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Hybrid quantum-classical machine learning offers a path to leverage noisy intermediate-scale quantum (NISQ) devices for drug discovery, but optimal model architectures remain unclear. We systematically optimize the quantum-classical bridge…

Machine Learning · Computer Science 2025-07-28 Andrew Smith , Erhan Guven

Understanding probabilistic dependencies among variables is central to analyzing complex systems. Traditional structure learning methods often require extensive observational data or are limited by manual, error-prone incorporation of…

Machine Learning · Computer Science 2026-02-24 Yinghuan Zhang , Yufei Zhang , Parisa Kordjamshidi , Zijun Cui

We introduce a principled approach for unsupervised structure learning of deep neural networks. We propose a new interpretation for depth and inter-layer connectivity where conditional independencies in the input distribution are encoded…

Machine Learning · Statistics 2018-10-18 Raanan Y. Rohekar , Shami Nisimov , Yaniv Gurwicz , Guy Koren , Gal Novik

Bayesian causal discovery offers the power to quantify epistemic uncertainties among a broad range of structurally diverse causal theories potentially explaining the data, represented in forms of directed acyclic graphs (DAGs). However,…

Machine Learning · Computer Science 2024-08-30 Nu Hoang , Bao Duong , Thin Nguyen

Many biological networks include cyclic structures. In such cases, Bayesian networks (BNs), which must be acyclic, are not sound models for structure learning. Dynamic BNs can be used but require relatively large time series data. We…

Methodology · Statistics 2020-02-18 Witold Wiecek , Frederic Y. Bois , Ghislaine Gayraud

Bayesian Networks (BNs) have become increasingly popular over the last few decades as a tool for reasoning under uncertainty in fields as diverse as medicine, biology, epidemiology, economics and the social sciences. This is especially true…

Machine Learning · Computer Science 2022-10-27 Neville K. Kitson , Anthony C. Constantinou , Zhigao Guo , Yang Liu , Kiattikun Chobtham

Our motivation stems from current medical research aiming at personalized treatment using a molecular-based approach. The broad goal is to develop a more precise and targeted decision making process, relative to traditional treatments based…

Methodology · Statistics 2022-01-27 Federico Castelletti , Guido Consonni

Bayesian networks (BNs) are a probabilistic graphical model widely used for representing expert knowledge and reasoning under uncertainty. Traditionally, they are based on directed acyclic graphs that capture dependencies between random…

Artificial Intelligence · Computer Science 2023-01-23 Christel Baier , Clemens Dubslaff , Holger Hermanns , Nikolai Käfer

We develop a novel convolutional architecture tailored for learning from data defined over directed acyclic graphs (DAGs). DAGs can be used to model causal relationships among variables, but their nilpotent adjacency matrices pose unique…

Machine Learning · Computer Science 2024-05-07 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

Pair-copula Bayesian networks (PCBNs) are a novel class of multivariate statistical models, which combine the distributional flexibility of pair-copula constructions (PCCs) with the parsimony of conditional independence models associated…

Methodology · Statistics 2012-11-27 Alexander Bauer , Claudia Czado

Leveraging the intrinsic probabilistic nature of quantum systems, generative quantum machine learning (QML) offers the potential to outperform classical learning models. Current generative QML algorithms mostly rely on general-purpose…

Quantum Physics · Physics 2025-05-06 Bence Bakó , Dániel T. R. Nagy , Péter Hága , Zsófia Kallus , Zoltán Zimborás

Without any assumptions about data generation, multiple causal models may explain our observations equally well. To avoid selecting a single arbitrary model that could result in unsafe decisions if it does not match reality, it is therefore…

Machine Learning · Computer Science 2025-01-13 Tristan Deleu

Integrative network modeling of data arising from multiple genomic platforms provides insight into the holistic picture of the interactive system, as well as the flow of information across many disease domains including cancer. The basic…

Methodology · Statistics 2020-02-18 Min Jin Ha , Francesco Stingo , Veerabhadran Baladandayuthapani

Identifying causal relations among multi-variate time series is one of the most important elements towards understanding the complex mechanisms underlying the dynamic system. It provides critical tools for forecasting, simulations and…

Machine Learning · Computer Science 2023-02-22 Yang Sun , Yifan Xie

Gene regulatory networks (GRNs) are increasingly used for explaining biological processes with complex transcriptional regulation. A GRN links the expression levels of a set of genes via regulatory controls that gene products exert on one…

Molecular Networks · Quantitative Biology 2016-06-21 Guy Karlebach

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

As a compact representation of joint probability distributions over a dependence graph of random variables, and a tool for modelling and reasoning in the presence of uncertainty, Bayesian networks are of great importance for artificial…

Quantum Physics · Physics 2020-10-06 Michael de Oliveira , Luis Soares Barbosa

Conventional methods for causal structure learning from data face significant challenges due to combinatorial search space. Recently, the problem has been formulated into a continuous optimization framework with an acyclicity constraint to…

Machine Learning · Computer Science 2022-06-06 Hristo Petkov , Colin Hanley , Feng Dong

Estimating the structure of Bayesian networks as directed acyclic graphs (DAGs) from observational data is a fundamental challenge, particularly in causal discovery. Bayesian approaches excel by quantifying uncertainty and addressing…

Machine Learning · Computer Science 2026-02-17 Edwin V. Bonilla , Pantelis Elinas , He Zhao , Maurizio Filippone , Vassili Kitsios , Terry O'Kane

Neural networks (NN) have achieved state-of-the-art performance in various applications. Unfortunately in applications where training data is insufficient, they are often prone to overfitting. One effective way to alleviate this problem is…

Machine Learning · Computer Science 2016-11-03 Hao Wang , Xingjian Shi , Dit-Yan Yeung