相关论文: Improving Molecule Generation and Drug Discovery w…

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.…

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…

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…

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…

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…

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…

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…

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…

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…

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(LLMs) have shown strong inductive reasoning ability across various domains, but their reliability is hindered by the outdated knowledge and hallucinations.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

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.…

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…

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)…

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…

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…

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…

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…

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…

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…