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Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Gene Chou , Yuval Bahat , Felix Heide

We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…

We introduce a conditional pseudo-reversible normalizing flow for constructing surrogate models of a physical model polluted by additive noise to efficiently quantify forward and inverse uncertainty propagation. Existing surrogate modeling…

Machine Learning · Computer Science 2024-04-02 Minglei Yang , Pengjun Wang , Ming Fan , Dan Lu , Yanzhao Cao , Guannan Zhang

Predicting counterfactual outcomes in longitudinal data, where sequential treatment decisions heavily depend on evolving patient states, is critical yet notoriously challenging due to complex time-dependent confounding and inadequate…

Machine Learning · Statistics 2026-04-15 Farbod Alinezhad , Jianfei Cao , Gary J. Young , Brady Post

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free…

A combination of physics-based simulation and experiments has been critical to achieving ignition in inertial confinement fusion (ICF). Simulation and experiment both produce a mixture of scalar and images outputs, however only a subset of…

Generative models for quantum data pose significant challenges but hold immense potential in fields such as chemoinformatics and quantum physics. Quantum denoising diffusion probabilistic models (QuDDPMs) enable efficient learning of…

Quantum Physics · Physics 2026-03-03 Quoc Hoan Tran , Koki Chinzei , Yasuhiro Endo , Hirotaka Oshima

We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. For potentials which are constant outside a bounded domain,…

Chemical Physics · Physics 2023-07-10 Jason Kaye , Alex Barnett , Leslie Greengard , Umberto De Giovannini , Angel Rubio

Due to limited computational power, performing uncertainty quantification analyses with complex computational models can be a challenging task. This is exacerbated in the context of stochastic simulators, the response of which to a given…

Computation · Statistics 2019-11-21 X. Zhu , B. Sudret

Decentralized multi-robot motion planning requires each robot to generate collision-free trajectories from local observations, without global sensing or reliable communication. However, most existing planners, whether classical or…

Robotics · Computer Science 2026-05-28 Jinhao Liang , Sven Koenig , Ferdinando Fioretto

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis,…

Solving partial differential equations (PDEs) on fine spatio-temporal scales for high-fidelity solutions is critical for numerous scientific breakthroughs. Yet, this process can be prohibitively expensive, owing to the inherent complexities…

Numerical Analysis · Mathematics 2024-04-09 Yulong Lu , Wuzhe Xu

Diffusion Probabilistic Models stand as a critical tool in generative modelling, enabling the generation of complex data distributions. This family of generative models yields record-breaking performance in tasks such as image synthesis,…

This paper presents a Consensus ADMM-based modeling and solving approach for the stochastic ACOPF. The proposed optimization model considers the load forecasting uncertainty and its induced load-shedding cost via Monte Carlo sampling. The…

Systems and Control · Electrical Eng. & Systems 2024-11-05 Shan Yang , Yongli Zhu

Classifier-Free Guidance (CFG) is a widely used technique for improving conditional diffusion models by linearly combining the outputs of conditional and unconditional denoisers. While CFG enhances visual quality and improves alignment with…

Machine Learning · Computer Science 2025-05-28 Badr Moufad , Yazid Janati , Alain Durmus , Ahmed Ghorbel , Eric Moulines , Jimmy Olsson

Mitigating catastrophic forgetting is a key hurdle in continual learning. Deep Generative Replay (GR) provides techniques focused on generating samples from prior tasks to enhance the model's memory capabilities using generative AI models…

Machine Learning · Computer Science 2024-03-25 Khanh Doan , Quyen Tran , Tung Lam Tran , Tuan Nguyen , Dinh Phung , Trung Le

The discovery and study of new material systems rely on molecular simulations that often come with significant computational expense. We propose MDDM, a Molecular Dynamics Diffusion Model, which is capable of predicting a valid output…

Machine Learning · Computer Science 2025-09-11 Kevin Ferguson , Yu-hsuan Chen , Levent Burak Kara

This paper presents three fractional models formulated from a classical Pharmacokinetics compartmental system: commensurable, non-commensurable, and implicit non-commensurable models. Their distinguishing characteristics are further…

Quantitative Methods · Quantitative Biology 2023-06-16 Reindorf Nartey Borkor , Adu Sakyi , Peter Amoako-Yirenkyi

Recently, conditional diffusion models have gained popularity in numerous applications due to their exceptional generation ability. However, many existing methods are training-required. They need to train a time-dependent classifier or a…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Jiwen Yu , Yinhuai Wang , Chen Zhao , Bernard Ghanem , Jian Zhang

We present a novel character control framework that effectively utilizes motion diffusion probabilistic models to generate high-quality and diverse character animations, responding in real-time to a variety of dynamic user-supplied control…

Graphics · Computer Science 2024-04-24 Rui Chen , Mingyi Shi , Shaoli Huang , Ping Tan , Taku Komura , Xuelin Chen
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