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We present completeness results for inference in Bayesian networks with respect to two different parameterizations, namely the number of variables and the topological vertex separation number. For this we introduce the parameterized…

Computational Complexity · Computer Science 2022-06-16 Hans Bodlaender , Nils Donselaar , Johan Kwisthout

Sampling complex free energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a direct approach useless. A popular strategy is to identify a…

Computational Physics · Physics 2019-09-25 Luigi Bonati , Yue-Yu Zhang , Michele Parrinello

Neural network pruning techniques reduce the number of parameters without compromising predicting ability of a network. Many algorithms have been developed for pruning both over-parameterized fully-connected networks (FCNs) and…

Machine Learning · Computer Science 2021-05-24 Xin Qian , Diego Klabjan

We demonstrate a meaningful prospective power analysis for an (admittedly idealized) illustrative connectome inference task. Modeling neurons as vertices and synapses as edges in a simple random graph model, we optimize the trade-off…

Neurons and Cognition · Quantitative Biology 2011-10-13 Carey E. Priebe , Joshua T. Vogelstein , Davi Bock

Many Bayesian network modelling applications suffer from the issue of data scarcity. Hence the use of expert judgement often becomes necessary to determine the parameters of the conditional probability tables (CPTs) throughout the network.…

Methodology · Statistics 2025-10-02 Kieran Drury , Martine J. Barons , Jim Q. Smith

For joint inference over multiple variables, a variety of structured prediction techniques have been developed to model correlations among variables and thereby improve predictions. However, many classical approaches suffer from one of two…

Machine Learning · Computer Science 2020-01-07 Colin Graber , Alexander Schwing

Despite the huge success of deep neural networks (NNs), finding good mechanisms for quantifying their prediction uncertainty is still an open problem. Bayesian neural networks are one of the most popular approaches to uncertainty…

Machine Learning · Statistics 2020-01-01 Agustinus Kristiadi , Sina Däubener , Asja Fischer

Modern convolutional neural networks (CNNs) are known to be overconfident in terms of their calibration on unseen input data. That is to say, they are more confident than they are accurate. This is undesirable if the probabilities predicted…

Machine Learning · Computer Science 2021-12-03 Guoxuan Xia , Sangwon Ha , Tiago Azevedo , Partha Maji

We examine the complexity of inference in Bayesian networks specified by logical languages. We consider representations that range from fragments of propositional logic to function-free first-order logic with equality; in doing so we cover…

Artificial Intelligence · Computer Science 2017-01-09 Fabio Gagliardi Cozman , Denis Deratani Mauá

Networks play a central role in modern data analysis, enabling us to reason about systems by studying the relationships between their parts. Most often in network analysis, the edges are given. However, in many systems it is difficult or…

Machine Learning · Statistics 2014-02-06 Scott W. Linderman , Ryan P. Adams

This study enhances a Deep Q-Network (DQN) trading model by incorporating advanced techniques like Prioritized Experience Replay, Regularized Q-Learning, Noisy Networks, Dueling, and Double DQN. Extensive tests on assets like BTC/USD and…

Computational Finance · Quantitative Finance 2023-11-21 Gang Hu

Quantum neural networks (QNNs) require an efficient training algorithm to achieve practical quantum advantages. A promising approach is gradient-based optimization, where gradients are estimated by quantum measurements. However, QNNs…

Quantum Physics · Physics 2025-05-21 Koki Chinzei , Shinichiro Yamano , Quoc Hoan Tran , Yasuhiro Endo , Hirotaka Oshima

Predicting missing links in real networks is an important problem in network science to which considerable efforts have been devoted, giving as a result a vast plethora of link prediction methods in the literature. In this work, we take a…

Physics and Society · Physics 2019-02-04 Guillermo García-Pérez , Roya Aliakbarisani , Abdorasoul Ghasemi , M. Ángeles Serrano

Existing methods for quantifying predictive uncertainty in neural networks are either computationally intractable for large language models or require access to training data that is typically unavailable. We derive a lightweight…

Machine Learning · Computer Science 2026-04-01 Nils Grünefeld , Jes Frellsen , Christian Hardmeier

Relational query optimisers rely on cost models to choose between different query execution plans. Selectivity estimates are known to be a crucial input to the cost model. In practice, standard selectivity estimation procedures are prone to…

Databases · Computer Science 2020-09-22 Max Halford , Philippe Saint-Pierre , Franck Morvan

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Feedforward neural networks (FNNs) are typically viewed as pure prediction algorithms, and their strong predictive performance has led to their use in many machine-learning applications. However, their flexibility comes with an…

Methodology · Statistics 2023-11-15 Andrew McInerney , Kevin Burke

Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over…

Machine Learning · Statistics 2020-12-08 Javier Antorán , James Urquhart Allingham , José Miguel Hernández-Lobato

Recent theoretical results in quantum machine learning have demonstrated a general trade-off between the expressive power of quantum neural networks (QNNs) and their trainability; as a corollary of these results, practical exponential…

Quantum Physics · Physics 2026-01-21 Eric R. Anschuetz , Xun Gao

Capsule networks, which incorporate the paradigms of connectionism and symbolism, have brought fresh insights into artificial intelligence. The capsule, as the building block of capsule networks, is a group of neurons represented by a…

Quantum Physics · Physics 2022-12-19 Zidu Liu , Pei-Xin Shen , Weikang Li , L. -M. Duan , Dong-Ling Deng
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