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A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Deterministic neural networks (NNs) are increasingly being deployed in safety critical domains, where calibrated, robust, and efficient measures of uncertainty are crucial. In this paper, we propose a novel method for training non-Bayesian…

Machine Learning · Computer Science 2020-11-25 Alexander Amini , Wilko Schwarting , Ava Soleimany , Daniela Rus

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

The area of graph property testing seeks to understand the relation between the global properties of a graph and its local statistics. In the classical model, the local statistics of a graph is defined relative to a uniform distribution…

Combinatorics · Mathematics 2021-09-29 Lior Gishboliner , Asaf Shapira

Although neural networks are routinely and successfully trained in practice using simple gradient-based methods, most existing theoretical results are negative, showing that learning such networks is difficult, in a worst-case sense over…

Machine Learning · Computer Science 2017-03-13 Ohad Shamir

Graph neural networks are often used to model interacting dynamical systems since they gracefully scale to systems with a varying and high number of agents. While there has been much progress made for deterministic interacting systems,…

Machine Learning · Computer Science 2023-05-04 Andreas Look , Melih Kandemir , Barbara Rakitsch , Jan Peters

We consider the approximation of functions by 2-layer neural networks with a small number of hidden weights based on the squared loss and small datasets. Due to the highly non-convex energy landscape, gradient-based training often suffers…

Machine Learning · Computer Science 2025-08-14 Johannes Hertrich , Sebastian Neumayer

Graph neural network models have been extensively used to learn node representations for graph structured data in an end-to-end setting. These models often rely on localized first order approximations of spectral graph convolutions and…

Machine Learning · Computer Science 2020-10-20 Mohammed Haroon Dupty , Wee Sun Lee

We propose a novel probabilistic dimensionality reduction framework that can naturally integrate the generative model and the locality information of data. Based on this framework, we present a new model, which is able to learn a smooth…

Machine Learning · Statistics 2016-10-18 Li Wang

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Uncertainty sampling, a popular active learning algorithm, is used to reduce the amount of data required to learn a classifier, but it has been observed in practice to converge to different parameters depending on the initialization and…

Machine Learning · Computer Science 2018-12-06 Stephen Mussmann , Percy Liang

Implicit sampling is a weighted sampling method that is used in data assimilation, where one sequentially updates estimates of the state of a stochastic model based on a stream of noisy or incomplete data. Here we describe how to use…

Numerical Analysis · Mathematics 2016-01-20 Matthias Morzfeld , Xuemin Tu , Jon Wilkening , Alexandre J. Chorin

Deep metric learning aims to learn an embedding space where the distance between data reflects their class equivalence, even when their classes are unseen during training. However, the limited number of classes available in training…

Computer Vision and Pattern Recognition · Computer Science 2022-01-05 Kyungmoon Lee , Sungyeon Kim , Seunghoon Hong , Suha Kwak

Although deep learning has demonstrated astonishing performance in many applications, there are still concerns about its dependability. One desirable property of deep learning applications with societal impact is fairness (i.e.,…

Machine Learning · Computer Science 2021-07-30 Peixin Zhang , Jingyi Wang , Jun Sun , Xinyu Wang , Guoliang Dong , Xingen Wang , Ting Dai , Jin Song Dong

Rank-based statistical metrics, such as the invariant statistical loss (ISL), have recently emerged as robust and practically effective tools for training implicit generative models. In this work, we introduce dual-ISL, a novel…

Machine Learning · Computer Science 2025-11-07 José Manuel de Frutos , Manuel A. Vázquez , Pablo M. Olmos , Joaquín Míguez

Undirected graphical models are compact representations of joint probability distributions over random variables. To solve inference tasks of interest, graphical models of arbitrary topology can be trained using empirical risk minimization.…

Machine Learning · Computer Science 2020-10-23 Adarsh K. Jeewajee , Leslie P. Kaelbling

Training energy-based probabilistic models is confronted with apparently intractable sums, whose Monte Carlo estimation requires sampling from the estimated probability distribution in the inner loop of training. This can be approximately…

Machine Learning · Computer Science 2016-06-13 Taesup Kim , Yoshua Bengio

Graph neural networks use relational information as an inductive bias to enhance prediction performance. Not rarely, task-relevant relations are unknown and graph structure learning approaches have been proposed to learn them from data.…

Machine Learning · Computer Science 2025-05-29 Alessandro Manenti , Daniele Zambon , Cesare Alippi

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…

Machine Learning · Computer Science 2022-04-26 Nan Wang , Lu Lin , Jundong Li , Hongning Wang