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Accurate quantification of uncertainty in neural network predictions remains a central challenge for scientific applications involving high-dimensional, correlated data. While existing methods capture either aleatoric or epistemic…

Machine Learning · Computer Science 2025-08-26 Harrison J. Goldwyn , Mitchell Krock , Johann Rudi , Daniel Getter , Julie Bessac

In this article a novel approach for training deep neural networks using Bayesian techniques is presented. The Bayesian methodology allows for an easy evaluation of model uncertainty and additionally is robust to overfitting. These are…

Machine Learning · Computer Science 2019-04-03 Konstantin Posch , Jürgen Pilz

We study which machine learning algorithms have tight generalization bounds. First, we present conditions that preclude the existence of tight generalization bounds. Specifically, we show that algorithms that have certain inductive biases…

Machine Learning · Computer Science 2024-10-04 Michael Gastpar , Ido Nachum , Jonathan Shafer , Thomas Weinberger

Graph convolutional networks (GCNs) have emerged as powerful models for graph learning tasks, exhibiting promising performance in various domains. While their empirical success is evident, there is a growing need to understand their…

Machine Learning · Computer Science 2025-09-30 Guangrui Yang , Ming Li , Han Feng , Xiaosheng Zhuang

Calibration error is commonly adopted for evaluating the quality of uncertainty estimators in deep neural networks. In this paper, we argue that such a metric is highly beneficial for training predictive models, even when we do not…

Machine Learning · Statistics 2019-11-01 Jayaraman J. Thiagarajan , Bindya Venkatesh , Deepta Rajan

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

Machine Learning · Computer Science 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli

Recent research has used margin theory to analyze the generalization performance for deep neural networks (DNNs). The existed results are almost based on the spectrally-normalized minimum margin. However, optimizing the minimum margin…

Machine Learning · Computer Science 2024-07-10 Shen-Huan Lyu , Lu Wang , Zhi-Hua Zhou

While deep learning has resulted in major breakthroughs in many application domains, the frameworks commonly used in deep learning remain fragile to artificially-crafted and imperceptible changes in the data. In response to this fragility,…

Machine Learning · Computer Science 2020-11-03 Alexander Robey , Hamed Hassani , George J. Pappas

Stability analysis is an essential aspect of studying the generalization ability of deep learning, as it involves deriving generalization bounds for stochastic gradient descent-based training algorithms. Adversarial training is the most…

Machine Learning · Computer Science 2024-01-09 Yihan Wang , Shuang Liu , Xiao-Shan Gao

Using established principles from Statistics and Information Theory, we show that invariance to nuisance factors in a deep neural network is equivalent to information minimality of the learned representation, and that stacking layers and…

Machine Learning · Computer Science 2018-06-29 Alessandro Achille , Stefano Soatto

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually…

Machine Learning · Computer Science 2021-03-30 Zhijie Deng , Yucen Luo , Jun Zhu , Bo Zhang

While neural models show remarkable accuracy on individual predictions, their internal beliefs can be inconsistent across examples. In this paper, we formalize such inconsistency as a generalization of prediction error. We propose a…

Artificial Intelligence · Computer Science 2019-09-16 Tao Li , Vivek Gupta , Maitrey Mehta , Vivek Srikumar

Deep learning tools have gained tremendous attention in applied machine learning. However such tools for regression and classification do not capture model uncertainty. In comparison, Bayesian models offer a mathematically grounded…

Machine Learning · Statistics 2016-10-05 Yarin Gal , Zoubin Ghahramani

Along with the rapid development of deep learning in practice, the theoretical explanations for its success become urgent. Generalization and expressivity are two widely used measurements to quantify theoretical behaviors of deep learning.…

Machine Learning · Computer Science 2018-03-26 Shao-Bo Lin

The ability of overparameterized deep networks to interpolate noisy data, while at the same time showing good generalization performance, has been recently characterized in terms of the double descent curve for the test error. Common…

Machine Learning · Computer Science 2023-04-11 Matteo Gamba , Erik Englesson , Mårten Björkman , Hossein Azizpour

Machine learning has made tremendous progress in recent years, with models matching or even surpassing humans on a series of specialized tasks. One key element behind the progress of machine learning in recent years has been the ability to…

Machine Learning · Computer Science 2020-06-30 Giorgi Nadiradze , Ilia Markov , Bapi Chatterjee , Vyacheslav Kungurtsev , Dan Alistarh

We present a computational method for empirically characterizing the training loss level-sets of deep neural networks. Our method numerically constructs a path in parameter space that is constrained to a set with a fixed near-zero training…

Machine Learning · Computer Science 2021-04-27 Naveed Tahir , Garrett E. Katz

As deep neural networks (DNNs) achieve tremendous success across many application domains, researchers tried to explore in many aspects on why they generalize well. In this paper, we provide a novel perspective on these issues using the…

Machine Learning · Computer Science 2020-02-25 Jinlong Liu , Guoqing Jiang , Yunzhi Bai , Ting Chen , Huayan Wang

Contrastive approaches to representation learning have recently shown great promise. In contrast to generative approaches, these contrastive models learn a deterministic encoder with no notion of uncertainty or confidence. In this paper, we…

Machine Learning · Computer Science 2020-10-06 Mike Wu , Noah Goodman

Increasingly high-stakes decisions are made using neural networks in order to make predictions. Specifically, meteorologists and hedge funds apply these techniques to time series data. When it comes to prediction, there are certain…

Machine Learning · Computer Science 2022-11-14 Levente Foldesi , Matias Valdenegro-Toro