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Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

Consumer-grade printers are widely available, but their ability to print complex objects is limited. Therefore, new designs need to be discovered that serve the same function, but are printable. A representative such problem is to produce a…

Neural and Evolutionary Computing · Computer Science 2018-04-20 Cem C. Tutum , Supawit Chockchowwat , Etienne Vouga , Risto Miikkulainen

Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

As a kind of generative self-supervised learning methods, generative adversarial nets have been widely studied in the field of anomaly detection. However, the representation learning ability of the generator is limited since it pays too…

Computer Vision and Pattern Recognition · Computer Science 2021-07-28 Xuan Xia , Xizhou Pan , Xing He , Jingfei Zhang , Ning Ding , Lin Ma

Two fundamental challenges face generative models in engineering applications: the acquisition of high-performing, diverse datasets, and the adherence to precise constraints in generated designs. We propose a novel approach combining…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Adam Gaier , James Stoddart , Lorenzo Villaggi , Shyam Sudhakaran

Deep generative models are proven to be a useful tool for automatic design synthesis and design space exploration. When applied in engineering design, existing generative models face three challenges: 1) generated designs lack diversity and…

Machine Learning · Computer Science 2021-08-17 Wei Chen , Faez Ahmed

A central challenge in Bayesian inference is efficiently approximating posterior distributions. Stein Variational Gradient Descent (SVGD) is a popular variational inference method which transports a set of particles to approximate a target…

Machine Learning · Statistics 2025-12-05 Moritz Melcher , Simon Weissmann , Ashia C. Wilson , Jakob Zech

Designing new industrial materials with desired properties can be very expensive and time consuming. The main difficulty is to generate compounds that correspond to realistic materials. Indeed, the description of compounds as vectors of…

Machine Learning · Computer Science 2021-12-20 Fouad Oubari , Antoine de Mathelin , Rodrigue Décatoire , Mathilde Mougeot

A main challenge in mechanical design is to efficiently explore the design space while satisfying engineering constraints. This work explores the use of 3D generative models to explore the design space in the context of vehicle development,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Hayata Morita , Kohei Shintani , Chenyang Yuan , Frank Permenter

We propose a black-box variational inference method to approximate intractable distributions with an increasingly rich approximating class. Our method, termed variational boosting, iteratively refines an existing variational approximation…

Machine Learning · Statistics 2017-02-21 Andrew C. Miller , Nicholas Foti , Ryan P. Adams

Deep generative models (DGMs) and their conditional counterparts provide a powerful ability for general-purpose generative modeling of data distributions. However, it remains challenging for existing methods to address advanced conditional…

Computer Vision and Pattern Recognition · Computer Science 2023-05-24 Yuxiao Li , Santiago Mazuelas , Yuan Shen

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based…

Machine Learning · Computer Science 2026-04-28 Gurjeet Sangra Singh , Frantzeska Lavda , Giangiacomo Mercatali , Alexandros Kalousis

Black box variational inference allows researchers to easily prototype and evaluate an array of models. Recent advances allow such algorithms to scale to high dimensions. However, a central question remains: How to specify an expressive…

Machine Learning · Statistics 2016-06-01 Rajesh Ranganath , Dustin Tran , David M. Blei

Experimental design techniques such as active search and Bayesian optimization are widely used in the natural sciences for data collection and discovery. However, existing techniques tend to favor exploitation over exploration of the search…

Machine Learning · Statistics 2024-05-07 Quan Nguyen , Adji Bousso Dieng

Diffusion models have become emerging generative models. Their sampling process involves multiple steps, and in each step the models predict the noise from a noisy sample. When the models make prediction, the output deviates from the ground…

Machine Learning · Computer Science 2025-10-28 Shifeng Xu , Yanzhu Liu , Adams Wai-Kin Kong

We introduce a simple but effective unsupervised method for generating realistic and diverse images. We train a class-conditional GAN model without using manually annotated class labels. Instead, our model is conditional on labels…

Computer Vision and Pattern Recognition · Computer Science 2022-02-11 Steven Liu , Tongzhou Wang , David Bau , Jun-Yan Zhu , Antonio Torralba

Learning to generate graphs is challenging as a graph is a set of pairwise connected, unordered nodes encoding complex combinatorial structures. Recently, several works have proposed graph generative models based on normalizing flows or…

Machine Learning · Computer Science 2023-06-21 Xiaohui Chen , Yukun Li , Aonan Zhang , Li-Ping Liu

Equivocal 3D lesion segmentation exhibits high inter-observer variability. Conventional deterministic models ignore this aleatoric uncertainty, producing over-confident masks that obscure clinical risks. Conversely, while generative methods…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Chao Wu , Kangxian Xie , Mingchen Gao

In many domains generating variable length sequences through insertions provides greater flexibility over autoregressive models. However, the action space of insertion models is much larger than that of autoregressive models (ARMs) making…

Majority of state-of-the-art deep learning methods are discriminative approaches, which model the conditional distribution of labels given inputs features. The success of such approaches heavily depends on high-quality labeled instances,…

Machine Learning · Computer Science 2019-09-13 Yanwu Xu , Mingming Gong , Junxiang Chen , Tongliang Liu , Kun Zhang , Kayhan Batmanghelich