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In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen…

Machine Learning · Statistics 2024-03-20 Luhuan Wu , Sinead Williamson

We report the application of implicit likelihood inference to the prediction of the macro-parameters of strong lensing systems with neural networks. This allows us to perform deep learning analysis of lensing systems within a well-defined…

Instrumentation and Methods for Astrophysics · Physics 2023-01-25 Ronan Legin , Yashar Hezaveh , Laurence Perreault-Levasseur , Benjamin Wandelt

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…

Machine Learning · Computer Science 2022-10-17 Hunter Nisonoff , Yixin Wang , Jennifer Listgarten

The fairness of a deep neural network is strongly affected by dataset bias and spurious correlations, both of which are usually present in modern feature-rich and complex visual datasets. Due to the difficulty and variability of the task,…

Computer Vision and Pattern Recognition · Computer Science 2024-02-28 Rebecca S Stone , Nishant Ravikumar , Andrew J Bulpitt , David C Hogg

Obtaining reliable uncertainty estimates of neural network predictions is a long standing challenge. Bayesian neural networks have been proposed as a solution, but it remains open how to specify their prior. In particular, the common…

Machine Learning · Statistics 2019-07-02 Danijar Hafner , Dustin Tran , Timothy Lillicrap , Alex Irpan , James Davidson

Recent work [ 14 ] has introduced a method for prior elicitation that utilizes records of expert decisions to infer a prior distribution. While this method provides a promising approach to eliciting expert uncertainty, it has only been…

Machine Learning · Computer Science 2025-01-22 Julia R. Falconer , Eibe Frank , Devon L. L. Polaschek , Chaitanya Joshi

In an attempt to better understand structural benefits and generalization power of deep neural networks, we firstly present a novel graph theoretical formulation of neural network models, including fully connected, residual network (ResNet)…

Machine Learning · Computer Science 2023-05-29 Yuqing Li , Tao Luo , Chao Ma

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

Uncertainty quantification is an important and challenging problem in deep learning. Previous methods rely on dropout layers which are not present in modern deep architectures or batch normalization which is sensitive to batch sizes. In…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

Ensembles of neural networks (NNs) have long been used to estimate predictive uncertainty; a small number of NNs are trained from different initialisations and sometimes on differing versions of the dataset. The variance of the ensemble's…

Machine Learning · Computer Science 2018-11-30 Tim Pearce , Mohamed Zaki , Andy Neely

Bayesian neural networks (BNN) and deep ensembles are principled approaches to estimate the predictive uncertainty of a deep learning model. However their practicality in real-time, industrial-scale applications are limited due to their…

Machine Learning · Computer Science 2020-10-27 Jeremiah Zhe Liu , Zi Lin , Shreyas Padhy , Dustin Tran , Tania Bedrax-Weiss , Balaji Lakshminarayanan

Symbolic regression is essential for deriving interpretable expressions that elucidate complex phenomena by exposing the underlying mathematical and physical relationships in data. In this paper, we present an advanced symbolic regression…

Machine Learning · Computer Science 2025-03-13 Sikai Huang , Yixin Berry Wen , Tara Adusumilli , Kusum Choudhary , Haizhao Yang

Feed-forward neural networks can be understood as a combination of an intermediate representation and a linear hypothesis. While most previous works aim to diversify the representations, we explore the complementary direction by performing…

Machine Learning · Computer Science 2019-10-24 Han Zhao , Yao-Hung Hubert Tsai , Ruslan Salakhutdinov , Geoffrey J. Gordon

Graph Neural Networks (GNNs) are powerful tools for learning on structured data, yet the relationship between their expressivity and predictive performance remains unclear. We introduce a family of premetrics that capture different degrees…

Machine Learning · Computer Science 2025-05-19 Sohir Maskey , Raffaele Paolino , Fabian Jogl , Gitta Kutyniok , Johannes F. Lutzeyer

We consider Bayesian inverse problems wherein the unknown state is assumed to be a function with discontinuous structure a priori. A class of prior distributions based on the output of neural networks with heavy-tailed weights is…

Machine Learning · Computer Science 2021-12-21 Chen Li , Matthew Dunlop , Georg Stadler

In this paper, we present generalization bounds for the unsupervised risk in the Deep Contrastive Representation Learning framework, which employs deep neural networks as representation functions. We approach this problem from two angles.…

Machine Learning · Statistics 2024-12-20 Nong Minh Hieu , Antoine Ledent , Yunwen Lei , Cheng Yeaw Ku

Deep ensembles can be considered as the current state-of-the-art for uncertainty quantification in deep learning. While the approach was originally proposed as a non-Bayesian technique, arguments supporting its Bayesian footing have been…

Machine Learning · Computer Science 2021-11-19 Lara Hoffmann , Clemens Elster

Neural Processes (NPs) are a popular class of approaches for meta-learning. Similar to Gaussian Processes (GPs), NPs define distributions over functions and can estimate uncertainty in their predictions. However, unlike GPs, NPs and their…

Machine Learning · Computer Science 2023-02-09 Tung Nguyen , Aditya Grover

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

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been…

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