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With recent and rapid advancements in artificial intelligence (AI), understanding the foundation of purposeful behaviour in autonomous agents is crucial for developing safe and efficient systems. While artificial neural networks have…

Artificial Intelligence · Computer Science 2025-08-12 Aswin Paul , Moein Khajehnejad , Forough Habibollahi , Brett J. Kagan , Adeel Razi

Given a probability distribution $\mu$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of the corresponding conditional probability distributions on the level-sets of a collective variable…

Machine Learning · Statistics 2026-03-30 Fatima-Zahrae Akhyar , Wei Zhang , Gabriel Stoltz , Christof Schütte

The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models…

Probabilistic generative models can be used for compression, denoising, inpainting, texture synthesis, semi-supervised learning, unsupervised feature learning, and other tasks. Given this wide range of applications, it is not surprising…

Machine Learning · Statistics 2016-04-26 Lucas Theis , Aäron van den Oord , Matthias Bethge

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Learning interpretable representations of data generative latent factors is an important topic for the development of artificial intelligence. With the rise of the large multimodal model, it can align images with text to generate answers.…

Machine Learning · Computer Science 2024-04-19 Mengdan Zhu , Zhenke Liu , Bo Pan , Abhinav Angirekula , Liang Zhao

Generative models can be trained to emulate complex empirical data, but are they useful to make predictions in the context of previously unobserved environments? An intuitive idea to promote such extrapolation capabilities is to have the…

Machine Learning · Computer Science 2022-01-03 Michel Besserve , Rémy Sun , Dominik Janzing , Bernhard Schölkopf

It is tempting to think that machines are less prone to unfairness and prejudice. However, machine learning approaches compute their outputs based on data. While biases can enter at any stage of the development pipeline, models are…

Computer Vision and Pattern Recognition · Computer Science 2020-12-07 Patrick Esser , Robin Rombach , Björn Ommer

Simulation-based theory development has yielded powerful insights into collective performance by linking social structure to emergent outcomes, yet it has struggled to extend to collective creativity. Creativity is hard to capture purely at…

Social and Information Networks · Computer Science 2026-02-04 Mirza Nayeem Ahmed , Raiyan Abdul Baten

The emergence of generative AI models has dramatically expanded the availability and use of synthetic data across scientific, industrial, and policy domains. While these developments open new possibilities for data analysis, they also raise…

Machine Learning · Statistics 2026-03-06 Ahmad Abdel-Azim , Ruoyu Wang , Xihong Lin

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as…

Machine Learning · Computer Science 2025-02-14 Liang Wang , Chao Song , Zhiyuan Liu , Yu Rong , Qiang Liu , Shu Wu , Liang Wang

We introduce a new approach to functional causal modeling from observational data, called Causal Generative Neural Networks (CGNN). CGNN leverages the power of neural networks to learn a generative model of the joint distribution of the…

Generative modeling using samples drawn from the probability distribution constitutes a powerful approach for unsupervised machine learning. Quantum mechanical systems can produce probability distributions that exhibit quantum correlations…

Quantum Physics · Physics 2022-10-07 Xun Gao , Eric R. Anschuetz , Sheng-Tao Wang , J. Ignacio Cirac , Mikhail D. Lukin

Compartmental epidemic models have been widely used for predicting the course of epidemics, from estimating the basic reproduction number to guiding intervention policies. Studies commonly acknowledge these models' assumptions but less…

Populations and Evolution · Quantitative Biology 2022-11-23 Alexander F. Siegenfeld , Pratyush K. Kollepara , Yaneer Bar-Yam

A pervasive challenge in neuroscience is testing whether neuronal connectivity changes over time due to specific causes, such as stimuli, events, or clinical interventions. Recent hardware innovations and falling data storage costs enable…

Neurons and Cognition · Quantitative Biology 2024-01-05 Johan Medrano , Karl J. Friston , Peter Zeidman

Probabilistic graphical models combine the graph theory and probability theory to give a multivariate statistical modeling. They provide a unified description of uncertainty using probability and complexity using the graphical model.…

Machine Learning · Statistics 2011-11-30 Yang Zhou

Deep generative models produce data according to a learned representation, e.g. diffusion models, through a process of approximation computing possible samples. Approximation can be understood as reconstruction and the large datasets used…

Human-Computer Interaction · Computer Science 2023-09-25 Luís Arandas , Mick Grierson , Miguel Carvalhais

Generative modeling aims at producing new datapoints whose statistical properties resemble the ones in a training dataset. In recent years, there has been a burst of machine learning techniques and settings that can achieve this goal with…

Machine Learning · Computer Science 2025-03-05 Samantha J. Fournier , Pierfrancesco Urbani

Planning with generative models has emerged as an effective decision-making paradigm across a wide range of domains, including reinforcement learning and autonomous navigation. While continuous replanning at each timestep might seem…

Robotics · Computer Science 2024-08-06 Pascal Jutras-Dubé , Ruqi Zhang , Aniket Bera