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Related papers: Natural Language Processing for Drug Discovery Kno…

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Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Large Language Models (LLMs) might hallucinate facts, while curated Knowledge Graph (KGs) are typically factually reliable especially with domain-specific knowledge. Measuring the alignment between KGs and LLMs can effectively probe the…

Artificial Intelligence · Computer Science 2024-08-02 Shangshang Zheng , He Bai , Yizhe Zhang , Yi Su , Xiaochuan Niu , Navdeep Jaitly

Knowledge graphs (KGs) are a popular way to organise information based on ontologies or schemas and have been used across a variety of scenarios from search to recommendation. Despite advances in KGs, representing knowledge remains a…

Artificial Intelligence · Computer Science 2023-10-10 Christos Theodoropoulos , Natasha Mulligan , Thaddeus Stappenbeck , Joao Bettencourt-Silva

Electronic Health Records (EHRs) and routine documentation practices play a vital role in patients' daily care, providing a holistic record of health, diagnoses, and treatment. However, complex and verbose EHR narratives overload healthcare…

Computation and Language · Computer Science 2025-02-26 Yanjun Gao , Ruizhe Li , Emma Croxford , John Caskey , Brian W Patterson , Matthew Churpek , Timothy Miller , Dmitriy Dligach , Majid Afshar

While Language Models (LMs) are the workhorses of NLP, their interplay with structured knowledge graphs (KGs) is still actively researched. Current methods for encoding such graphs typically either (i) linearize them for embedding with LMs…

Computation and Language · Computer Science 2024-06-04 Moritz Plenz , Anette Frank

Most Knowledge Graphs (KGs) contain textual descriptions of entities in various natural languages. These descriptions of entities provide valuable information that may not be explicitly represented in the structured part of the KG. Based on…

Computation and Language · Computer Science 2020-04-23 Genet Asefa Gesese , Mehwish Alam , Harald Sack

We present a mixed-methods study to explore how large language models (LLMs) can assist users in the visual exploration and analysis of knowledge graphs (KGs). We surveyed and interviewed 20 professionals from industry, government…

Human-Computer Interaction · Computer Science 2024-04-03 Harry Li , Gabriel Appleby , Ashley Suh

Knowledge graphs (KGs) consist of links that describe relationships between entities. Due to the difficulty of manually enumerating all relationships between entities, automatically completing them is essential for KGs. Knowledge Graph…

Computation and Language · Computer Science 2024-06-07 Yusuke Sakai , Hidetaka Kamigaito , Katsuhiko Hayashi , Taro Watanabe

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing…

Machine Learning · Computer Science 2025-06-03 Zhengyu Fang , Xiaoge Zhang , Anyin Zhao , Xiao Li , Huiyuan Chen , Jing Li

This paper shows how to construct knowledge graphs (KGs) from pre-trained language models (e.g., BERT, GPT-2/3), without human supervision. Popular KGs (e.g, Wikidata, NELL) are built in either a supervised or semi-supervised manner,…

Computation and Language · Computer Science 2020-10-26 Chenguang Wang , Xiao Liu , Dawn Song

Recent advancements in Large Language Models (LLMs) have showcased their proficiency in answering natural language queries. However, their effectiveness is hindered by limited domain-specific knowledge, raising concerns about the…

Knowledge Graphs (KG) provide us with a structured, flexible, transparent, cross-system, and collaborative way of organizing our knowledge and data across various domains in society and industrial as well as scientific disciplines. KGs…

The automatic construction of knowledge graphs (KGs) is an important research area in medicine, with far-reaching applications spanning drug discovery and clinical trial design. These applications hinge on the accurate identification of…

Computation and Language · Computer Science 2025-01-30 Vahan Arsenyan , Spartak Bughdaryan , Fadi Shaya , Kent Small , Davit Shahnazaryan

Reasoning with knowledge expressed in natural language and Knowledge Bases (KBs) is a major challenge for Artificial Intelligence, with applications in machine reading, dialogue, and question answering. General neural architectures that…

Machine Learning · Computer Science 2019-12-24 Pasquale Minervini , Matko Bošnjak , Tim Rocktäschel , Sebastian Riedel , Edward Grefenstette

Large language models (LLMs) often struggle with knowledge-intensive tasks due to a lack of background knowledge and a tendency to hallucinate. To address these limitations, integrating knowledge graphs (KGs) with LLMs has been intensively…

Computation and Language · Computer Science 2025-06-13 Yilin Xiao , Chuang Zhou , Qinggang Zhang , Bo Li , Qing Li , Xiao Huang

Knowledge Graphs (KGs) are a powerful representation of linked data, offering flexibility, semantic richness, and support for knowledge enrichment and reasoning. They help data owners organize and exploit heterogeneous data to provide…

Cryptography and Security · Computer Science 2026-05-20 Yasmine Hayder

Knowledge Graph (KG) reasoning, which aims to infer new facts from structured knowledge repositories, plays a vital role in Natural Language Processing (NLP) systems. Its effectiveness critically depends on constructing informative and…

Machine Learning · Computer Science 2025-08-26 Enjun Du , Siyi Liu , Yongqi Zhang

Prior work on Data-To-Text Generation, the task of converting knowledge graph (KG) triples into natural text, focused on domain-specific benchmark datasets. In this paper, however, we verbalize the entire English Wikidata KG, and discuss…

Computation and Language · Computer Science 2021-03-16 Oshin Agarwal , Heming Ge , Siamak Shakeri , Rami Al-Rfou

Narrative data spans all disciplines and provides a coherent model of the world to the reader or viewer. Recent advancement in machine learning and Large Language Models (LLMs) have enable great strides in analyzing natural language.…

Injecting textual information into knowledge graph (KG) entity representations has been a worthwhile expedition in terms of improving performance in KG oriented tasks within the NLP community. External knowledge often adopted to enhance KG…

Computation and Language · Computer Science 2023-10-26 Micheal Abaho , Yousef H. Alfaifi