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Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

Molecular Networks · Quantitative Biology 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

We propose methods to train convolutional neural networks (CNNs) with both binarized weights and activations, leading to quantized models that are specifically friendly to mobile devices with limited power capacity and computation…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Bohan Zhuang , Chunhua Shen , Mingkui Tan , Peng Chen , Lingqiao Liu , Ian Reid

Graph Neural Networks (GNNs) have been widely used to learn representations on graphs and tackle many real-world problems from a wide range of domains. In this paper we propose wsGAT, an extension of the Graph Attention Network (GAT)…

Social and Information Networks · Computer Science 2022-02-01 Marco Grassia , Giuseppe Mangioni

A graph $G=(V,E)$ with a vertex set $V$ and an edge set $E$ is called a pairwise compatibility graph (PCG, for short) if there are a tree $T$ whose leaf set is $V$, a non-negative edge weight $w$ in $T$, and two non-negative reals…

Data Structures and Algorithms · Computer Science 2020-07-23 Mingyu Xiao , Hiroshi Nagamochi

While convolutional neural networks (CNNs) have recently made great strides in supervised classification of data structured on a grid (e.g. images composed of pixel grids), in several interesting datasets, the relations between features can…

Machine Learning · Computer Science 2018-11-02 Shrey Gadiya , Deepak Anand , Amit Sethi

We introduce combinatorial interpretability, a methodology for understanding neural computation by analyzing the combinatorial structures in the sign-based categorization of a network's weights and biases. We demonstrate its power through…

Machine Learning · Computer Science 2025-05-07 Micah Adler , Dan Alistarh , Nir Shavit

We propose a graph-based extension of Boolean logic called Boolean Graph Logic (BGL). Construing formula trees as the cotrees of cographs, we may state semantic notions such as evaluation and entailment in purely graph-theoretic terms,…

Logic in Computer Science · Computer Science 2020-04-28 Cameron Calk , Anupam Das , Tim Waring

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds…

Machine Learning · Computer Science 2022-11-10 Bo Xiong , Shichao Zhu , Nico Potyka , Shirui Pan , Chuan Zhou , Steffen Staab

A graph $G$ is well-covered if all its maximal independent sets are of the same cardinality. Assume that a weight function $w$ is defined on its vertices. Then $G$ is $w$-well-covered if all maximal independent sets are of the same weight.…

Discrete Mathematics · Computer Science 2018-11-13 Vadim E. Levit , David Tankus

Network topology plays a key role in many phenomena, from the spreading of diseases to that of financial crises. Whenever the whole structure of a network is unknown, one must resort to reconstruction methods that identify the least biased…

Data Analysis, Statistics and Probability · Physics 2015-06-09 Rossana Mastrandrea , Tiziano Squartini , Giorgio Fagiolo , Diego Garlaschelli

Bayesian networks (BNs) are graphical \emph{first-order} probabilistic models that allow for a compact representation of large probability distributions, and for efficient inference, both exact and approximate. We introduce a…

Logic in Computer Science · Computer Science 2023-12-12 Claudia Faggian , Daniele Pautasso , Gabriele Vanoni

Graph neural networks (GNNs) have been regarded as the basic model to facilitate deep learning (DL) to revolutionize resource allocation in wireless networks. GNN-based models are shown to be able to learn the structural information about…

Signal Processing · Electrical Eng. & Systems 2024-09-06 Yang Lu , Yuhang Li , Ruichen Zhang , Wei Chen , Bo Ai , Dusit Niyato

Uncertainty quantification (UQ) over graphs arises in a number of safety-critical applications in network science. The Gaussian process (GP), as a classical Bayesian framework for UQ, has been developed to handle graph-structured data by…

Machine Learning · Computer Science 2025-10-08 Jinwen Xu , Qin Lu , Georgios B. Giannakis

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Machine Learning · Computer Science 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

Graph neural networks (GNNs) have emerged as a powerful tool for solving combinatorial optimization problems (COPs), exhibiting state-of-the-art performance in both graph-structured and non-graph-structured domains. However, existing…

Artificial Intelligence · Computer Science 2024-06-21 Yaochu Jin , Xueming Yan , Shiqing Liu , Xiangyu Wang

In traffic forecasting, graph convolutional networks (GCNs), which model traffic flows as spatio-temporal graphs, have achieved remarkable performance. However, existing GCN-based methods heuristically define the graph structure as the…

Machine Learning · Computer Science 2020-10-16 Jun Fu , Wei Zhou , Zhibo Chen

Complex network reconstruction is a hot topic in many fields. Currently, the most popular data-driven reconstruction framework is based on lasso. However, it is found that, in the presence of noise, lasso loses efficiency for weighted…

Machine Learning · Statistics 2020-03-03 Shuang Xu , Chun-Xia Zhang , Pei Wang , Jiangshe Zhang

In this paper, controllability of undirected networked systems with {diffusively coupled subsystems} is considered, where each subsystem is of {identically {\emph{fixed}}} general high-order single-input-multi-output dynamics. The…

Systems and Control · Electrical Eng. & Systems 2020-04-21 Yuan Zhang , Yuanqing Xia , Han Gao , Guangchen Zhang