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We explore the methodology and theory of reward-directed generation via conditional diffusion models. Directed generation aims to generate samples with desired properties as measured by a reward function, which has broad applications in…

Machine Learning · Computer Science 2023-07-17 Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Minshuo Chen , Mengdi Wang

Accurate prediction with multimodal data-encompassing tabular, textual, and visual inputs or outputs-is fundamental to advancing analytics in diverse application domains. Traditional approaches often struggle to integrate heterogeneous data…

Machine Learning · Statistics 2025-03-11 Xinyu Tian , Xiaotong Shen

Urban wind flow modeling and simulation play an important role in air quality assessment and sustainable city planning. A key challenge for modeling and simulation is handling the complex geometries of the urban landscape. Low order models…

Machine Learning · Computer Science 2025-12-18 Francisco Giral , Álvaro Manzano , Ignacio Gómez , Petros Koumoutsakos , Soledad Le Clainche

In this manuscript, we study the problem of scalar-on-distribution regression; that is, instances where subject-specific distributions or densities, or in practice, repeated measures from those distributions, are the covariates related to a…

Methodology · Statistics 2024-04-22 Bohao Tang , Sandipan Pramanik , Yi Zhao , Brian Caffo , Abhirup Datta

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases…

Machine Learning · Computer Science 2025-06-27 Vineet Jain , Kusha Sareen , Mohammad Pedramfar , Siamak Ravanbakhsh

Efficient planning in high-dimensional spaces, such as those involving deformable objects, requires computationally tractable yet sufficiently expressive dynamics models. This paper introduces a method that automatically generates…

Robotics · Computer Science 2025-08-27 Alex LaGrassa , Zixuan Huang , Dmitry Berenson , Oliver Kroemer

Inferring predictive maps between multiple input and multiple output variables or tasks has innumerable applications in data science. Multi-task learning attempts to learn the maps to several output tasks simultaneously with information…

Machine Learning · Statistics 2017-10-06 Ming Yu , Addie M. Thompson , Karthikeyan Natesan Ramamurthy , Eunho Yang , Aurélie C. Lozano

We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…

Machine Learning · Computer Science 2025-04-07 Luis Barba , Johannes Kirschner , Tomas Aidukas , Manuel Guizar-Sicairos , Benjamín Béjar

Building predictive models for tabular data presents fundamental challenges, notably in scaling consistently, i.e., more resources translating to better performance, and generalizing systematically beyond the training data distribution.…

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

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Based on the tensor tree network with the Born machine framework, we propose a general method for constructing a generative model by expressing the target distribution function as the amplitude of the quantum wave function represented by a…

Machine Learning · Computer Science 2025-04-04 Kenji Harada , Tsuyoshi Okubo , Naoki Kawashima

Decision trees are a popular family of models due to their attractive properties such as interpretability and ability to handle heterogeneous data. Concurrently, missing data is a prevalent occurrence that hinders performance of machine…

Machine Learning · Computer Science 2020-07-01 Pasha Khosravi , Antonio Vergari , YooJung Choi , Yitao Liang , Guy Van den Broeck

Data synthesis is gaining momentum as a privacy-enhancing technology. While single-table tabular data generation has seen considerable progress, current methods for multi-table data often lack the flexibility and expressiveness needed to…

Machine Learning · Computer Science 2025-11-11 Davide Scassola , Sebastiano Saccani , Luca Bortolussi

In this manuscript, we consider the problem of learning a flow or diffusion-based generative model parametrized by a two-layer auto-encoder, trained with online stochastic gradient descent, on a high-dimensional target density with an…

Machine Learning · Computer Science 2025-11-11 Hugo Cui , Cengiz Pehlevan , Yue M. Lu

Two fundamental problems in unsupervised learning are efficient inference for latent-variable models and robust density estimation based on large amounts of unlabeled data. Algorithms for the two tasks, such as normalizing flows and…

Machine Learning · Statistics 2018-08-02 Changyou Chen , Chunyuan Li , Liqun Chen , Wenlin Wang , Yunchen Pu , Lawrence Carin

Generative models have gained popularity for their potential applications in imaging science, such as image reconstruction, posterior sampling and data sharing. Flow-based generative models are particularly attractive due to their ability…

Machine Learning · Computer Science 2023-12-14 Varun A. Kelkar , Rucha Deshpande , Arindam Banerjee , Mark A. Anastasio

We introduce Flux Matching, a new paradigm for generative modeling that generalizes existing score-based models to a broader family of vector fields that need not be conservative. Rather than requiring the model to equal the data score, the…

Machine Learning · Computer Science 2026-05-11 Peter Pao-Huang , Xiaojie Qiu , Stefano Ermon

The perspective of developing trustworthy AI for critical applications in science and engineering requires machine learning techniques that are capable of estimating their own uncertainty. In the context of regression, instead of estimating…

Machine Learning · Computer Science 2026-05-14 Quentin Duchemin , Guillaume Obozinski

Flow-based generative models are composed of invertible transformations between two random variables of the same dimension. Therefore, flow-based models cannot be adequately trained if the dimension of the data distribution does not match…

Computer Vision and Pattern Recognition · Computer Science 2020-11-17 Hyeongju Kim , Hyeonseung Lee , Woo Hyun Kang , Joun Yeop Lee , Nam Soo Kim
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