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Related papers: Compositional Generative Inverse Design

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We introduce an adjoint-based aerodynamic shape optimization framework that integrates a diffusion model trained on existing designs to learn a smooth manifold of aerodynamically viable shapes. This manifold is enforced as an equality…

Computational Engineering, Finance, and Science · Computer Science 2025-08-01 Long Chen , Emre Oezkaya , Jan Rottmayer , Nicolas R. Gauger , Zebang Shen , Yinyu Ye

We propose a new class of generative models that naturally handle data of varying dimensionality by jointly modeling the state and dimension of each datapoint. The generative process is formulated as a jump diffusion process that makes…

Topology Optimization seeks to find the best design that satisfies a set of constraints while maximizing system performance. Traditional iterative optimization methods like SIMP can be computationally expensive and get stuck in local…

Machine Learning · Computer Science 2023-03-20 Giorgio Giannone , Faez Ahmed

This paper focuses on inverse problems arising in studying multi-population aggregations. The goal is to reconstruct the diffusion coefficient, advection coefficient, and interaction kernels of the aggregation system, which characterize the…

Analysis of PDEs · Mathematics 2025-05-14 Yuhan Li , Hongyu Liu , Catharine W. K. Lo

A key challenge in machine learning is to explain how learning dynamics select among the many solutions that achieve identical loss values in overparameterized models - a phenomenon known as implicit bias. Controlling this bias provides a…

Machine Learning · Computer Science 2026-04-07 Nicola Aladrah , Emanuele Ballarin , Matteo Biagetti , Alessio Ansuini , Alberto d'Onofrio , Fabio Anselmi

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

Diffusion models promise to accelerate material design by directly generating novel structures with desired properties, but existing approaches typically require expensive and substantial labeled data ($>$10,000) and lack adaptability. Here…

Chemical Physics · Physics 2025-11-06 Junwu Chen , Jeff Guo , Edvin Fako , Philippe Schwaller

How can we learn generative models to sample data with arbitrary logical compositions of statistically independent attributes? The prevailing solution is to sample from distributions expressed as a composition of attributes' conditional…

Machine Learning · Computer Science 2025-03-04 Sachit Gaudi , Gautam Sreekumar , Vishnu Boddeti

Denoising diffusion models represent a recent emerging topic in computer vision, demonstrating remarkable results in the area of generative modeling. A diffusion model is a deep generative model that is based on two stages, a forward…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Mubarak Shah

Diffusion probabilistic models (DPMs) have become a popular approach to conditional generation, due to their promising results and support for cross-modal synthesis. A key desideratum in conditional synthesis is to achieve high…

Computer Vision and Pattern Recognition · Computer Science 2023-02-17 Ye Zhu , Yu Wu , Kyle Olszewski , Jian Ren , Sergey Tulyakov , Yan Yan

Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and…

The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Jan-Hendrik Bastek , Dennis M. Kochmann

Smooth and curved microstructural topologies found in nature - from soap films to trabecular bone - have inspired several mimetic design spaces for architected metamaterials and bio-scaffolds. However, the design approaches so far have been…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Yaqi Guo , Saurav Sharma , Siddhant Kumar

Accurately predicting 3D occupancy grids from visual inputs is critical for autonomous driving, but current discriminative methods struggle with noisy data, incomplete observations, and the complex structures inherent in 3D scenes. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 Yunshen Wang , Yicheng Liu , Tianyuan Yuan , Yingshi Liang , Xiuyu Yang , Honggang Zhang , Hang Zhao

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

By framing reinforcement learning as a sequence modeling problem, recent work has enabled the use of generative models, such as diffusion models, for planning. While these models are effective in predicting long-horizon state trajectories…

Diffusion models have risen as a promising approach to data-driven planning, and have demonstrated impressive robotic control, reinforcement learning, and video planning performance. Given an effective planner, an important question to…

Robotics · Computer Science 2023-10-17 Siyuan Zhou , Yilun Du , Shun Zhang , Mengdi Xu , Yikang Shen , Wei Xiao , Dit-Yan Yeung , Chuang Gan

Compositing an object into an image involves multiple non-trivial sub-tasks such as object placement and scaling, color/lighting harmonization, viewpoint/geometry adjustment, and shadow/reflection generation. Recent generative image…

Computer Vision and Pattern Recognition · Computer Science 2024-09-12 Gemma Canet Tarrés , Zhe Lin , Zhifei Zhang , Jianming Zhang , Yizhi Song , Dan Ruta , Andrew Gilbert , John Collomosse , Soo Ye Kim

Reversible computing is motivated by both pragmatic and foundational considerations arising from a variety of disciplines. We take a particular path through the development of reversible computation, emphasizing compositional reversible…

Logic in Computer Science · Computer Science 2024-06-03 Jacques Carette , Chris Heunen , Robin Kaarsgaard , Amr Sabry

Designing materials with targeted properties remains challenging due to the vastness of chemical space and the scarcity of property-labeled data. While recent advances in generative models offer a promising way for inverse design, most…

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