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We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with…

Machine Learning · Statistics 2017-07-10 Matthew J. Johnson , David Duvenaud , Alexander B. Wiltschko , Sandeep R. Datta , Ryan P. Adams

Sampling algorithms, hypergraph degree sequences, and polytopes play a crucial role in statistical analysis of network data. This article offers a brief overview of open problems in this area of discrete mathematics from the point of view…

Discrete Mathematics · Computer Science 2016-01-11 Sonja Petrović

This paper provides a comprehensive and detailed derivation of the backpropagation algorithm for graph convolutional neural networks using matrix calculus. The derivation is extended to include arbitrary element-wise activation functions…

Machine Learning · Computer Science 2024-08-05 Yen-Che Hsiao , Rongting Yue , Abhishek Dutta

Model-free deep-reinforcement-based learning algorithms have been applied to a range of COPs~\cite{bello2016neural}~\cite{kool2018attention}~\cite{nazari2018reinforcement}. However, these approaches suffer from two key challenges when…

Machine Learning · Computer Science 2022-06-01 Nasrin Sultana , Jeffrey Chan , Tabinda Sarwar , A. K. Qin

Representation learning on graphs has been gaining attention due to its wide applicability in predicting missing links, and classifying and recommending nodes. Most embedding methods aim to preserve certain properties of the original graph…

Social and Information Networks · Computer Science 2019-09-13 Palash Goyal , Di Huang , Sujit Rokka Chhetri , Arquimedes Canedo , Jaya Shree , Evan Patterson

For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

Machine Learning · Computer Science 2021-02-18 Jianming Huang , Hiroyuki Kasai

This article aims to study the topological invariant properties encoded in node graph representational embeddings by utilizing tools available in persistent homology. Specifically, given a node embedding representation algorithm, we…

Machine Learning · Computer Science 2021-10-12 Mustafa Hajij , Ghada Zamzmi , Xuanting Cai

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

For an arbitrary tree we investigate the problems of constructing a maximum matching which minimizes or maximizes the cardinality of a maximum matching of the graph obtained from original one by its removal and present corresponding…

Discrete Mathematics · Computer Science 2007-07-17 R. R. Kamalian , V. V. Mkrtchyan

Finding patterns in graphs is a fundamental problem in databases and data mining. In many applications, graphs are temporal and evolve over time, so we are interested in finding durable patterns, such as triangles and paths, which persist…

Databases · Computer Science 2024-03-26 Pankaj K. Agarwal , Xiao Hu , Stavros Sintos , Jun Yang

We propose a combinatorial and graph-theoretic theory of dropout by modeling training as a random walk over a high-dimensional graph of binary subnetworks. Each node represents a masked version of the network, and dropout induces stochastic…

Machine Learning · Computer Science 2025-05-30 Sahil Rajesh Dhayalkar

Counterfactual examples have emerged as an effective approach to produce simple and understandable post-hoc explanations. In the context of graph classification, previous work has focused on generating counterfactual explanations by…

Machine Learning · Computer Science 2023-07-28 Carlo Abrate , Giulia Preti , Francesco Bonchi

We present a systematic comparison between neural network (NN) architectures for inference of AC-OPF solutions. Using fully connected NNs as a baseline we demonstrate the efficacy of leveraging network topology in the models by constructing…

Machine Learning · Computer Science 2020-12-02 Thomas Falconer , Letif Mones

We propose a Reinforcement Learning based approach to approximately solve the Tree Decomposition (TD) problem. TD is a combinatorial problem, which is central to the analysis of graph minor structure and computational complexity, as well as…

Machine Learning · Computer Science 2020-12-08 Taras Khakhulin , Roman Schutski , Ivan Oseledets

We address the efficiency issue for the construction of a deep graph neural network (GNN). The approach exploits the idea of representing each input graph as a fixed point of a dynamical system (implemented through a recurrent neural…

Machine Learning · Computer Science 2019-11-21 Claudio Gallicchio , Alessio Micheli

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for…

Machine Learning · Computer Science 2024-04-19 Emanuele La Malfa , Gabriele La Malfa , Giuseppe Nicosia , Vito Latora

Discovering a solution in a combinatorial space is prevalent in many real-world problems but it is also challenging due to diverse complex constraints and the vast number of possible combinations. To address such a problem, we introduce a…

Machine Learning · Computer Science 2021-11-01 Hyunsoo Chung , Jungtaek Kim , Boris Knyazev , Jinhwi Lee , Graham W. Taylor , Jaesik Park , Minsu Cho

Binary classification problems can be naturally modeled as bipartite graphs, where we attempt to classify right nodes based on their left adjacencies. We consider the case of labeled bipartite graphs in which some labels and edges are not…

Combinatorics · Mathematics 2018-11-13 R. W. R. Darling , Mark L. Velednitsky