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Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks. So far, they have shown promising empirical results, e.g.,…

Machine Learning · Computer Science 2024-04-01 Luis Müller , Mikhail Galkin , Christopher Morris , Ladislav Rampášek

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in various graph structure related tasks such as node classification and graph classification. However, GNNs are vulnerable to adversarial attacks. Existing works…

Machine Learning · Computer Science 2021-09-28 Jiaming Mu , Binghui Wang , Qi Li , Kun Sun , Mingwei Xu , Zhuotao Liu

In practice symmetries of combinatorial structures are computed by transforming the structure into an annotated graph whose automorphisms correspond exactly to the desired symmetries. An automorphism solver is then employed to compute the…

Data Structures and Algorithms · Computer Science 2021-08-11 Markus Anders , Pascal Schweitzer

In this paper we present an algorithmic framework for solving a class of combinatorial optimization problems on graphs with bounded pathwidth. The problems are NP-hard in general, but solvable in linear time on this type of graphs. The…

Data Structures and Algorithms · Computer Science 2012-12-18 Mugurel Ionut Andreica

Graph matching can be formalized as a combinatorial optimization problem, where there are corresponding relationships between pairs of nodes that can be represented as edges. This problem becomes challenging when there are potential…

Computer Vision and Pattern Recognition · Computer Science 2023-01-06 Dongdong Chen , Yuxing Dai , Lichi Zhang , Zhihong Zhang

Deep learning on graph structures has shown exciting results in various applications. However, few attentions have been paid to the robustness of such models, in contrast to numerous research work for image or text adversarial attack and…

Machine Learning · Computer Science 2018-06-08 Hanjun Dai , Hui Li , Tian Tian , Xin Huang , Lin Wang , Jun Zhu , Le Song

There is a large class of problems in algebraic combinatorics which can be distilled into the same challenge: construct an explicit combinatorial bijection. Traditionally, researchers have solved challenges like these by visually inspecting…

Combinatorics · Mathematics 2025-11-18 Xiaoyu Huang , Blake Jackson , Kyu-Hwan Lee

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Subgraph matching is vital in knowledge graph (KG) question answering, molecule design, scene graph, code and circuit search, etc. Neural methods have shown promising results for subgraph matching. Our study of recent systems suggests…

Machine Learning · Computer Science 2025-10-28 Vaibhav Raj , Indradyumna Roy , Ashwin Ramachandran , Soumen Chakrabarti , Abir De

Graphs are a natural representation for systems based on relations between connected entities. Combinatorial optimization problems, which arise when considering an objective function related to a process of interest on discrete structures,…

Machine Learning · Computer Science 2024-08-21 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

Bridging logical and algorithmic reasoning with modern machine learning techniques is a fundamental challenge with potentially transformative impact. On the algorithmic side, many NP-hard problems can be expressed as integer programs, in…

Machine Learning · Computer Science 2024-12-16 Anselm Paulus , Michal Rolínek , Vít Musil , Brandon Amos , Georg Martius

Traffic state prediction is necessary for many Intelligent Transportation Systems applications. Recent developments of the topic have focused on network-wide, multi-step prediction, where state of the art performance is achieved via deep…

Machine Learning · Computer Science 2024-03-12 Bibek Poudel , Weizi Li

We demonstrate how by using a reinforcement learning algorithm, the deep cross-entropy method, one can find explicit constructions and counterexamples to several open conjectures in extremal combinatorics and graph theory. Amongst the…

Combinatorics · Mathematics 2021-04-30 Adam Zsolt Wagner

Deep neural networks have been applied to a wide range of problems across different application domains with great success. Recently, research into combinatorial optimization problems in particular has generated much interest in the machine…

Machine Learning · Computer Science 2021-08-05 Jason Van Hulse , Joshua S. Friedman

Applied research in graph algorithms and combinatorial structures needs comprehensive and versatile software libraries. However, the design and the implementation of flexible libraries are challenging activities. Among the other problems…

Software Engineering · Computer Science 2007-05-23 Maurizio Pizzonia , Giuseppe Di Battista

Subgraph matching is a fundamental building block for graph-based applications and is challenging due to its high-order combinatorial nature. Existing studies usually tackle it by combinatorial optimization or learning-based methods.…

Machine Learning · Computer Science 2023-06-13 Xuanzhou Liu , Lin Zhang , Jiaqi Sun , Yujiu Yang , Haiqin Yang

One of the most common problem-solving heuristics is by analogy. For a given problem, a solver can be viewed as a strategic walk on its fitness landscape. Thus if a solver works for one problem instance, we expect it will also be effective…

Machine Learning · Computer Science 2023-12-06 Mingyu Huang , Ke Li

Deep learning models on graphs have achieved remarkable performance in various graph analysis tasks, e.g., node classification, link prediction, and graph clustering. However, they expose uncertainty and unreliability against the…

Machine Learning · Computer Science 2022-04-06 Liang Chen , Jintang Li , Jiaying Peng , Tao Xie , Zengxu Cao , Kun Xu , Xiangnan He , Zibin Zheng , Bingzhe Wu

Integrated Gradients (IG) is a common explainability technique to address the black-box problem of neural networks. Integrated gradients assumes continuous data. Graphs are discrete structures making IG ill-suited to graphs. In this work,…

Machine Learning · Computer Science 2025-09-10 Lachlan Simpson , Kyle Millar , Adriel Cheng , Cheng-Chew Lim , Hong Gunn Chew

Partial graph matching extends traditional graph matching by allowing some nodes to remain unmatched, enabling applications in more complex scenarios. However, this flexibility introduces additional complexity, as both the subset of nodes…

Machine Learning · Computer Science 2026-02-26 Gathika Ratnayaka , James Nichols , Qing Wang