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Rigorous statistical methods, including parameter estimation with accompanying uncertainties, underpin the validity of scientific discovery, especially in the natural sciences. With increasingly complex data models such as deep learning…

Machine Learning · Computer Science 2026-02-18 Aurora Grefsrud , Nello Blaser , Trygve Buanes

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Modeling natural phenomena with artificial neural networks (ANNs) often provides highly accurate predictions. However, ANNs often suffer from over-parameterization, complicating interpretation and raising uncertainty issues. Bayesian neural…

Machine Learning · Statistics 2025-03-14 Eirik Høyheim , Lars Skaaret-Lund , Solve Sæbø , Aliaksandr Hubin

Machine Learning classification models learn the relation between input as features and output as a class in order to predict the class for the new given input. Quantum Mechanics (QM) has already shown its effectiveness in many fields and…

A new method is developed to represent probabilistic relations on multiple random events. Where previously knowledge bases containing probabilistic rules were used for this purpose, here a probability distribution over the relations is…

Artificial Intelligence · Computer Science 2013-02-08 Manfred Jaeger

The probabilistic predictions of quantum theory are conventionally obtained from a special probabilistic axiom. But that is unnecessary because all the practical consequences of such predictions follow from the remaining, non-probabilistic,…

Quantum Physics · Physics 2009-10-31 David Deutsch

When a hybrid Bayesian network has conditionally deterministic variables with continuous parents, the joint density function for the continuous variables does not exist. Conditional linear Gaussian distributions can handle such cases when…

Artificial Intelligence · Computer Science 2012-07-09 Barry Cobb , Prakash P. Shenoy

There is currently a renewed interest in the Bayesian predictive approach to statistics. This paper offers a review on foundational concepts and focuses on predictive modeling, which by directly reasoning on prediction, bypasses inferential…

Statistics Theory · Mathematics 2024-11-22 Sandra Fortini , Sonia Petrone

Quantized deep neural networks (QDNNs) are necessary for low-power, high throughput, and embedded applications. Previous studies mostly focused on developing optimization methods for the quantization of given models. However, quantization…

Machine Learning · Computer Science 2020-06-02 Yoonho Boo , Sungho Shin , Wonyong Sung

How to sample high quality negative instances from unlabeled data, i.e., negative sampling, is important for training implicit collaborative filtering and contrastive learning models. Although previous studies have proposed some approaches…

Information Retrieval · Computer Science 2022-07-12 Bin Liu , Bang Wang

In this paper we examine the problem of inference in Bayesian Networks with discrete random variables that have very large or even unbounded domains. For example, in a domain where we are trying to identify a person, we may have variables…

Artificial Intelligence · Computer Science 2012-12-12 Rita Sharma , David L Poole

Bayesian networks (BNs) are graphical \emph{first-order} probabilistic models that allow for a compact representation of large probability distributions, and for efficient inference, both exact and approximate. We introduce a…

Logic in Computer Science · Computer Science 2023-12-12 Claudia Faggian , Daniele Pautasso , Gabriele Vanoni

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

In quantum information technology, crucial information is regularly encoded in different quantum states. To extract information, the identification of one state from the others is inevitable. However, if the states are non-orthogonal and…

Quantum Physics · Physics 2023-04-17 Lu-Ji Wang , Jia-Yi Lin , Shengjun Wu

A Bayesian net (BN) is more than a succinct way to encode a probabilistic distribution; it also corresponds to a function used to answer queries. A BN can therefore be evaluated by the accuracy of the answers it returns. Many algorithms for…

Artificial Intelligence · Computer Science 2013-02-08 Russell Greiner , Adam J. Grove , Dale Schuurmans

Among the various forms of reasoning studied in the context of artificial intelligence, qualitative reasoning makes it possible to infer new knowledge in the context of imprecise, incomplete information without numerical values. In this…

Artificial Intelligence · Computer Science 2026-02-10 Quentin Cohen-Solal , Alexandre Niveau , Maroua Bouzid

Computing the exact likelihood of data in large Bayesian networks consisting of thousands of vertices is often a difficult task. When these models contain many deterministic conditional probability tables and when the observed values are…

Computation · Statistics 2012-06-26 Ydo Wexler , Dan Geiger

We introduce probability estimation, a broadly applicable framework to certify randomness in a finite sequence of measurement results without assuming that these results are independent and identically distributed. Probability estimation…

Quantum Physics · Physics 2018-11-30 Yanbao Zhang , Emanuel Knill , Peter Bierhorst

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

We develop a quantum version of the probability estimation framework [arXiv:1709.06159] for randomness generation with quantum side information. We show that most of the properties of probability estimation hold for quantum probability…

Quantum Physics · Physics 2023-02-06 Emanuel Knill , Yanbao Zhang , Honghao Fu