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A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Machine Learning · Computer Science 2023-12-29 Ellis R. Crabtree , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

Consider learning a generative model for time-series data. The sequential setting poses a unique challenge: Not only should the generator capture the conditional dynamics of (stepwise) transitions, but its open-loop rollouts should also…

Machine Learning · Statistics 2023-11-03 Daniel Jarrett , Ioana Bica , Mihaela van der Schaar

A principled approach to understand network structures is to formulate generative models. Given a collection of models, however, an outstanding key task is to determine which one provides a more accurate description of the network at hand,…

Machine Learning · Statistics 2018-06-29 Toni Vallès-Català , Tiago P. Peixoto , Roger Guimerà , Marta Sales-Pardo

We typically observe large-scale outcomes that arise from the interactions of many hidden, small-scale processes. Examples include age of disease onset, rates of amino acid substitutions, and composition of ecological communities. The…

Quantitative Methods · Quantitative Biology 2009-07-19 Steven A. Frank

Generative models learn the distribution of data from a sample dataset and can then generate new data instances. Recent advances in deep learning has brought forth improvements in generative model architectures, and some state-of-the-art…

Cryptography and Security · Computer Science 2021-07-30 Luke A. Bauer , Vincent Bindschaedler

An open secret in contemporary machine learning is that many models work beautifully on standard benchmarks but fail to generalize outside the lab. This has been attributed to biased training data, which provide poor coverage over real…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Ali Jahanian , Lucy Chai , Phillip Isola

Deep generative models are challenging the classical methods in the field of anomaly detection nowadays. Every new method provides evidence of outperforming its predecessors, often with contradictory results. The objective of this…

Machine Learning · Computer Science 2021-06-09 Vít Škvára , Jan Franců , Matěj Zorek , Tomáš Pevný , Václav Šmídl

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

A fundamental task in developmental biology is to identify the mechanisms which drive morphogenesis. In many cases, pattern formation is driven by the positional information determined by both the gradient of maternal factors and hard-wired…

Molecular Networks · Quantitative Biology 2007-05-23 L. Diambra , Luciano da Fontoura Costa

In naturalistic learning problems, a model's input contains a wide range of features, some useful for the task at hand, and others not. Of the useful features, which ones does the model use? Of the task-irrelevant features, which ones does…

Machine Learning · Computer Science 2020-10-26 Katherine L. Hermann , Andrew K. Lampinen

The diffusion probabilistic generative models are widely used to generate high-quality data. Though they can synthetic data that does not exist in the training set, the rationale behind such generalization is still unexplored. In this…

Machine Learning · Computer Science 2023-05-25 Mingyang Yi , Jiacheng Sun , Zhenguo Li

Generative models have demonstrated remarkable abilities in generating high-fidelity visual content. In this work, we explore how generative models can further be used not only to synthesize visual content but also to understand the…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Yanbo Wang , Justin Dauwels , Yilun Du

Modeling and simulation are recognized as important aspects of the scientific method for more than 70 years but its adoption in biology has been slow. Debates on its representativeness, usefulness, and whether the effort spent on such…

Quantitative Methods · Quantitative Biology 2023-02-21 Maurice HT Ling

Statistical modeling is a powerful tool for developing and testing theories by way of causal explanation, prediction, and description. In many disciplines there is near-exclusive use of statistical modeling for causal explanation and the…

Methodology · Statistics 2011-01-06 Galit Shmueli

Generative models for source code are an interesting structured prediction problem, requiring to reason about both hard syntactic and semantic constraints as well as about natural, likely programs. We present a novel model for this problem…

Machine Learning · Computer Science 2019-04-18 Marc Brockschmidt , Miltiadis Allamanis , Alexander L. Gaunt , Oleksandr Polozov

Generative adversarial networks (GANs) provide an algorithmic framework for constructing generative models with several appealing properties: they do not require a likelihood function to be specified, only a generating procedure; they…

Machine Learning · Statistics 2017-02-28 Shakir Mohamed , Balaji Lakshminarayanan

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

Machine Learning · Computer Science 2019-12-05 John Bradshaw , Brooks Paige , Matt J. Kusner , Marwin H. S. Segler , José Miguel Hernández-Lobato

Modern generative models exhibit unprecedented capabilities to generate extremely realistic data. However, given the inherent compositionality of the real world, reliable use of these models in practical applications requires that they…

Machine Learning · Computer Science 2025-07-29 Maya Okawa , Ekdeep Singh Lubana , Robert P. Dick , Hidenori Tanaka

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