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相关论文: K-Paths: Reasoning over Graph Paths for Drug Repur…

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Recent large language model (LLM) reasoning, despite its success, suffers from limited domain knowledge, susceptibility to hallucinations, and constrained reasoning depth, particularly in small-scale models deployed in resource-constrained…

人工智能 · 计算机科学 2025-03-04 Wenjie Wu , Yongcheng Jing , Yingjie Wang , Wenbin Hu , Dacheng Tao

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(LLMs) have shown strong inductive reasoning ability across various domains, but their reliability is hindered by the outdated knowledge and hallucinations.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…

计算与语言 · 计算机科学 2025-06-12 Tianjun Yao , Haoxuan Li , Zhiqiang Shen , Pan Li , Tongliang Liu , Kun Zhang

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

人工智能 · 计算机科学 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

机器学习 · 计算机科学 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we…

机器学习 · 计算机科学 2025-10-14 Aditya Malusare , Vineet Punyamoorty , Vaneet Aggarwal

Reasoning paths are reliable information in knowledge graph completion (KGC) in which algorithms can find strong clues of the actual relation between entities. However, in real-world applications, it is difficult to guarantee that…

信息检索 · 计算机科学 2025-10-08 Yanning Hou , Sihang Zhou , Ke Liang , Lingyuan Meng , Xiaoshu Chen , Ke Xu , Siwei Wang , Xinwang Liu , Jian Huang

In this paper, we aim to improve the reasoning ability of large language models (LLMs) over knowledge graphs (KGs) to answer complex questions. Inspired by existing methods that design the interaction strategy between LLMs and KG, we…

计算与语言 · 计算机科学 2024-02-20 Jinhao Jiang , Kun Zhou , Wayne Xin Zhao , Yang Song , Chen Zhu , Hengshu Zhu , Ji-Rong Wen

Retrieving targeted pathways in biological knowledge bases, particularly when incorporating wet-lab experimental data, remains a challenging task and often requires downstream analyses and specialized expertise. In this paper, we frame this…

机器学习 · 计算机科学 2026-04-14 Rikuto Kotoge , Ziwei Yang , Zheng Chen , Yushun Dong , Yasuko Matsubara , Jimeng Sun , Yasushi Sakurai

Large Language Models (LLMs) demonstrate impressive natural language capabilities but often struggle with knowledge-intensive reasoning tasks. Knowledge Base Question Answering (KBQA), which leverages structured Knowledge Graphs (KGs)…

计算与语言 · 计算机科学 2026-04-15 Shuai Wang , Yinan Yu

Link prediction (LP) is crucial for Knowledge Graphs (KG) completion but commonly suffers from interpretability issues. While several methods have been proposed to explain embedding-based LP models, they are generally limited to local…

人工智能 · 计算机科学 2024-12-09 Ye Sun , Lei Shi , Yongxin Tong

The reasoning process of Large Language Models (LLMs) is often plagued by hallucinations and missing facts in question-answering tasks. A promising solution is to ground LLMs' answers in verifiable knowledge sources, such as Knowledge…

Large language models (LLMs) offer new opportunities for constructing knowledge graphs (KGs) from unstructured clinical narratives. However, existing approaches often rely on structured inputs and lack robust validation of factual accuracy…

人工智能 · 计算机科学 2026-01-06 Udiptaman Das , Krishnasai B. Atmakuri , Duy Ho , Chi Lee , Yugyung Lee

As large language models (LLMs) continue to grow in size, their abilities to tackle complex tasks have significantly improved. However, issues such as hallucination and the lack of up-to-date knowledge largely remain unresolved. Knowledge…

人工智能 · 计算机科学 2026-03-17 Lihui Liu

Adoption of recently developed methods from machine learning has given rise to creation of drug-discovery knowledge graphs (KG) that utilize the interconnected nature of the domain. Graph-based modelling of the data, combined with KG…

机器学习 · 计算机科学 2022-07-27 Stephen Bonner , Ufuk Kirik , Ola Engkvist , Jian Tang , Ian P Barrett

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

机器学习 · 计算机科学 2025-11-11 Franklin Lee , Tengfei Ma

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…

Large Language Models (LLMs) have demonstrated remarkable capabilities in text generation and understanding, yet their reliance on implicit, unstructured knowledge often leads to factual inaccuracies and limited interpretability. Knowledge…

计算与语言 · 计算机科学 2025-06-17 Qinggang Zhang

Ensuring factual accuracy while maintaining the creative capabilities of Large Language Model Agents (LMAs) poses significant challenges in the development of intelligent agent systems. LMAs face prevalent issues such as information…

人工智能 · 计算机科学 2024-05-21 Diego Sanmartin

Knowledge graphs (KGs) are an important tool for representing complex relationships between entities in the biomedical domain. Several methods have been proposed for learning embeddings that can be used to predict new links in such graphs.…

人工智能 · 计算机科学 2026-05-12 Daniel Daza , Dimitrios Alivanistos , Payal Mitra , Thom Pijnenburg , Michael Cochez , Paul Groth

Large Language Models (LLMs) and Knowledge Graphs (KGs) offer a promising approach to robust and explainable Question Answering (QA). While LLMs excel at natural language understanding, they suffer from knowledge gaps and hallucinations.…

机器学习 · 计算机科学 2025-04-15 Jasper Linders , Jakub M. Tomczak