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Knowledge graphs (KGs) have proven to be effective for high-quality recommendation, where the connectivities between users and items provide rich and complementary information to user-item interactions. Most existing methods, however, are…

Information Retrieval · Computer Science 2021-09-16 Xiao Sha , Zhu Sun , Jie Zhang

We explore a "best-of-both" approach to modelling molecular properties by combining learned molecular descriptors from a graph neural network (GNN) with general-purpose descriptors and a mixed ensemble of machine learning (ML) models. We…

Research publications are the primary vehicle for sharing scientific progress in the form of new discoveries, methods, techniques, and insights. Unfortunately, the lack of a large-scale, comprehensive, and easy-to-use resource capturing the…

Artificial Intelligence · Computer Science 2023-05-22 Kian Ahrabian , Xinwei Du , Richard Delwin Myloth , Arun Baalaaji Sankar Ananthan , Jay Pujara

Sustainability disclosure standards (e.g., GRI, SASB, TCFD, IFRS S2) are comprehensive yet lengthy, terminology-dense, and highly cross-referential, hindering structured analysis and downstream use. We present SSKG Hub (Sustainability…

Computation and Language · Computer Science 2026-03-03 Chaoyue He , Xin Zhou , Xinjia Yu , Lei Zhang , Yan Zhang , Yi Wu , Lei Xiao , Liangyue Li , Di Wang , Hong Xu , Xiaoqiao Wang , Wei Liu , Chunyan Miao

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…

Machine Learning · Computer Science 2025-05-13 Zimo Yan , Jie Zhang , Zheng Xie , Chang Liu , Yizhen Liu , Yiping Song

Large scale pretrained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross domain generalization abilities. However, in graph learning, models are typically trained on…

Computation and Language · Computer Science 2025-10-03 Ruyue Liu , Rong Yin , Xiangzhen Bo , Xiaoshuai Hao , Yong Liu , Jinwen Zhong , Can Ma , Weiping Wang

Graph alignment, which aims at identifying corresponding entities across multiple networks, has been widely applied in various domains. As the graphs to be aligned are usually constructed from different sources, the inconsistency issues of…

Databases · Computer Science 2023-04-21 Jianheng Tang , Weiqi Zhang , Jiajin Li , Kangfei Zhao , Fugee Tsung , Jia Li

Metagenomic disease prediction commonly relies on species abundance tables derived from large, incomplete reference catalogs, constraining resolution and discarding valuable information contained in DNA reads. To overcome these limitations,…

Genomics · Quantitative Biology 2026-01-08 Gaspar Roy , Eugeni Belda , Baptiste Hennecart , Yann Chevaleyre , Edi Prifti , Jean-Daniel Zucker

With the rapid development of large language models (LLMs), their application to cell type annotation has drawn increasing attention. However, general-purpose LLMs often face limitations in this specific task due to the lack of guidance…

Computation and Language · Computer Science 2026-04-10 Dezheng Han , Yibin Jia , Ruxiao Chen , Wenjie Han , Shuaishuai Guo , Jianbo Wang

A scientific paper can be divided into two major constructs which are Metadata and Full-body text. Metadata provides a brief overview of the paper while the Full-body text contains key-insights that can be valuable to fellow researchers. To…

Digital Libraries · Computer Science 2023-08-28 Azanzi Jiomekong , Sanju Tiwari

Knowledge graphs (KGs) provide structured, verifiable grounding for large language models (LLMs), but current LLM-based systems commonly use KGs as auxiliary structures for text retrieval, leaving their intrinsic quality underexplored. In…

Computation and Language · Computer Science 2026-01-30 Alla Chepurova , Aydar Bulatov , Mikhail Burtsev , Yuri Kuratov

The reuse of atomistic simulation data is often limited by heterogeneous formats, incomplete metadata, and a lack of standardized representations of workflows and provenance. Here we present an ontology-based infrastructure for representing…

Databases · Computer Science 2026-04-09 Abril Azocar Guzman , Sarath Menon , Tilmann Hickel , Stefan Sandfeld

Metacognition-the ability to monitor one's own knowledge state, spot gaps, and autonomously fill them--remains largely absent from modern AI. Here, we present MetaKGEnrich, a fully automated pipeline that endows large language model (LLM)…

Artificial Intelligence · Computer Science 2026-05-19 Deniz Askin , Gal Hadar , Brendan Conway-Smith

The widening gap between known proteins and their functions has encouraged the development of methods to automatically infer annotations. Automatic functional annotation of proteins is expected to meet the conflicting requirements of…

Quantitative Methods · Quantitative Biology 2016-09-23 Imane Boudellioua , Rabie Saidi , Maria Martin , Robert Hoehndorf , Victor Solovyev

There is enormous growth in various fields of research. This development is accompanied by new problems. To solve these problems efficiently and in an optimized manner, algorithms are created and described by researchers in the scientific…

Artificial Intelligence · Computer Science 2022-05-27 Jyotima Patel , Biswanath Dutta

The construction of Generalized Knowledge Graph (GKG), including knowledge graph, event knowledge graph and commonsense knowledge graph, is fundamental for various natural language processing tasks. Current studies typically construct these…

Artificial Intelligence · Computer Science 2025-03-18 Jian Zhang , Bifan Wei , Shihao Qi , haiping Zhu , Jun Liu , Qika Lin

The rapid advancements in large language models (LLMs) have ignited interest in the temporal knowledge graph (tKG) domain, where conventional embedding-based and rule-based methods dominate. The question remains open of whether pre-trained…

Computation and Language · Computer Science 2024-04-18 Ruotong Liao , Xu Jia , Yangzhe Li , Yunpu Ma , Volker Tresp

Integrating multi-omics data, such as DNA methylation, mRNA expression, and microRNA (miRNA) expression, offers a comprehensive view of the biological mechanisms underlying disease. However, the high dimensionality of multi-omics data, the…

Machine Learning · Computer Science 2026-02-12 Tiantian Yang , Zhiqian Chen

A Knowledge Graph (KG) is the directed graphical representation of entities and relations in the real world. KG can be applied in diverse Natural Language Processing (NLP) tasks where knowledge is required. The need to scale up and complete…

Computation and Language · Computer Science 2024-04-19 Xincan Feng , Zhi Qu , Yuchang Cheng , Taro Watanabe , Nobuhiro Yugami

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.…

Artificial Intelligence · Computer Science 2026-05-12 Daniel Daza , Dimitrios Alivanistos , Payal Mitra , Thom Pijnenburg , Michael Cochez , Paul Groth