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Deep learning hyper-parameter optimization is a tough task. Finding an appropriate network configuration is a key to success, however most of the times this labor is roughly done. In this work we introduce a novel library to tackle this…

Machine Learning · Computer Science 2018-07-11 Andrés Camero , Jamal Toutouh , Enrique Alba

Large Language Models (LLMs) often exhibit misalignment between the quality of their generated responses and the confidence estimates they assign to them. Bayesian treatments, such as marginalizing over a reliable weight posterior or over…

Data point selection (DPS) is becoming a critical topic in deep learning due to the ease of acquiring uncurated training data compared to the difficulty of obtaining curated or processed data. Existing approaches to DPS are predominantly…

Machine Learning · Computer Science 2024-11-07 Xinnuo Xu , Minyoung Kim , Royson Lee , Brais Martinez , Timothy Hospedales

We introduce a deterministic variational formulation for training Bayesian last layer neural networks. This yields a sampling-free, single-pass model and loss that effectively improves uncertainty estimation. Our variational Bayesian last…

Machine Learning · Computer Science 2024-04-18 James Harrison , John Willes , Jasper Snoek

We present JDLL, an agile Java library that offers a comprehensive toolset/API to unify the development of high-end applications of DL for bioimage analysis and to streamline their installation and maintenance. JDLL provides all the…

We introduce implicit Bayesian neural networks, a simple and scalable approach for uncertainty representation in deep learning. Standard Bayesian approach to deep learning requires the impractical inference of the posterior distribution…

Machine Learning · Statistics 2020-10-27 Trung Trinh , Samuel Kaski , Markus Heinonen

DORAEMON is an open-source PyTorch library that unifies visual object modeling and representation learning across diverse scales. A single YAML-driven workflow covers classification, retrieval and metric learning; more than 1000 pretrained…

Computer Vision and Pattern Recognition · Computer Science 2025-11-07 Ke Du , Yimin Peng , Chao Gao , Fan Zhou , Siqiao Xue

This paper describes a deep-SDM framework, MALPOLON. Written in Python and built upon the PyTorch library, this framework aims to facilitate training and inferences of deep species distribution models (deep-SDM) and sharing for users with…

Machine Learning · Computer Science 2024-09-27 Theo Larcher , Lukas Picek , Benjamin Deneu , Titouan Lorieul , Maximilien Servajean , Alexis Joly

In this work, we advocate for the importance of singular learning theory (SLT) as it pertains to the theory and practice of variational inference in Bayesian neural networks (BNNs). To begin, using SLT, we lay to rest some of the confusion…

Machine Learning · Statistics 2023-02-14 Susan Wei , Edmund Lau

Recent studies seek to provide Graph Neural Network (GNN) interpretability via multiple unsupervised learning models. Due to the scarcity of datasets, current methods easily suffer from learning bias. To solve this problem, we embed a Large…

Machine Learning · Computer Science 2024-07-24 Jiaxing Zhang , Jiayi Liu , Dongsheng Luo , Jennifer Neville , Hua Wei

We consider the problem of Bayesian parameter estimation for deep neural networks, which is important in problem settings where we may have little data, and/ or where we need accurate posterior predictive densities, e.g., for applications…

Machine Learning · Computer Science 2015-11-10 Anoop Korattikara , Vivek Rathod , Kevin Murphy , Max Welling

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…

Machine Learning · Computer Science 2021-07-16 Daniel T. Chang

Bayesian inference provides a methodology for parameter estimation and uncertainty quantification in machine learning and deep learning methods. Variational inference and Markov Chain Monte-Carlo (MCMC) sampling methods are used to…

Machine Learning · Statistics 2024-08-27 Rohitash Chandra , Joshua Simmons

In this paper, we rigorously derive Central Limit Theorems (CLT) for Bayesian two-layerneural networks in the infinite-width limit and trained by variational inference on a regression task. The different networks are trained via different…

Machine Learning · Statistics 2024-06-14 Arnaud Descours , Tom Huix , Arnaud Guillin , Manon Michel , Éric Moulines , Boris Nectoux

Bayesian Knowledge Tracing, a model used for cognitive mastery estimation, has been a hallmark of adaptive learning research and an integral component of deployed intelligent tutoring systems (ITS). In this paper, we provide a brief history…

Mathematical Software · Computer Science 2021-06-01 Anirudhan Badrinath , Frederic Wang , Zachary Pardos

Bayesian Last Layers (BLLs) provide a convenient and computationally efficient way to estimate uncertainty in neural networks. However, they underestimate epistemic uncertainty because they apply a Bayesian treatment only to the final…

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

Graph deep learning models, which incorporate a natural inductive bias for a collection of atoms, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library (MatGL), an open-source graph deep…

Concept Bottleneck Models (CBMs) have been proposed as a compromise between white-box and black-box models, aiming to achieve interpretability without sacrificing accuracy. The standard training procedure for CBMs is to predefine a…

Machine Learning · Computer Science 2025-12-05 Jean Feng , Avni Kothari , Luke Zier , Chandan Singh , Yan Shuo Tan

Deep Learning (DL) models are widely used in machine learning due to their performance and ability to deal with large datasets while producing high accuracy and performance metrics. The size of such datasets and the complexity of DL models…

Machine Learning · Computer Science 2022-02-28 Gongbo Liang , Izzat Alsmadi
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