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Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous…

Machine Learning · Computer Science 2024-06-14 Zuoyu Yan , Junru Zhou , Liangcai Gao , Zhi Tang , Muhan Zhang

We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximum clique (MC) problem. We construct a loss function with two terms, one which encourages the network to find highly…

Machine Learning · Computer Science 2022-11-29 Yimeng Min , Frederik Wenkel , Michael Perlmutter , Guy Wolf

Bayesian Neural Networks (BNNs) provide a promising framework for modeling predictive uncertainty and enhancing out-of-distribution robustness (OOD) by estimating the posterior distribution of network parameters. Stochastic Gradient Markov…

Machine Learning · Computer Science 2025-03-04 Hyunsu Kim , Giung Nam , Chulhee Yun , Hongseok Yang , Juho Lee

Quantitative verification can provide deep insights into reliable Network-On-Chip (NoC) designs. It is critical to understanding and mitigating operational issues caused by power supply noise (PSN) early in the design process: fluctuations…

Logic in Computer Science · Computer Science 2025-11-19 Nick Waddoups , Jonah Boe , Arnd Hartmanns , Prabal Basu , Sanghamitra Roy , Koushik Chakraborty , Zhen Zhang

Formal verification of neural networks is essential for their deployment in safety-critical areas. Many available formal verification methods have been shown to be instances of a unified Branch and Bound (BaB) formulation. We propose a…

Machine Learning · Computer Science 2019-12-04 Jingyue Lu , M. Pawan Kumar

Bayesian Neural Networks(BNNs) with high-dimensional parameters pose a challenge for posterior inference due to the multi-modality of the posterior distributions. Stochastic Gradient MCMC(SGMCMC) with cyclical learning rate scheduling is a…

Machine Learning · Computer Science 2024-08-20 SeungHyun Kim , Seohyeon Jung , Seonghyeon Kim , Juho Lee

Many cluster similarity indices are used to evaluate clustering algorithms, and choosing the best one for a particular task remains an open problem. We demonstrate that this problem is crucial: there are many disagreements among the…

Discrete Mathematics · Computer Science 2021-08-27 Martijn Gösgens , Alexey Tikhonov , Liudmila Prokhorenkova

We present an efficient parametric model checking (PMC) technique for the analysis of software performability, i.e., of the performance and dependability properties of software systems. The new PMC technique works by automatically…

Logic in Computer Science · Computer Science 2022-10-25 Xinwei Fang , Radu Calinescu , Simos Gerasimou , Faisal Alhwikem

The clustering of unlabeled raw images is a daunting task, which has recently been approached with some success by deep learning methods. Here we propose an unsupervised clustering framework, which learns a deep neural network in an…

Computer Vision and Pattern Recognition · Computer Science 2020-12-16 Guy Shiran , Daphna Weinshall

Merge trees are a valuable tool in the scientific visualization of scalar fields; however, current methods for merge tree comparisons are computationally expensive, primarily due to the exhaustive matching between tree nodes. To address…

Machine Learning · Computer Science 2024-10-07 Yu Qin , Brittany Terese Fasy , Carola Wenk , Brian Summa

Molecular Property Prediction (MPP) task involves predicting biochemical properties based on molecular features, such as molecular graph structures, contributing to the discovery of lead compounds in drug development. To address data…

Machine Learning · Computer Science 2023-12-07 Xu Yao , Shuang Liang , Songqiao Han , Hailiang Huang

In graph property testing the task is to distinguish whether a graph satisfies a given property or is "far" from having that property, preferably with a sublinear query and time complexity. In this work we initiate the study of property…

Data Structures and Algorithms · Computer Science 2021-02-16 Florian Adriaens , Simon Apers

Non-negative Matrix Factorization(NMF) algorithm can only be used to find low rank approximation of original non-negative data while Concept Factorization(CF) algorithm extends matrix factorization to single non-linear kernel space,…

Machine Learning · Computer Science 2024-10-29 Fei Li , Liang Du , Chaohong Ren

Computer vision plays a crucial role in Advanced Assistance Systems. Most computer vision systems are based on Deep Convolutional Neural Networks (deep CNN) architectures. However, the high computational resource to run a CNN algorithm is…

Computer Vision and Pattern Recognition · Computer Science 2021-10-19 Michel Vinagreiro Edson Kitani Armando Lagana Leopoldo Yoshioka

The multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty quantification in PDE models. It combines approximations at different levels of accuracy using a hierarchy of…

Numerical Analysis · Mathematics 2019-11-28 Santiago Badia , Jerrad Hampton , Javier Principe

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

Cryptography and Security · Computer Science 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani

Multi-view graph clustering (MGC) methods are increasingly being studied due to the explosion of multi-view data with graph structural information. The critical point of MGC is to better utilize view-specific and view-common information in…

Machine Learning · Computer Science 2024-12-24 Jianpeng Chen , Yawen Ling , Jie Xu , Yazhou Ren , Shudong Huang , Xiaorong Pu , Zhifeng Hao , Philip S. Yu , Lifang He

GPU computing is embracing weak memory concurrency for performance improvement. However, compared to CPUs, modern GPUs provide more fine-grained concurrency features such as scopes, have additional properties like divergence, and thereby…

Logic in Computer Science · Computer Science 2025-05-27 Soham Chakraborty , S. Krishna , Andreas Pavlogiannis , Omkar Tuppe

The task of data integration for multi-omics data has emerged as a powerful strategy to unravel the complex biological underpinnings of cancer. Recent advancements in graph neural networks (GNNs) offer an effective framework to model…

Machine Learning · Computer Science 2025-06-24 Payam Zohari , Mostafa Haghir Chehreghani