMs. Despite several recommendation systems utilizing LLMs and Knowledge Graphs (KGs), there has…

Machine Learning · Computer Science 2025-05-21 Fnu Mohbat , Mohammed J Zaki

Large language models (LLMs) exhibit strong semantic understanding, yet struggle when user instructions involve ambiguous or conceptually misaligned terms. We propose the Language Graph Model (LGM) to enhance conceptual clarity by…

Computation and Language · Computer Science 2025-11-06 Wenchang Lei , Ping Zou , Yue Wang , Feng Sun , Lei Zhao

Large Language Models (LLMs) have significantly impacted nearly every domain of human knowledge. However, the explainability of these models esp. to laypersons, which are crucial for instilling trust, have been examined through various…

Human-Computer Interaction · Computer Science 2024-12-12 Arion Das , Asutosh Mishra , Amitesh Patel , Soumilya De , V. Gurucharan , Kripabandhu Ghosh

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

Large Language Models (LLMs) often struggle with dynamically changing knowledge and handling unknown static information. Retrieval-Augmented Generation (RAG) is employed to tackle these challenges and has a significant impact on improving…

Computation and Language · Computer Science 2025-09-18 Zhen Zhang , Xinyu Wang , Yong Jiang , Zile Qiao , Zhuo Chen , Guangyu Li , Feiteng Mu , Mengting Hu , Pengjun Xie , Fei Huang

Large language models (LLMs) have led to breakthroughs in language tasks, yet the internal mechanisms that enable their remarkable generalization and reasoning abilities remain opaque. This lack of transparency presents challenges such as…

Computation and Language · Computer Science 2024-04-17 Haiyan Zhao , Fan Yang , Bo Shen , Himabindu Lakkaraju , Mengnan Du

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Drug recommendation (DR) systems aim to support healthcare professionals in selecting appropriate medications based on patients' medical conditions. State-of-the-art approaches utilize deep learning techniques for improving DR, but fall…

Information Retrieval · Computer Science 2025-11-03 Yu Lin , Zhen Jia , Philipp Christmann , Xu Zhang , Shengdong Du , Tianrui Li

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

High-quality scientific extreme summary (TLDR) facilitates effective science communication. How do large language models (LLMs) perform in generating them? How are LLM-generated summaries different from those written by human experts?…

Computation and Language · Computer Science 2025-12-30 Zhuoqi Lyu , Qing Ke

Natural language processing evaluation has made significant progress, largely driven by the proliferation of powerful large language mod-els (LLMs). New evaluation benchmarks are of increasing priority as the reasoning capabilities of LLMs…

Computation and Language · Computer Science 2025-06-19 Joseph J. Peper , Wenzhao Qiu , Ali Payani , Lu Wang

Large language models (LLMs) have demonstrated outstanding performance in natural language processing tasks. However, in the field of recommender systems, due to the inherent structural discrepancy between user behavior data and natural…

Information Retrieval · Computer Science 2026-01-01 Zekun Liu , Xiaowen Huang , Jitao Sang

Clinical summarization is crucial in healthcare as it distills complex medical data into digestible information, enhancing patient understanding and care management. Large language models (LLMs) have shown significant potential in…

Computation and Language · Computer Science 2025-08-21 Anindya Bijoy Das , Shibbir Ahmed , Shahnewaz Karim Sakib

The integration of Artificial Intelligence (AI) into the field of drug discovery has been a growing area of interdisciplinary scientific research. However, conventional AI models are heavily limited in handling complex biomedical structures…

Machine Learning · Computer Science 2024-07-25 Zhiqiang Zhong , Anastasia Barkova , Davide Mottin