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The need for function estimation in label-limited settings is common in the natural sciences. At the same time, prior knowledge of function values is often available in these domains. For example, data-free biophysics-based models can be…

机器学习 · 计算机科学 2022-10-17 Hunter Nisonoff , Yixin Wang , Jennifer Listgarten

Gaussian Processes (GPs) provide a convenient framework for specifying function-space priors, making them a natural choice for modeling uncertainty. In contrast, Bayesian Neural Networks (BNNs) offer greater scalability and extendability…

机器学习 · 计算机科学 2025-06-12 Marcin Sendera , Amin Sorkhei , Tomasz Kuśmierczyk

Bayesian deep learning approaches assume model parameters to be latent random variables and infer posterior distributions to quantify uncertainty, increase safety and trust, and prevent overconfident and unpredictable behavior. However,…

机器学习 · 计算机科学 2023-07-13 Jihao Andreas Lin , Joe Watson , Pascal Klink , Jan Peters

Bayesian neural networks (BNNs) have become a principal approach to alleviate overconfident predictions in deep learning, but they often suffer from scaling issues due to a large number of distribution parameters. In this paper, we discover…

机器学习 · 计算机科学 2021-12-14 Shiye Lei , Zhuozhuo Tu , Leszek Rutkowski , Feng Zhou , Li Shen , Fengxiang He , Dacheng Tao

In recent years, neural networks (NNs) have become increasingly popular for surrogate modeling tasks in mechanics and materials modeling applications. While traditional NNs are deterministic functions that rely solely on data to learn the…

机器学习 · 统计学 2025-01-03 Javad Ghorbanian , Nicholas Casaprima , Audrey Olivier

Bayesian neural networks provide a direct and natural way to extend standard deep neural networks to support probabilistic deep learning through the use of probabilistic layers that, traditionally, encode weight (and bias) uncertainty. In…

机器学习 · 计算机科学 2021-07-16 Daniel T. Chang

Bayesian neural networks (BNNs) have recently gained popularity due to their ability to quantify model uncertainty. However, specifying a prior for BNNs that captures relevant domain knowledge is often extremely challenging. In this work,…

机器学习 · 计算机科学 2024-02-22 Dylan Sam , Rattana Pukdee , Daniel P. Jeong , Yewon Byun , J. Zico Kolter

Bayesian neural networks (BNNs) combine the expressive power of deep learning with the advantages of Bayesian formalism. In recent years, the analysis of wide, deep BNNs has provided theoretical insight into their priors and posteriors.…

机器学习 · 计算机科学 2022-02-24 Beau Coker , Wessel P. Bruinsma , David R. Burt , Weiwei Pan , Finale Doshi-Velez

interpretable, and well understood models that are routinely employed even though, as is revealed through prior and posterior predictive checks, these can poorly characterise the spatial heterogeneity in the underlying process of interest.…

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs…

机器学习 · 计算机科学 2024-08-14 Samuel Müller , Noah Hollmann , Sebastian Pineda Arango , Josif Grabocka , Frank Hutter

Deep neural networks have revolutionized medical image analysis and disease diagnosis. Despite their impressive performance, it is difficult to generate well-calibrated probabilistic outputs for such networks, which makes them…

机器学习 · 计算机科学 2020-05-29 Pranav Poduval , Hrushikesh Loya , Amit Sethi

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a…

机器学习 · 统计学 2023-05-19 Thomas Nagler

We develop a new Bayesian framework based on deep neural networks to be able to extrapolate in space-time using historical data and to quantify uncertainties arising from both noisy and gappy data in physical problems. Specifically, the…

机器学习 · 计算机科学 2022-03-14 Xuhui Meng , Liu Yang , Zhiping Mao , Jose del Aguila Ferrandis , George Em Karniadakis

Training neural networks on randomly generated artificial datasets yields Bayesian models that capture the prior defined by the dataset-generating distribution. Prior-data Fitted Networks (PFNs) are a class of methods designed to leverage…

机器学习 · 计算机科学 2025-06-02 Samuel Müller , Arik Reuter , Noah Hollmann , David Rügamer , Frank Hutter

Neural network models are known to reinforce hidden data biases, making them unreliable and difficult to interpret. We seek to build models that `know what they do not know' by introducing inductive biases in the function space. We show…

机器学习 · 计算机科学 2021-12-21 Lassi Meronen , Martin Trapp , Arno Solin

Despite its long history, Bayesian neural networks (BNNs) and variational training remain underused in practice: standard Gaussian posteriors misalign with network geometry, KL terms can be brittle in high dimensions, and implementations…

机器学习 · 计算机科学 2025-09-09 Carlos Stein Brito

Laplace approximations are popular techniques for endowing deep networks with epistemic uncertainty estimates as they can be applied without altering the predictions of the trained network, and they scale to large models and datasets. While…

机器学习 · 计算机科学 2024-11-01 Tristan Cinquin , Marvin Pförtner , Vincent Fortuin , Philipp Hennig , Robert Bamler

Gradient-based neural network training traditionally enforces symmetry between forward and backward propagation, requiring activation functions to be differentiable (or sub-differentiable) and strictly monotonic in certain regions to…

神经与进化计算 · 计算机科学 2025-09-10 Luigi Troiano , Francesco Gissi , Vincenzo Benedetto , Genny Tortora

Bayesian Neural Networks (BNNs) have recently received increasing attention for their ability to provide well-calibrated posterior uncertainties. However, model selection---even choosing the number of nodes---remains an open question.…

机器学习 · 统计学 2018-08-01 Soumya Ghosh , Jiayu Yao , Finale Doshi-Velez

Bayesian neural networks (BNN) promise to combine the predictive performance of neural networks with principled uncertainty modeling important for safety-critical systems and decision making. However, posterior uncertainty estimates depend…

机器学习 · 计算机科学 2025-06-06 Tristan Cinquin , Robert Bamler
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