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Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

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

Robot motion planning involves computing a sequence of valid robot configurations that take the robot from its initial state to a goal state. Solving a motion planning problem optimally using analytical methods is proven to be PSPACE-Hard.…

Robotics · Computer Science 2021-07-26 Naman Shah , Abhyudaya Srinet , Siddharth Srivastava

For planning of power systems and for the calibration of operational tools, it is essential to analyse system performance in a large range of representative scenarios. When the available historical data is limited, generative models are a…

Systems and Control · Electrical Eng. & Systems 2022-12-16 Chenguang Wang , Ensieh Sharifnia , Zhi Gao , Simon H. Tindemans , Peter Palensky

Recently, generative machine-learning models have gained popularity in physics, driven by the goal of improving the efficiency of Markov chain Monte Carlo techniques and of exploring their potential in capturing experimental data…

Statistical Mechanics · Physics 2021-09-03 Japneet Singh , Vipul Arora , Vinay Gupta , Mathias S. Scheurer

Graph convolution network (GCN) attracts intensive research interest with broad applications. While existing work mainly focused on designing novel GCN architectures for better performance, few of them studied a practical yet challenging…

Machine Learning · Computer Science 2020-10-16 Xiaoming Liu , Qirui Li , Chao Shen , Xi Peng , Yadong Zhou , Xiaohong Guan

We propose a new generative model for layout generation. We generate layouts in three steps. First, we generate the layout elements as nodes in a layout graph. Second, we compute constraints between layout elements as edges in the layout…

Computer Vision and Pattern Recognition · Computer Science 2020-11-30 Wamiq Para , Paul Guerrero , Tom Kelly , Leonidas Guibas , Peter Wonka

Generative models have enjoyed widespread success in a variety of applications. However, they encounter inherent mathematical limitations in modeling distributions where samples are constrained by equalities, as is frequently the setting in…

Machine Learning · Computer Science 2026-02-02 Katherine Keegan , Lars Ruthotto

In robotics, it is essential to be able to plan efficiently in high-dimensional continuous state-action spaces for long horizons. For such complex planning problems, unguided uniform sampling of actions until a path to a goal is found is…

Artificial Intelligence · Computer Science 2017-11-08 Beomjoon Kim , Leslie Pack Kaelbling , Tomas Lozano-Perez

While deep generative models~(DGMs) have demonstrated remarkable success in capturing complex data distributions, they consistently fail to learn constraints that encode domain knowledge and thus require constraint integration. Existing…

Machine Learning · Computer Science 2025-02-13 Ruoyan Li , Dipti Ranjan Sahu , Guy Van den Broeck , Zhe Zeng

We present a novel framework for conditional sampling of probability measures, using block triangular transport maps. We develop the theoretical foundations of block triangular transport in a Banach space setting, establishing general…

Machine Learning · Statistics 2023-06-07 Ricardo Baptista , Bamdad Hosseini , Nikola B. Kovachki , Youssef Marzouk

We propose a sampling-based trajectory optimization methodology for constrained problems. We extend recent works on stochastic search to deal with box control constraints,as well as nonlinear state constraints for discrete dynamical…

Optimization and Control · Mathematics 2019-11-13 George I. Boutselis , Ziyi Wang , Evangelos A. Theodorou

Real-world applications of computational fluid dynamics often involve the evaluation of quantities of interest for several distinct geometries that define the computational domain or are embedded inside it. For example, design optimization…

Numerical Analysis · Mathematics 2023-08-08 Guglielmo Padula , Francesco Romor , Giovanni Stabile , Gianluigi Rozza

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative…

Machine Learning · Computer Science 2024-11-05 Jacob K Christopher , Stephen Baek , Ferdinando Fioretto

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Subeen Lee , Jiyeon Han , Soyeon Kim , Jaesik Choi

Many machine learning applications require outputs that satisfy complex, dynamic constraints. This task is particularly challenging in Graph Neural Network models due to the variable output sizes of graph-structured data. In this paper, we…

Machine Learning · Computer Science 2025-10-14 Ahmed Rashwan , Keith Briggs , Chris Budd , Lisa Kreusser

In this paper we describe a novel framework for diffusion-based generative modeling on constrained spaces. In particular, we introduce manual bridges, a framework that expands the kinds of constraints that can be practically used to form…

Machine Learning · Computer Science 2025-02-28 Saeid Naderiparizi , Xiaoxuan Liang , Berend Zwartsenberg , Frank Wood

Machine learning models are widely used for real-world applications, such as document analysis and vision. Constrained machine learning problems are problems where learned models have to both be accurate and respect constraints. For…

Machine Learning · Computer Science 2021-12-03 Guillaume Perez , Sebastian Ament , Carla Gomes , Arnaud Lallouet

Sampling-based motion planning is a well-established approach in autonomous driving, valued for its modularity and analytical tractability. In complex urban scenarios, however, uniform or heuristic sampling often produces many infeasible or…

Robotics · Computer Science 2026-03-24 Korbinian Moller , Roland Stroop , Mattia Piccinini , Alexander Langmann , Johannes Betz

The objective of constrained motion planning is to connect start and goal configurations while satisfying task-specific constraints. Motion planning becomes inefficient or infeasible when the configurations lie in disconnected regions,…

Robotics · Computer Science 2026-03-27 Suhyun Jeon , Yumin Lim , Woo-Jeong Baek , Hyeonseo Kim , Suhan Park , Jaeheung Park

Conditional Generative Adversarial Networks (cGAN) were designed to generate images based on the provided conditions, \eg, class-level distributions. However, existing methods have used the same generating architecture for all classes. This…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Peng Zhou , Lingxi Xie , Xiaopeng Zhang , Bingbing Ni , Qi Tian