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Deep neural networks (DNNs) defy the classical bias-variance trade-off: adding parameters to a DNN that interpolates its training data will typically improve its generalization performance. Explaining the mechanism behind this ``benign…

Machine Learning · Statistics 2023-05-02 Diego Doimo , Aldo Glielmo , Sebastian Goldt , Alessandro Laio

Discovery of high-performance materials and molecules requires identifying extremes with property values that fall outside the known distribution. Therefore, the ability to extrapolate to out-of-distribution (OOD) property values is…

Machine Learning · Computer Science 2025-02-11 Nofit Segal , Aviv Netanyahu , Kevin P. Greenman , Pulkit Agrawal , Rafael Gomez-Bombarelli

In real-world material research, machine learning (ML) models are usually expected to predict and discover novel exceptional materials that deviate from the known materials. It is thus a pressing question to provide an objective evaluation…

Materials Science · Physics 2024-01-17 Sadman Sadeed Omee , Nihang Fu , Rongzhi Dong , Ming Hu , Jianjun Hu

The problem of detecting the Out-of-Distribution (OoD) inputs is of paramount importance for Deep Neural Networks. It has been previously shown that even Deep Generative Models that allow estimating the density of the inputs may not be…

Machine Learning · Statistics 2023-01-02 Misha Glazunov , Apostolis Zarras

Deep generative models trained by maximum likelihood remain very popular methods for reasoning about data probabilistically. However, it has been observed that they can assign higher likelihoods to out-of-distribution (OOD) data than…

Machine Learning · Statistics 2023-06-16 Anthony L. Caterini , Gabriel Loaiza-Ganem

Identifying unfamiliar inputs, also known as out-of-distribution (OOD) detection, is a crucial property of any decision making process. A simple and empirically validated technique is based on deep ensembles where the variance of…

Machine Learning · Computer Science 2022-10-19 Seijin Kobayashi , Pau Vilimelis Aceituno , Johannes von Oswald

We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while…

Machine Learning · Computer Science 2021-03-04 Keyulu Xu , Mozhi Zhang , Jingling Li , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Detecting deepfakes has become a critical challenge in Computer Vision and Artificial Intelligence. Despite significant progress in detection techniques, generalizing them to open-set scenarios continues to be a persistent difficulty.…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Luca Maiano , Fabrizio Casadei , Irene Amerini

We characterized the generalization capabilities of DNN-based encoding models when predicting neuronal responses from the visual cortex. We collected \textit{MacaqueITBench}, a large-scale dataset of neural population responses from the…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Spandan Madan , Will Xiao , Mingran Cao , Hanspeter Pfister , Margaret Livingstone , Gabriel Kreiman

A crucial requirement for machine learning algorithms is not only to perform well, but also to show robustness and adaptability when encountering novel scenarios. One way to achieve these characteristics is to endow the deep learning models…

Computer Vision and Pattern Recognition · Computer Science 2025-02-26 Eduardo Aguilar , Bogdan Raducanu , Petia Radeva

We derive exact upper and lower bounds for the cumulative distribution function (cdf) of the output of a neural network (NN) over its entire support subject to noisy (stochastic) inputs. The upper and lower bounds converge to the true cdf…

Machine Learning · Computer Science 2025-06-11 Andrey Kofnov , Daniel Kapla , Ezio Bartocci , Efstathia Bura

Neural networks are known to be a class of highly expressive functions able to fit even random input-output mappings with $100\%$ accuracy. In this work, we present properties of neural networks that complement this aspect of expressivity.…

Several areas have been improved with Deep Learning during the past years. For non-safety related products adoption of AI and ML is not an issue, whereas in safety critical applications, robustness of such approaches is still an issue. A…

We consider the problem of engineering robust direct perception neural networks with output being regression. Such networks take high dimensional input image data, and they produce affordances such as the curvature of the upcoming road…

Machine Learning · Computer Science 2019-10-01 Chih-Hong Cheng

Accurate estimation of aleatoric and epistemic uncertainty is crucial to build safe and reliable systems. Traditional approaches, such as dropout and ensemble methods, estimate uncertainty by sampling probability predictions from different…

Machine Learning · Computer Science 2020-10-23 Bertrand Charpentier , Daniel Zügner , Stephan Günnemann

Deep neural networks are highly expressive models that have recently achieved state of the art performance on speech and visual recognition tasks. While their expressiveness is the reason they succeed, it also causes them to learn…

Computer Vision and Pattern Recognition · Computer Science 2014-02-20 Christian Szegedy , Wojciech Zaremba , Ilya Sutskever , Joan Bruna , Dumitru Erhan , Ian Goodfellow , Rob Fergus

In recent years, deep neural network (DNN) compression systems have proved to be highly effective for designing source codes for many natural sources. However, like many other machine learning systems, these compressors suffer from…

Machine Learning · Computer Science 2021-10-15 Eric Lei , Hamed Hassani , Shirin Saeedi Bidokhti

Learning a task induces connectivity changes in neural circuits, thereby changing their dynamics. To elucidate task related neural dynamics we study trained Recurrent Neural Networks. We develop a Mean Field Theory for Reservoir Computing…

Neurons and Cognition · Quantitative Biology 2017-06-28 Alexander Rivkind , Omri Barak

We present three different methods to estimate error bars on the predictions made using a neural network. All of them represent lower bounds for the extrapolation errors. For example, we did not include an analysis on robustness against…

Nuclear Theory · Physics 2021-08-11 A. Pastore , M. Carnini

Out-of-distribution (OOD) detection is essential for reliably deploying machine learning models in the wild. Yet, most methods treat large pre-trained models as monolithic encoders and rely solely on their final-layer representations for…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 I. M. De la Jara , C. Rodriguez-Opazo , D. Teney , D. Ranasinghe , E. Abbasnejad