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Quantitative structure-activity relationship assumes a smooth relationship between molecular structure and biological activity. However, activity cliffs defined as pairs of structurally similar compounds with large potency differences break…

Computational Engineering, Finance, and Science · Computer Science 2025-11-11 Hajung Kim , Jueon Park , Junseok Choe , Sheunheun Baek , Hyeon Hwang , Jaewoo Kang

Recently, link prediction algorithms based on neural embeddings have gained tremendous popularity in the Semantic Web community, and are extensively used for knowledge graph completion. While algorithmic advances have strongly focused on…

Artificial Intelligence · Computer Science 2020-08-31 Asan Agibetov , Matthias Samwald

Cracks provide an essential indicator of infrastructure performance degradation, and achieving high-precision pixel-level crack segmentation is an issue of concern. Unlike the common research paradigms that adopt novel artificial…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Zhili He , Wang Chen , Jian Zhang , Yu-Hsing Wang

Large Language Models (LLMs) have shown promising results on various language and vision tasks. Recently, there has been growing interest in applying LLMs to graph-based tasks, particularly on Text-Attributed Graphs (TAGs). However, most…

Machine Learning · Computer Science 2024-06-10 Zhongmou He , Jing Zhu , Shengyi Qian , Joyce Chai , Danai Koutra

Link prediction is pervasively employed to uncover the missing links in the snapshots of real-world networks, which are usually obtained from kinds of sampling methods. Contrarily, in the previous literature, in order to evaluate the…

Social and Information Networks · Computer Science 2014-10-28 Jichang Zhao , Xu Feng , Li Dong , Xiao Liang , Ke Xu

In this paper we address the problem of modeling relational data, which appear in many applications such as social network analysis, recommender systems and bioinformatics. Previous studies either consider latent feature based models but…

Data Structures and Algorithms · Computer Science 2012-04-13 Sheng Gao , Ludovic Denoyer , Patrick Gallinari

Data selection is critical for enhancing the performance of language models, particularly when aligning training datasets with a desired target distribution. This study explores the effects of different data selection methods and feature…

Computation and Language · Computer Science 2025-01-08 Jiayao Gu , Liting Chen , Yihong Li

With the explosion of graph-structured data, link prediction has emerged as an increasingly important task. Embedding methods for link prediction utilize neural networks to generate node embeddings, which are subsequently employed to…

Machine Learning · Computer Science 2023-06-21 Jun Fu , Xiaojuan Zhang , Shuang Li , Dali Chen

Dynamic networks have intrinsic structural, computational, and multidisciplinary advantages. Link prediction estimates the next relationship in dynamic networks. However, in the current link prediction approaches, only bipartite or…

Social and Information Networks · Computer Science 2020-06-09 Mohamoud Ali , Yugyung Lee , Praveen Rao

Representation learning methods for heterogeneous networks produce a low-dimensional vector embedding for each node that is typically fixed for all tasks involving the node. Many of the existing methods focus on obtaining a static vector…

Machine Learning · Computer Science 2021-04-28 Ping Wang , Khushbu Agarwal , Colby Ham , Sutanay Choudhury , Chandan K. Reddy

Influence estimation aims to predict the total influence spread in social networks and has received surged attention in recent years. Most current studies focus on estimating the total number of influenced users in a social network, and…

Social and Information Networks · Computer Science 2023-08-22 Yingdan Shi , Jingya Zhou , Congcong Zhang

Pre-training decoder-only language models relies on vast amounts of high-quality data, yet the availability of such data is increasingly reaching its limits. While metadata is commonly used to create and curate these datasets, its potential…

Computation and Language · Computer Science 2025-12-09 Sebastian Sztwiertnia , Felix Friedrich , Kristian Kersting , Patrick Schramowski , Björn Deiseroth

Understanding the intertwined contributions of amino acid sequence and spatial structure is essential to explain protein behaviour. Here, we introduce INFUSSE (Integrated Network Framework Unifying Structure and Sequence Embeddings), a deep…

Quantitative Methods · Quantitative Biology 2025-11-07 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

Capturing both the structural and temporal aspects of interactions is crucial for many real world datasets like contact between individuals. Using the link stream formalism to capture the dynamic of the systems, we tackle the issue of…

Social and Information Networks · Computer Science 2018-04-13 Thibaud Arnoux , Lionel Tabourier , Matthieu Latapy

Link prediction is an important network science problem in many domains such as social networks, chem/bio-informatics, etc. Most of these networks are dynamic in nature with patterns evolving over time. In such cases, it is necessary to…

Social and Information Networks · Computer Science 2015-09-18 Jeyanthi Narasimhan , Lawrence Holder

Recommender Systems (RS) shape the filtering and curation of online content, yet we have limited understanding of how predictable their recommendation outputs are. We propose data-driven metrics that quantify the predictability of…

Information Retrieval · Computer Science 2026-04-01 Andrés Abeliuk , Alfonso Valderrama , Simón Campos , Marcelo Mendoza

With the rise of tabular foundation models alongside traditional models still performing well on many tasks, choosing the right model for a tabular dataset remains difficult. We investigate whether dataset meta-features can explain…

Machine Learning · Computer Science 2026-05-29 Markus Herre , Andrej Tschalzev , Sascha Marton , Christian Bartelt

Software vulnerabilities represent one of the most pressing threats to computing systems. Identifying vulnerabilities in source code is crucial for protecting user privacy and reducing economic losses. Traditional static analysis tools rely…

Software Engineering · Computer Science 2024-10-25 Zhonghao Jiang , Weifeng Sun , Xiaoyan Gu , Jiaxin Wu , Tao Wen , Haibo Hu , Meng Yan

In this work, we study the correlation between attribute sets and the occurrence of dense subgraphs in large attributed graphs, a task we call structural correlation pattern mining. A structural correlation pattern is a dense subgraph…

Databases · Computer Science 2012-02-01 Arlei Silva , Wagner Meira , Mohammed J. Zaki

In the past, the dichotomy between homophily and heterophily has inspired research contributions toward a better understanding of Deep Graph Networks' inductive bias. In particular, it was believed that homophily strongly correlates with…

Machine Learning · Computer Science 2023-08-21 Daniele Castellana , Federico Errica
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