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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…

计算工程、金融与科学 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

数据结构与算法 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

计算与语言 · 计算机科学 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…

定量方法 · 定量生物学 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…

社会与信息网络 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

信息检索 · 计算机科学 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…

机器学习 · 计算机科学 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…

软件工程 · 计算机科学 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…

数据库 · 计算机科学 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…

机器学习 · 计算机科学 2023-08-21 Daniele Castellana , Federico Errica