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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

Although recent model-free reinforcement learning algorithms have been shown to be capable of mastering complicated decision-making tasks, the sample complexity of these methods has remained a hurdle to utilizing them in many real-world…

Machine Learning · Computer Science 2020-04-21 Saeed Moazami , Peggy Doerschuk

In this paper, we study deep generative models for effective unsupervised learning. We propose VGAN, which works by minimizing a variational lower bound of the negative log likelihood (NLL) of an energy based model (EBM), where the model…

Machine Learning · Computer Science 2016-11-08 Shuangfei Zhai , Yu Cheng , Rogerio Feris , Zhongfei Zhang

Compared to humans, machine learning models generally require significantly more training examples and fail to extrapolate from experience to solve previously unseen challenges. To help close this performance gap, we augment single-task…

Machine Learning · Computer Science 2018-07-27 Tailin Wu , John Peurifoy , Isaac L. Chuang , Max Tegmark

Accelerating large language model pre-training is a critical issue in present research. In this paper, we focus on speeding up pre-training by progressively growing from a small Transformer structure to a large one. There are two main…

Computation and Language · Computer Science 2024-04-09 Yiqun Yao , Zheng Zhang , Jing Li , Yequan Wang

Generative models have gained significant traction in offline reinforcement learning (RL) due to their ability to model complex trajectory distributions. However, existing generation-based approaches still struggle with long-horizon tasks…

Machine Learning · Computer Science 2026-03-02 Chenxing Lin , Xinhui Gao , Haipeng Zhang , Xinran Li , Haitao Wang , Songzhu Mei , Chenglu Wen , Weiquan Liu , Siqi Shen , Cheng Wang

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

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

The problem of model collapse has presented new challenges in iterative training of generative models, where such training with synthetic data leads to an overall degradation of performance. This paper looks at the problem from a…

Machine Learning · Statistics 2026-02-19 Soham Bakshi , Sunrit Chakraborty

Training sophisticated agents for optimal decision-making under uncertainty has been key to the rapid development of modern autonomous systems across fields. Notably, model-free reinforcement learning (RL) has enabled decision-making agents…

Machine Learning · Computer Science 2025-07-21 Thomas Banker , Ali Mesbah

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

In recent years, diffusion models have gained popularity for their ability to generate higher-quality images in comparison to GAN models. However, like any other large generative models, these models require a huge amount of data,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Rajesh Shrestha , Bowen Xie

This paper considers generalized linear models using rule-based features, also referred to as rule ensembles, for regression and probabilistic classification. Rules facilitate model interpretation while also capturing nonlinear dependences…

Machine Learning · Computer Science 2019-06-06 Dennis Wei , Sanjeeb Dash , Tian Gao , Oktay Günlük

Training deep networks and tuning hyperparameters on large datasets is computationally intensive. One of the primary research directions for efficient training is to reduce training costs by selecting well-generalizable subsets of training…

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive…

Machine Learning · Statistics 2021-01-18 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

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

Learning robust manipulation policies typically requires large and diverse datasets, the collection of which is time-consuming, labor-intensive, and often impractical for dynamic environments. In this work, we introduce DynaMimicGen (D-MG),…

We propose an algorithm for meta-learning that is model-agnostic, in the sense that it is compatible with any model trained with gradient descent and applicable to a variety of different learning problems, including classification,…

Machine Learning · Computer Science 2017-07-19 Chelsea Finn , Pieter Abbeel , Sergey Levine

This paper presents a novel collaborative generative modeling (CGM) framework that incentivizes collaboration among self-interested parties to contribute data to a pool for training a generative model (e.g., GAN), from which synthetic data…

Machine Learning · Computer Science 2021-12-20 Sebastian Shenghong Tay , Xinyi Xu , Chuan Sheng Foo , Bryan Kian Hsiang Low

Deep neural networks often have millions of parameters. This can hinder their deployment to low-end devices, not only due to high memory requirements but also because of increased latency at inference. We propose a novel model compression…

Machine Learning · Computer Science 2020-06-15 Tao Lin , Sebastian U. Stich , Luis Barba , Daniil Dmitriev , Martin Jaggi
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