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Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Biological Physics · Physics 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

Biology stores information and computes at the molecular scale, yet the ways in which it does so are often distinct from human-engineered computers. Mapping biological computation onto architectures familiar to computer science remains an…

Biological Physics · Physics 2026-03-31 Jan Kocka , Kabir Husain , Jaime Agudo-Canalejo

Predictive coding has emerged as an influential normative model of neural computation, with numerous extensions and applications. As such, much effort has been put into mapping PC faithfully onto the cortex, but there are issues that remain…

Neurons and Cognition · Quantitative Biology 2023-03-07 Siavash Golkar , Tiberiu Tesileanu , Yanis Bahroun , Anirvan M. Sengupta , Dmitri B. Chklovskii

We propose a quantum representation of binary classification trees with binary features based on a probabilistic approach. By using the quantum computer as a processor for probability distributions, a probabilistic traversal of the decision…

Quantum Physics · Physics 2022-08-23 Raoul Heese , Patricia Bickert , Astrid Elisa Niederle

This study addresses the predictive limitation of probabilistic circuits and introduces transformations as a remedy to overcome it. We demonstrate this limitation in robotic scenarios. We motivate that independent component analysis is a…

Machine Learning · Statistics 2023-10-09 Tom Schierenbeck , Vladimir Vutov , Thorsten Dickhaus , Michael Beetz

Probabilistic Circuits (PCs) have emerged as an efficient framework for representing and learning complex probability distributions. Nevertheless, the existing body of research on PCs predominantly concentrates on data-driven parameter…

Machine Learning · Computer Science 2024-12-20 Athresh Karanam , Saurabh Mathur , Sahil Sidheekh , Sriraam Natarajan

Computing the probability of a formula given the probabilities or weights associated with other formulas is a natural extension of logical inference to the probabilistic setting. Surprisingly, this problem has received little attention in…

Artificial Intelligence · Computer Science 2012-03-19 Vibhav Gogate , Pedro Domingos

Representing token embeddings as probability distributions over learned manifolds allows for more flexible contextual inference, reducing representational rigidity while enhancing semantic granularity. Comparative evaluations demonstrate…

Computation and Language · Computer Science 2025-04-25 Christopher Nightingale , Dominic Lavington , Jonathan Thistlethwaite , Sebastian Penhaligon , Thomas Belinski , David Boldo

Can a micron sized sack of interacting molecules understand, and adapt to a constantly-fluctuating environment? Cellular life provides an existence proof in the affirmative, but the principles that allow for life's existence are far from…

Molecular Networks · Quantitative Biology 2022-05-16 William Poole , Thomas Ouldridge , Manoj Gopalkrishnan , Erik Winfree

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

Conditional restricted Boltzmann machines are undirected stochastic neural networks with a layer of input and output units connected bipartitely to a layer of hidden units. These networks define models of conditional probability…

Neural and Evolutionary Computing · Computer Science 2015-03-13 Guido Montufar , Nihat Ay , Keyan Ghazi-Zahedi

Probabilistic circuits (PCs) represent a probability distribution as a computational graph. Enforcing structural properties on these graphs guarantees that several inference scenarios become tractable. Among these properties, structured…

Machine Learning · Computer Science 2020-09-03 Meihua Dang , Antonio Vergari , Guy Van den Broeck

Models of complex systems are often formalized as sequential software simulators: computationally intensive programs that iteratively build up probable system configurations given parameters and initial conditions. These simulators enable…

Machine Learning · Statistics 2015-06-02 Ardavan Saeedi , Vlad Firoiu , Vikash Mansinghka

Causal inference can be formalized as Bayesian inference that combines a prior distribution over causal models and likelihoods that account for both observations and interventions. We show that it is possible to implement this approach…

Artificial Intelligence · Computer Science 2019-11-01 Sam Witty , Alexander Lew , David Jensen , Vikash Mansinghka

Inferring dynamical models from data continues to be a significant challenge in computational biology, especially given the stochastic nature of many biological processes. We explore a common scenario in omics, where statistically…

Machine Learning · Computer Science 2025-07-31 Suryanarayana Maddu , Victor Chardès , Michael. J. Shelley

We advocate here the use of computational logic for systems biology, as a \emph{unified and safe} framework well suited for both modeling the dynamic behaviour of biological systems, expressing properties of them, and verifying these…

Quantitative Methods · Quantitative Biology 2020-10-07 Elisabetta de Maria , Joelle Despeyroux , Amy Felty , Pietro Liò , Carlos Olarte , Abdorrahim Bahrami

Revealing the functional sites of biological sequences, such as evolutionary conserved, structurally interacting or co-evolving protein sites, is a fundamental, and yet challenging task. Different frameworks and models were developed to…

Quantitative Methods · Quantitative Biology 2019-06-07 Justas Dauparas , Haobo Wang , Avi Swartz , Peter Koo , Mor Nitzan , Sergey Ovchinnikov

A number of algorithms have been developed to solve probabilistic inference problems on belief networks. These algorithms can be divided into two main groups: exact techniques which exploit the conditional independence revealed when the…

Artificial Intelligence · Computer Science 2013-04-08 Ross D. Shachter , Mark Alan Peot

Probabilistic programming systems enable users to encode model structure and naturally reason about uncertainties, which can be leveraged towards improved Bayesian optimization (BO) methods. Here we present a probabilistic program embedding…

Artificial Intelligence · Computer Science 2019-02-06 Alexander Lavin

This paper introduces the probabilistic module interface, which allows encapsulation of complex probabilistic models with latent variables alongside custom stochastic approximate inference machinery, and provides a platform-agnostic…

Artificial Intelligence · Computer Science 2017-05-09 Marco F. Cusumano-Towner , Vikash K. Mansinghka