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Due to its probabilistic nature, fault prognostics is a prime example of a use case for deep learning utilizing big data. However, the low availability of such data sets combined with the high effort of fitting, parameterizing and…

Machine Learning · Computer Science 2023-01-05 Benjamin Maschler

Data dispersed across multiple files are commonly integrated through probabilistic linkage methods, where even minimal error rates in record matching can significantly contaminate subsequent statistical analyses. In regression problems, we…

Statistics Theory · Mathematics 2024-09-18 Abhisek Chakraborty , Saptati Datta

Recent work has attempted to directly approximate the `function-space' or predictive posterior distribution of Bayesian models, without approximating the posterior distribution over the parameters. This is appealing in e.g. Bayesian neural…

Machine Learning · Statistics 2020-11-19 David R. Burt , Sebastian W. Ober , Adrià Garriga-Alonso , Mark van der Wilk

The characterization of drug-protein interactions is crucial in the high-throughput screening for drug discovery. The deep learning-based approaches have attracted attention because they can predict drug-protein interactions without…

Machine Learning · Computer Science 2020-12-22 QHwan Kim , Joon-Hyuk Ko , Sunghoon Kim , Nojun Park , Wonho Jhe

Structured sparsity has recently emerged in statistics, machine learning and signal processing as a promising paradigm for learning in high-dimensional settings. All existing methods for learning under the assumption of structured sparsity…

Machine Learning · Statistics 2015-09-16 Nino Shervashidze , Francis Bach

Chemical representations derived from deep learning are emerging as a powerful tool in areas such as drug discovery and materials innovation. Currently, this methodology has three major limitations - the cost of representation generation,…

Chemical Physics · Physics 2018-09-18 Clyde Fare , Lukas Turcani , Edward O. Pyzer-Knapp

Transfer learning where the behavior of extracting transferable knowledge from the source domain(s) and reusing this knowledge to target domain has become a research area of great interest in the field of artificial intelligence.…

Machine Learning · Computer Science 2021-09-29 Junyu Xuan , Jie Lu , Guangquan Zhang

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Updating $\textit{a priori}$ information given some observed data is the core tenet of Bayesian inference. Bayesian transfer learning extends this idea by incorporating information from a related dataset to improve the inference on the…

Rapid discovery and synthesis of new materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties;…

In industrial machine learning pipelines, data often arrive in parts. Particularly in the case of deep neural networks, it may be too expensive to train the model from scratch each time, so one would rather use a previously learned model…

Machine Learning · Statistics 2018-03-29 Max Kochurov , Timur Garipov , Dmitry Podoprikhin , Dmitry Molchanov , Arsenii Ashukha , Dmitry Vetrov

While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is still impractical for many applications. Towards…

Materials Science · Physics 2022-07-29 Rees Chang , Yu-Xiong Wang , Elif Ertekin

Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior…

Machine Learning · Statistics 2026-05-06 Nan Feng , Xun Huan

Predictive uncertainty quantification is crucial for reliable decision-making in various applied domains. Bayesian neural networks offer a powerful framework for this task. However, defining meaningful priors and ensuring computational…

Machine Learning · Computer Science 2024-04-30 Yijia Liu , Xiao Wang

This work takes a critical look at the application of conventional machine learning methods to wireless communication problems through the lens of reliability and robustness. Deep learning techniques adopt a frequentist framework, and are…

Machine Learning · Computer Science 2022-07-04 Matteo Zecchin , Sangwoo Park , Osvaldo Simeone , Marios Kountouris , David Gesbert

Deep neural network models have become the dominant approach to a large variety of tasks within music information retrieval (MIR). These models generally require large amounts of (annotated) training data to achieve high accuracy. Because…

Audio and Speech Processing · Electrical Eng. & Systems 2023-07-21 Changhong Wang , Gaël Richard , Brian McFee

Bayesian inference promises a framework for principled uncertainty quantification of neural network predictions. Barriers to adoption include the difficulty of fully characterizing posterior distributions on network parameters and the…

Machine Learning · Statistics 2025-01-22 Katharine Fisher , Youssef Marzouk

When related learning tasks are naturally arranged in a hierarchy, an appealing approach for coping with scarcity of instances is that of transfer learning using a hierarchical Bayes framework. As fully Bayesian computations can be…

Machine Learning · Computer Science 2012-06-18 Gal Elidan , Ben Packer , Geremy Heitz , Daphne Koller

Transfer learning (TL) has emerged as a powerful tool to supplement data collected for a target task with data collected for a related source task. The Bayesian framework is natural for TL because information from the source data can be…

Methodology · Statistics 2024-06-06 Mohamed A. Abba , Jonathan P. Williams , Brian J. Reich