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Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. In this work,…

Machine Learning · Computer Science 2024-11-15 Richard John , Lukas Herron , Pratyush Tiwary

Standard neural networks are often overconfident when presented with data outside the training distribution. We introduce HyperGAN, a new generative model for learning a distribution of neural network parameters. HyperGAN does not require…

Machine Learning · Computer Science 2020-07-16 Neale Ratzlaff , Li Fuxin

Generative models for tabular data have evolved rapidly beyond Generative Adversarial Networks (GANs). While GANs pioneered synthetic tabular data generation, recent advances in diffusion models and large language models (LLMs) have opened…

Machine Learning · Computer Science 2026-04-10 Insaf Ashrapov

Structural topology optimization, which aims to find the optimal physical structure that maximizes mechanical performance, is vital in engineering design applications in aerospace, mechanical, and civil engineering. Generative adversarial…

Machine Learning · Computer Science 2022-12-07 François Mazé , Faez Ahmed

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Deep learning offers promising capabilities for the statistical downscaling of climate and weather forecasts, with generative approaches showing particular success in capturing fine-scale precipitation patterns. However, most existing…

Machine Learning · Computer Science 2025-12-02 Paula Harder , Christian Lessig , Matthew Chantry , Francis Pelletier , David Rolnick

Generative AI offers new opportunities for automating urban planning by creating site-specific urban layouts and enabling flexible design exploration. However, existing approaches often struggle to produce realistic and practical designs at…

Computer Vision and Pattern Recognition · Computer Science 2025-05-15 Qingyi Wang , Yuebing Liang , Yunhan Zheng , Kaiyuan Xu , Jinhua Zhao , Shenhao Wang

Strong generative models can accurately learn channel distributions. This could save recurring costs for physical measurements of the channel. Moreover, the resulting differentiable channel model supports training neural encoders by…

Information Theory · Computer Science 2024-06-12 Muah Kim , Rick Fritschek , Rafael F. Schaefer

An open secret in contemporary machine learning is that many models work beautifully on standard benchmarks but fail to generalize outside the lab. This has been attributed to biased training data, which provide poor coverage over real…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Ali Jahanian , Lucy Chai , Phillip Isola

Understanding how droughts may change in the future is essential for anticipating and mitigating their adverse impacts. However, robust climate projections require large amounts of high-resolution climate simulations, particularly for…

Atmospheric and Oceanic Physics · Physics 2025-09-29 Hamish Lewis , Neelesh Rampal , Peter B. Gibson , Luke J. Harrington , Chiara M. Holgate , Anna Ukkola , Nicola M. Maher

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible…

Machine Learning · Computer Science 2024-04-12 Minshuo Chen , Song Mei , Jianqing Fan , Mengdi Wang

Scenario-based probabilistic forecasts have become vital for decision-makers in handling intermittent renewable energies. This paper presents a recent promising deep learning generative approach called denoising diffusion probabilistic…

Machine Learning · Computer Science 2023-08-22 Esteban Hernandez Capel , Jonathan Dumas

Generative Adversarial Networks (GANs) are proficient at generating synthetic data but continue to suffer from mode collapse, where the generator produces a narrow range of outputs that fool the discriminator but fail to capture the full…

Machine Learning · Computer Science 2025-11-03 Mahsa Valizadeh , Rui Tuo , James Caverlee

Generative Adversarial Networks (GANs) have shown immense potential in fields such as text and image generation. Only very recently attempts to exploit GANs to statistical-mechanics models have been reported. Here we quantitatively test…

Statistical Mechanics · Physics 2024-05-07 Daniele Lanzoni , Olivier Pierre-Louis , Francesco Montalenti

Despite various breakthroughs in machine learning and data analysis techniques for improving smart operation and management of urban water infrastructures, some key limitations obstruct this progress. Among these shortcomings, the absence…

Machine Learning · Computer Science 2023-02-01 Amin E. Bakhshipour , Alireza Koochali , Ulrich Dittmer , Ali Haghighi , Sheraz Ahmad , Andreas Dengel

Diffusion models have recently driven significant breakthroughs in generative modeling. While state-of-the-art models produce high-quality samples on average, individual samples can still be low quality. Detecting such samples without human…

Machine Learning · Computer Science 2025-06-13 Metod Jazbec , Eliot Wong-Toi , Guoxuan Xia , Dan Zhang , Eric Nalisnick , Stephan Mandt

Generative modeling has drawn much attention in creative and scientific data generation tasks. Score-based Diffusion Models, a type of generative model that iteratively learns to denoise data, have shown state-of-the-art results on tasks…

Robotics · Computer Science 2024-05-21 Tyler Presser , Agnimitra Dasgupta , Daniel Erwin , Assad Oberai

Path planning in complex environments is one of the key problems of artificial intelligence because it requires simultaneous understanding of the geometry of space and the global structure of the problem. In this paper, we explore the…

Artificial Intelligence · Computer Science 2026-02-24 Agnieszka Polowczyk , Alicja Polowczyk , Michał Wieczorek

Generative adversarial networks (GANs) have proven effective in modeling distributions of high-dimensional data. However, their training instability is a well-known hindrance to convergence, which results in practical challenges in their…

Machine Learning · Computer Science 2022-09-28 Alessandro Ferrero , Shireen Elhabian , Ross Whitaker

We extend and improve the work of Model Agnostic Anchors for explanations on image classification through the use of generative adversarial networks (GANs). Using GANs, we generate samples from a more realistic perturbation distribution, by…

Machine Learning · Statistics 2019-06-04 Kurtis Evan David , Harrison Keane , Jun Min Noh