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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Deep neural networks have excelled on a wide range of problems, from vision to language and game playing. Neural networks very gradually incorporate information into weights as they process data, requiring very low learning rates. If the…

In most practical applications such as recommendation systems, display advertising, and so forth, the collected data often contains missing values and those missing values are generally missing-not-at-random, which deteriorates the…

Machine Learning · Computer Science 2024-05-27 Mingming Ha , Xuewen Tao , Wenfang Lin , Qionxu Ma , Wujiang Xu , Linxun Chen

An ideal synthetic population, a key input to activity-based models, mimics the distribution of the individual- and household-level attributes in the actual population. Since the entire population's attributes are generally unavailable,…

Machine Learning · Statistics 2022-08-03 Eui-Jin Kim , Prateek Bansal

What are the limits of controlling language models via synthetic training data? We develop a reinforcement learning (RL) primitive, the Dataset Policy Gradient (DPG), which can precisely optimize synthetic data generators to produce a…

Computation and Language · Computer Science 2026-04-10 Tristan Thrush , Sung Min Park , Herman Brunborg , Luke Bailey , Marcel Roed , Neil Band , Christopher Potts , Tatsunori Hashimoto

In most domains of network analysis researchers consider networks that arise in nature with weighted edges. Such networks are routinely dichotomized in the interest of using available methods for statistical inference with networks. The…

Methodology · Statistics 2016-11-10 James D. Wilson , Matthew J. Denny , Shankar Bhamidi , Skyler Cranmer , Bruce Desmarais

This paper presents a novel deep learning based data-driven optimization method. A novel generative adversarial network (GAN) based data-driven distributionally robust chance constrained programming framework is proposed. GAN is applied to…

Optimization and Control · Mathematics 2020-05-12 Shipu Zhao , Fengqi You

This paper introduces a unified theoretical perspective that views deep generative models as probability transformation functions. Despite the apparent differences in architecture and training methodologies among various types of generative…

Machine Learning · Computer Science 2025-06-23 Vitalii Bondar , Vira Babenko , Roman Trembovetskyi , Yurii Korobeinyk , Viktoriya Dzyuba

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Synthetic data can be used in various applications, such as correcting bias datasets or replacing scarce original data for simulation purposes. Generative Adversarial Networks (GANs) are considered state-of-the-art for developing generative…

Machine Learning · Computer Science 2022-03-08 Gael Lederrey , Tim Hillel , Michel Bierlaire

Neural architectures inspired by our own human cognitive system, such as the recently introduced world models, have been shown to outperform traditional deep reinforcement learning (RL) methods in a variety of different domains. Instead of…

Neural and Evolutionary Computing · Computer Science 2019-06-24 Sebastian Risi , Kenneth O. Stanley

Deep latent generative models have attracted increasing attention due to the capacity of combining the strengths of deep learning and probabilistic models in an elegant way. The data representations learned with the models are often…

Machine Learning · Computer Science 2023-04-04 Zhao Xu , Daniel Onoro Rubio , Giuseppe Serra , Mathias Niepert

Data scarcity remains a critical bottleneck impeding technological advancements across various domains, including but not limited to medicine and precision agriculture. To address this challenge, we explore the potential of Deep Generative…

Machine Learning · Computer Science 2025-04-16 Marco Salmè , Lorenzo Tronchin , Rosa Sicilia , Paolo Soda , Valerio Guarrasi

Deep Generative Models (DGMs) have rapidly advanced in recent years, becoming essential tools in various fields due to their ability to learn complex data distributions and generate synthetic data. Their importance in transportation…

Machine Learning · Computer Science 2026-01-28 Seongjin Choi , Zhixiong Jin , Seung Woo Ham , Jiwon Kim , Lijun Sun

We introduce marginalization models (MAMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling by explicitly modeling all induced marginal distributions.…

Machine Learning · Computer Science 2024-10-08 Sulin Liu , Peter J. Ramadge , Ryan P. Adams

Machine learning models are commonly trained end-to-end and in a supervised setting, using paired (input, output) data. Examples include recent super-resolution methods that train on pairs of (low-resolution, high-resolution) images.…

Computer Vision and Pattern Recognition · Computer Science 2021-12-10 Razvan V Marinescu , Daniel Moyer , Polina Golland

An approach to utilize recent advances in deep generative models for anomaly detection in a granular (continuous) sense on a real-world image dataset with quality issues is detailed using recent normalizing flow models, with implications in…

Machine Learning · Computer Science 2020-01-14 John Just

Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a…

Machine Learning · Computer Science 2020-06-26 Yufan Zhou , Changyou Chen , Jinhui Xu

Deep generative modeling has emerged as a powerful tool for synthesizing realistic medical images, driving advances in medical image analysis, disease diagnosis, and treatment planning. This chapter explores various deep generative models…

Image and Video Processing · Electrical Eng. & Systems 2024-10-24 Paul Friedrich , Yannik Frisch , Philippe C. Cattin

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Machine Learning · Computer Science 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis