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Autoregressive large language models (LLMs) pre-trained by next token prediction are inherently proficient in generative tasks. However, their performance on knowledge-driven tasks such as factual knowledge querying remains unsatisfactory.…

Computation and Language · Computer Science 2026-01-14 Peng Yu , Cheng Deng , Beiya Dai , Xinbing Wang , Ying Wen

Clinical antimicrobial therapy requires the dynamic integration of pathogen profiles,host factors, pharmacological properties of antimicrobials,and the severity of infection. This complexity imposes fundamental limitations on the…

Artificial Intelligence · Computer Science 2025-11-27 Zhe Li , Yehan Qiu , Yujie Chen , Xiang Zhou

This paper introduces Knowledge Representation Augmented Generation (KRAG), a novel framework designed to enhance the capabilities of Large Language Models (LLMs) within domain-specific applications. KRAG points to the strategic inclusion…

Computation and Language · Computer Science 2024-10-11 Nguyen Ha Thanh , Ken Satoh

Knowledge Graphs (KG) and associated Knowledge Graph Embedding (KGE) models have recently begun to be explored in the context of drug discovery and have the potential to assist in key challenges such as target identification. In the drug…

Biomolecules · Quantitative Biology 2022-06-01 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Charles Tapley Hoyt , William L Hamilton

Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting…

Quantitative Methods · Quantitative Biology 2022-11-22 Fan Hu , Dongqi Wang , Huazhen Huang , Yishen Hu , Peng Yin

Large language models (LLMs) are transforming the way information is retrieved with vast amounts of knowledge being summarized and presented via natural language conversations. Yet, LLMs are prone to highlight the most frequently seen…

Computation and Language · Computer Science 2024-02-20 Julien Delile , Srayanta Mukherjee , Anton Van Pamel , Leonid Zhukov

The rapid expansion of publicly-available medical data presents a challenge for clinicians and researchers alike, increasing the gap between the volume of scientific literature and its applications. The steady growth of studies and findings…

Artificial Intelligence · Computer Science 2025-08-06 Taine J. Elliott , Stephen P. Levitt , Ken Nixon , Martin Bekker

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

Large language models (LLMs) have significantly advanced the field of natural language generation. However, they frequently generate unverified outputs, which compromises their reliability in critical applications. In this study, we propose…

Computation and Language · Computer Science 2025-02-18 Alexandru Lecu , Adrian Groza , Lezan Hawizy

Large Language Models (LLMs) have shown strong inductive reasoning ability across various domains, but their reliability is hindered by the outdated knowledge and hallucinations. Retrieval-Augmented Generation mitigates these issues by…

Computation and Language · Computer Science 2025-06-12 Tianjun Yao , Haoxuan Li , Zhiqiang Shen , Pan Li , Tongliang Liu , Kun Zhang

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

Recommender systems have become increasingly vital in our daily lives, helping to alleviate the problem of information overload across various user-oriented online services. The emergence of Large Language Models (LLMs) has yielded…

Information Retrieval · Computer Science 2025-05-29 Shijie Wang , Wenqi Fan , Yue Feng , Shanru Lin , Xinyu Ma , Shuaiqiang Wang , Dawei Yin

Large Language Models (LLMs) have demonstrated strong capabilities in web search and reasoning. However, their dependence on static training corpora makes them prone to factual errors and knowledge gaps. Retrieval-Augmented Generation (RAG)…

Artificial Intelligence · Computer Science 2026-01-26 Jiasheng Xu , Mingda Li , Yongqiang Tang , Peijie Wang , Wensheng Zhang

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Retrieval-Augmented Generation (RAG) enables large language models (LLMs) to access broader knowledge sources, yet factual inconsistencies persist due to noise in retrieved documents-even with advanced retrieval methods. We demonstrate that…

Computation and Language · Computer Science 2025-06-04 Yongjian Li , HaoCheng Chu , Yukun Yan , Zhenghao Liu , Shi Yu , Zheni Zeng , Ruobing Wang , Sen Song , Zhiyuan Liu , Maosong Sun

Conversational recommender systems (CRS) utilize natural language interactions and dialogue history to infer user preferences and provide accurate recommendations. Due to the limited conversation context and background knowledge, existing…

Computation and Language · Computer Science 2024-05-02 Zhangchi Qiu , Ye Tao , Shirui Pan , Alan Wee-Chung Liew

Knowledge graphs and structural causal models have each proven valuable for organizing biomedical knowledge and estimating causal effects, but remain largely disconnected: knowledge graphs encode qualitative relationships focusing on facts…

Artificial Intelligence · Computer Science 2025-05-13 Sumyyah Toonsi , Paul Schofield , Robert Hoehndorf

Large Language Models (LLMs) integrated with Retrieval-Augmented Generation (RAG) techniques have exhibited remarkable performance across a wide range of domains. However, existing RAG approaches primarily operate on unstructured data and…

Artificial Intelligence · Computer Science 2026-04-22 Ge Chang , Jinbo Su , Jiacheng Liu , Pengfei Yang , Yuhao Shang , Huiwen Zheng , Hongli Ma , Yan Liang , Yuanchun Li , Yunxin Liu

Knowledge Graphs (KGs) have emerged as invaluable resources for enriching recommendation systems by providing a wealth of factual information and capturing semantic relationships among items. Leveraging KGs can significantly enhance…

Information Retrieval · Computer Science 2023-12-29 Yangqin Jiang , Yuhao Yang , Lianghao Xia , Chao Huang

Retrieval-Augmented Generation (RAG) mitigates hallucination in Large Language Models (LLMs) by incorporating external data, with Knowledge Graphs (KGs) offering crucial information for question answering. Traditional Knowledge Graph…

Computation and Language · Computer Science 2025-09-08 Yushi Sun , Kai Sun , Yifan Ethan Xu , Xiao Yang , Xin Luna Dong , Nan Tang , Lei Chen