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Active learning, an iterative process of selecting the most informative data points for exploration, is crucial for efficient characterization of materials and chemicals property space. Neural networks excel at predicting these properties…

Disordered Systems and Neural Networks · Physics 2025-06-02 Sarah I. Allec , Maxim Ziatdinov

Deep learning and convolutional neural networks in particular are powerful and promising tools for cosmological analysis of large-scale structure surveys. They are already providing similar performance to classical analysis methods using…

Cosmology and Nongalactic Astrophysics · Physics 2026-05-06 Gaspard Aymerich , Tomasz Kacprzak , Alexandre Refregier

Datasets in engineering applications are often limited and contaminated, mainly due to unavoidable measurement noise and signal distortion. Thus, using conventional data-driven approaches to build a reliable discriminative model, and…

Machine Learning · Statistics 2020-04-14 Xihaier Luo , Ahsan Kareem

Stochastic variational inference is an established way to carry out approximate Bayesian inference for deep models. While there have been effective proposals for good initializations for loss minimization in deep learning, far less…

Machine Learning · Statistics 2019-01-28 Simone Rossi , Pietro Michiardi , Maurizio Filippone

Machine learning models perform well across domains such as diagnostics, weather forecasting, NLP, and autonomous driving, but their limited uncertainty handling restricts use in safety-critical settings. Traditional neural networks often…

Machine Learning · Computer Science 2025-12-01 Bernhard Klein , Falk Selker , Hendrik Borras , Sophie Steger , Franz Pernkopf , Holger Fröning

When a Convolutional Neural Network is used for on-the-fly evaluation of continuously updating time-sequences, many redundant convolution operations are performed. We propose the method of Deep Shifting, which remembers previously…

Machine Learning · Computer Science 2016-03-14 Koen Groenland , Sander Bohte

Dense pixelwise prediction such as semantic segmentation is an up-to-date challenge for deep convolutional neural networks (CNNs). Many state-of-the-art approaches either tackle the loss of high-resolution information due to pooling in the…

Computer Vision and Pattern Recognition · Computer Science 2018-08-07 Lingni Ma , Jörg Stückler , Tao Wu , Daniel Cremers

We propose Radial Bayesian Neural Networks (BNNs): a variational approximate posterior for BNNs which scales well to large models while maintaining a distribution over weight-space with full support. Other scalable Bayesian deep learning…

Machine Learning · Statistics 2021-06-01 Sebastian Farquhar , Michael Osborne , Yarin Gal

Early exiting is an effective paradigm for improving the inference efficiency of deep networks. By constructing classifiers with varying resource demands (the exits), such networks allow easy samples to be output at early exits, removing…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Yizeng Han , Yifan Pu , Zihang Lai , Chaofei Wang , Shiji Song , Junfen Cao , Wenhui Huang , Chao Deng , Gao Huang

In this work a novel, automated process for constructing and initializing deep feed-forward neural networks based on decision trees is presented. The proposed algorithm maps a collection of decision trees trained on the data into a…

Machine Learning · Computer Science 2018-07-04 K. D. Humbird , J. L. Peterson , R. G. McClarren

We study wide Bayesian neural networks focusing on the rare but statistically dominant fluctuations that govern posterior concentration, beyond Gaussian-process limits. Large-deviation theory provides explicit variational objectives-rate…

Machine Learning · Statistics 2026-02-27 Katerina Papagiannouli , Dario Trevisan , Giuseppe Pio Zitto

Deep Gaussian Processes learn probabilistic data representations for supervised learning by cascading multiple Gaussian Processes. While this model family promises flexible predictive distributions, exact inference is not tractable.…

Machine Learning · Statistics 2020-10-23 Jakob Lindinger , David Reeb , Christoph Lippert , Barbara Rakitsch

There is significant need for principled uncertainty reasoning in machine learning systems as they are increasingly deployed in safety-critical domains. A new approach with uncertainty-aware neural networks (NNs), based on learning…

Machine Learning · Computer Science 2022-02-25 Nis Meinert , Alexander Lavin

Deep learning has shown successful application in visual recognition and certain artificial intelligence tasks. Deep learning is also considered as a powerful tool with high flexibility to approximate functions. In the present work,…

Machine Learning · Computer Science 2021-12-23 Ayan Chakraborty , Thomas Wick , Xiaoying Zhuang , Timon Rabczuk

We extend the Deep Image Prior (DIP) framework to one-dimensional signals. DIP is using a randomly initialized convolutional neural network (CNN) to solve linear inverse problems by optimizing over weights to fit the observed measurements.…

Machine Learning · Computer Science 2019-04-19 Sriram Ravula , Alexandros G. Dimakis

Bayesian methods in machine learning, such as Gaussian processes, have great advantages com-pared to other techniques. In particular, they provide estimates of the uncertainty associated with a prediction. Extending the Bayesian approach to…

Quantum Physics · Physics 2019-05-20 Zhikuan Zhao , Alejandro Pozas-Kerstjens , Patrick Rebentrost , Peter Wittek

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

Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…

Neural and Evolutionary Computing · Computer Science 2019-03-12 Yanan Sun , Bing Xue , Mengjie Zhang , Gary G. Yen

While suitably scaled CNNs with Gaussian initialization are known to converge to Gaussian processes as the number of channels diverges, little is known beyond this Gaussian limit. We establish a large deviation principle (LDP) for…

Probability · Mathematics 2026-03-09 Federico Bassetti , Vassili De Palma , Lucia Ladelli

In this work, we introduce a novel probabilistic representation of deep learning, which provides an explicit explanation for the Deep Neural Networks (DNNs) in three aspects: (i) neurons define the energy of a Gibbs distribution; (ii) the…

Machine Learning · Computer Science 2019-08-27 Xinjie Lan , Kenneth E. Barner