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Probabilistic forecasting, i.e. estimating the probability distribution of a time series' future given its past, is a key enabler for optimizing business processes. In retail businesses, for example, forecasting demand is crucial for having…

Artificial Intelligence · Computer Science 2019-02-25 David Salinas , Valentin Flunkert , Jan Gasthaus

Accurate probabilistic predictions can be characterized by two properties -- calibration and sharpness. However, standard maximum likelihood training yields models that are poorly calibrated and thus inaccurate -- a 90% confidence interval…

Machine Learning · Computer Science 2025-05-14 Volodymyr Kuleshov , Shachi Deshpande

Predicting business process behaviour is an important aspect of business process management. Motivated by research in natural language processing, this paper describes an application of deep learning with recurrent neural networks to the…

Machine Learning · Computer Science 2017-05-05 Joerg Evermann , Jana-Rebecca Rehse , Peter Fettke

Topological deep learning is a formalism that is aimed at introducing topological language to deep learning for the purpose of utilizing the minimal mathematical structures to formalize problems that arise in a generic deep learning…

Machine Learning · Computer Science 2021-02-17 Mustafa Hajij , Kyle Istvan

Large multilayer neural networks trained with backpropagation have recently achieved state-of-the-art results in a wide range of problems. However, using backprop for neural net learning still has some disadvantages, e.g., having to tune a…

Machine Learning · Statistics 2015-07-16 José Miguel Hernández-Lobato , Ryan P. Adams

Two different approaches to dealing with probabilistic knowledge are examined -models and inductive inference. Examples of the first are: influence diagrams [1], Bayesian networks [2], log-linear models [3, 4]. Examples of the second are:…

Artificial Intelligence · Computer Science 2013-04-12 Norman C. Dalkey

Many important problems in the real world don't have unique solutions. It is thus important for machine learning models to be capable of proposing different plausible solutions with meaningful probability measures. In this work we introduce…

Machine Learning · Computer Science 2020-07-28 Di Qiu , Lok Ming Lui

Probabilistic regression models the entire predictive distribution of a response variable, offering richer insights than classical point estimates and directly allowing for uncertainty quantification. While diffusion-based generative models…

Machine Learning · Computer Science 2025-10-07 Carlo Kneissl , Christopher Bülte , Philipp Scholl , Gitta Kutyniok

Probabilistic Law Discovery (PLD) is a logic based Machine Learning method, which implements a variant of probabilistic rule learning. In several aspects, PLD is close to Decision Tree/Random Forest methods, but it differs significantly in…

Artificial Intelligence · Computer Science 2022-12-23 Alexander Demin , Denis Ponomaryov

We introduce a class of neural networks derived from probabilistic models in the form of Bayesian networks. By imposing additional assumptions about the nature of the probabilistic models represented in the networks, we derive neural…

Disordered Systems and Neural Networks · Physics 2010-04-30 Michael J. Barber , John W. Clark

We consider deep multivariate models for heterogeneous collections of random variables. In the context of computer vision, such collections may e.g. consist of images, segmentations, image attributes, and latent variables. When developing…

Machine Learning · Computer Science 2026-02-03 Dmitrij Schlesinger , Boris Flach , Alexander Shekhovtsov

Data poisoning attacks compromise the integrity of machine-learning models by introducing malicious training samples to influence the results during test time. In this work, we investigate backdoor data poisoning attack on deep neural…

Machine Learning · Computer Science 2019-12-04 Mahesh Subedar , Nilesh Ahuja , Ranganath Krishnan , Ibrahima J. Ndiour , Omesh Tickoo

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

Neural networks predictions are unreliable when the input sample is out of the training distribution or corrupted by noise. Being able to detect such failures automatically is fundamental to integrate deep learning algorithms into robotics.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Antonio Loquercio , Mattia Segù , Davide Scaramuzza

Deep neural networks are highly expressive models that have recently achieved state of the art performance on speech and visual recognition tasks. While their expressiveness is the reason they succeed, it also causes them to learn…

Computer Vision and Pattern Recognition · Computer Science 2014-02-20 Christian Szegedy , Wojciech Zaremba , Ilya Sutskever , Joan Bruna , Dumitru Erhan , Ian Goodfellow , Rob Fergus

Engineering design and scientific analysis rely upon computer simulations of turbulent fluid flows using turbulence models. These turbulence models are empirical and approximate, leading to large uncertainties in their predictions that…

Fluid Dynamics · Physics 2024-05-28 Minghan Chu , Weicheng Qian

Deep neural networks have proved to be a very effective way to perform classification tasks. They excel when the input data is high dimensional, the relationship between the input and the output is complicated, and the number of labeled…

Machine Learning · Computer Science 2017-11-28 Nicholas Frosst , Geoffrey Hinton

Deep learning tools have gained tremendous attention in applied machine learning. However such tools for regression and classification do not capture model uncertainty. In comparison, Bayesian models offer a mathematically grounded…

Machine Learning · Statistics 2016-10-05 Yarin Gal , Zoubin Ghahramani

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix