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Diffusion models have attained prominence for their ability to synthesize a probability distribution for a given dataset via a diffusion process, enabling the generation of new data points with high fidelity. However, diffusion processes…

Machine Learning · Computer Science 2024-11-25 Shervin Khalafi , Dongsheng Ding , Alejandro Ribeiro

Computational modeling of aerodynamics is a key problem in aerospace engineering, often involving flows interacting with solid objects such as airfoils. Deep surrogate models have emerged as purely data-driven approaches that learn direct…

Machine Learning · Computer Science 2024-12-16 Jacob Helwig , Xuan Zhang , Haiyang Yu , Shuiwang Ji

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

The stochastic formation of defects during Laser Powder Bed Fusion (L-PBF) negatively impacts its adoption for high-precision use cases. Optical monitoring techniques can be used to identify defects based on layer-wise imaging, but these…

Image and Video Processing · Electrical Eng. & Systems 2024-09-23 Francis Ogoke , Sumesh Kalambettu Suresh , Jesse Adamczyk , Dan Bolintineanu , Anthony Garland , Michael Heiden , Amir Barati Farimani

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…

Machine Learning · Computer Science 2026-04-21 Kijung Jeon , Michael Muehlebach , Molei Tao

We consider the application of deep generative models in propagating uncertainty through complex physical systems. Specifically, we put forth an implicit variational inference formulation that constrains the generative model output to…

Machine Learning · Statistics 2018-12-11 Yibo Yang , Paris Perdikaris

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Generative systems are becoming a crucial part of current design practice. There exist gaps however, between the digital processes, field data and designer's input. To solve this problem, multiple processes were developed in order to…

Graphics · Computer Science 2023-12-22 Demircan Tas , Osman Sumer

Design optimisation offers the potential to develop lightweight aircraft structures with reduced environmental impact. Due to the high number of design variables and constraints, these challenges are typically addressed using gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-08-04 Hauke F. Maathuis , Roeland De Breuker , Saullo G. P. Castro

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Changyou Chen , Han Ding , Bunyamin Sisman , Yi Xu , Ouye Xie , Benjamin Z. Yao , Son Dinh Tran , Belinda Zeng

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

Geological parameterization entails the representation of a geomodel using a small set of latent variables and a mapping from these variables to grid-block properties such as porosity and permeability. Parameterization is useful for data…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Guido Di Federico , Louis J. Durlofsky

Effective airfoil geometry optimization requires exploring a diverse range of designs using as few design variables as possible. This study introduces AirDbM, a Design-by-Morphing (DbM) approach specialized for airfoil optimization that…

Machine Learning · Computer Science 2025-11-17 Sangjoon Lee , Haris Moazam Sheikh

Correctly capturing the symmetry transformations of data can lead to efficient models with strong generalization capabilities, though methods incorporating symmetries often require prior knowledge. While recent advancements have been made…

Diffusion models recently developed for generative AI tasks can produce high-quality samples while still maintaining diversity among samples to promote mode coverage, providing a promising path for learning stochastic closure models.…

Machine Learning · Computer Science 2026-02-20 Xinghao Dong , Huchen Yang , Jin-long Wu

Synthesizing fully developed three-dimensional turbulent velocity fields remains a long-standing problem in fluid mechanics and an open challenge for generative modeling. The difficulty arises from the coexistence of extreme dimensionality,…

Fluid Dynamics · Physics 2026-03-16 Tianyi Li , Michele Buzzicotti , Fabio Bonaccorso , Luca Biferale

Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are…

Biomolecules · Quantitative Biology 2026-03-27 Jacob K. Christopher , Austin Seamann , Jingyi Cui , Sagar Khare , Ferdinando Fioretto

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

A key challenge in metasurface design is the development of algorithms that can effectively and efficiently produce high performance devices. Design methods based on iterative optimization can push the performance limits of metasurfaces,…

While perspective is a well-studied topic in art, it is generally taken for granted in images. However, for the recent wave of high-quality image synthesis methods such as latent diffusion models, perspective accuracy is not an explicit…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Rishi Upadhyay , Howard Zhang , Yunhao Ba , Ethan Yang , Blake Gella , Sicheng Jiang , Alex Wong , Achuta Kadambi