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Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

A popular end-to-end architecture for selective rationalization is the select-then-predict pipeline, comprising a generator to extract highlights fed to a predictor. Such a cooperative system suffers from suboptimal equilibrium minima due…

Machine Learning · Computer Science 2025-05-28 Federico Ruggeri , Gaetano Signorelli

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for…

Machine Learning · Computer Science 2025-05-20 Zander W. Blasingame , Chen Liu

We introduce a novel training principle for probabilistic models that is an alternative to maximum likelihood. The proposed Generative Stochastic Networks (GSN) framework is based on learning the transition operator of a Markov chain whose…

Machine Learning · Computer Science 2015-03-29 Guillaume Alain , Yoshua Bengio , Li Yao , Jason Yosinski , Eric Thibodeau-Laufer , Saizheng Zhang , Pascal Vincent

We consider scattered data approximation on product regions of equal and different dimensionality. On each of these regions, we assume quasi-uniform but unstructured data sites and construct optimal sparse grids for scattered data…

Numerical Analysis · Mathematics 2026-04-24 Michael Griebel , Helmut Harbrecht , Michael Multerer

Acquiring high-quality data for training discriminative models is a crucial yet challenging aspect of building effective predictive systems. In this paper, we present Diffusion Inversion, a simple yet effective method that leverages the…

Computer Vision and Pattern Recognition · Computer Science 2023-05-25 Yongchao Zhou , Hshmat Sahak , Jimmy Ba

Diffusion (score-based) generative models have been widely used for modeling various types of complex data, including images, audios, and point clouds. Recently, the deep connection between forward-backward stochastic differential equations…

Machine Learning · Computer Science 2022-06-22 Weitao Du , Tao Yang , He Zhang , Yuanqi Du

By building upon the recent theory that established the connection between implicit generative modeling (IGM) and optimal transport, in this study, we propose a novel parameter-free algorithm for learning the underlying distributions of…

Machine Learning · Statistics 2019-06-12 Antoine Liutkus , Umut Şimşekli , Szymon Majewski , Alain Durmus , Fabian-Robert Stöter

A graphical model is a structured representation of the data generating process. The traditional method to reason over random variables is to perform inference in this graphical model. However, in many cases the generating process is only a…

Machine Learning · Statistics 2019-10-31 Victor Garcia Satorras , Zeynep Akata , Max Welling

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Diffusion models play a pivotal role in contemporary generative modeling, claiming state-of-the-art performance across various domains. Despite their superior sample quality, mainstream diffusion-based stochastic samplers like DDPM often…

Machine Learning · Statistics 2024-10-08 Yuchen Wu , Yuxin Chen , Yuting Wei

Diffusion models have demonstrated impressive results in both data generation and downstream tasks such as inverse problems, text-based editing, classification, and more. However, training such models usually requires large amounts of clean…

Image and Video Processing · Electrical Eng. & Systems 2024-06-17 Bahjat Kawar , Noam Elata , Tomer Michaeli , Michael Elad

Generative modelling is a key tool in unsupervised machine learning which has achieved stellar success in recent years. Despite this huge success, even the best generative models such as Generative Adversarial Networks (GANs) and…

Machine Learning · Statistics 2021-01-15 Aratrika Mustafi

Heralded by the initial success in speech recognition and image classification, learning-based approaches with neural networks, commonly referred to as deep learning, have spread across various fields. A primitive form of a neural network…

Robotics · Computer Science 2024-09-02 Takuma Yoneda

Generative artificial intelligence revolutionized society. Current models are trained by minimizing the distance between the produced data and the training set. Consequently, development is plateauing as they are intrinsically data-hungry…

Machine Learning · Computer Science 2025-06-09 Mattia Miotto , Lorenzo Monacelli

A generative model based on a continuous-time normalizing flow between any pair of base and target probability densities is proposed. The velocity field of this flow is inferred from the probability current of a time-dependent density that…

Machine Learning · Computer Science 2023-03-10 Michael S. Albergo , Eric Vanden-Eijnden

Diffusion generative models have recently been applied to domains where the available data can be seen as a discretization of an underlying function, such as audio signals or time series. However, these models operate directly on the…

Machine Learning · Computer Science 2023-02-28 Gavin Kerrigan , Justin Ley , Padhraic Smyth

We provide an overview of the diffusion model as a method to generate new samples. Generative models have been recently adopted for tasks such as art generation (Stable Diffusion, Dall-E) and text generation (ChatGPT). Diffusion models in…

Machine Learning · Statistics 2025-06-13 Justin Le

Diffusion-based generative models employ stochastic differential equations (SDEs) and their equivalent probability flow ordinary differential equations (ODEs) to establish a smooth transformation between complex high-dimensional data…

Machine Learning · Computer Science 2025-12-12 Defang Chen , Zhenyu Zhou , Can Wang , Siwei Lyu

We develop a novel approach towards causal inference. Rather than structural equations over a causal graph, we learn stochastic differential equations (SDEs) whose stationary densities model a system's behavior under interventions. These…

Machine Learning · Computer Science 2024-03-19 Lars Lorch , Andreas Krause , Bernhard Schölkopf