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Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings,…

Materials Science · Physics 2025-09-18 Jonas A. Finkler , Yan Lin , Tao Du , Jilin Hu , Morten M. Smedskjaer

This paper introduces a methodology designed to augment the inverse design optimization process in scenarios constrained by limited compute, through the strategic synergy of multi-fidelity evaluations, machine learning models, and…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

Diffusion models have been successful on a range of conditional generation tasks including molecular design and text-to-image generation. However, these achievements have primarily depended on task-specific conditional training or…

Machine Learning · Statistics 2024-11-26 Luhuan Wu , Brian L. Trippe , Christian A. Naesseth , David M. Blei , John P. Cunningham

Recent advances in denoising diffusion probabilistic models have shown great success in image synthesis tasks. While there are already works exploring the potential of this powerful tool in image semantic segmentation, its application in…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Xinrong Hu , Yu-Jen Chen , Tsung-Yi Ho , Yiyu Shi

Implicit generative modeling (IGM) aims to produce samples of synthetic data matching the characteristics of a target data distribution. Recent work (e.g. score-matching networks, diffusion models) has approached the IGM problem from the…

Machine Learning · Computer Science 2026-05-21 Romann M. Weber

Score-based generative models (SGMs) have recently emerged as a promising class of generative models. However, a fundamental limitation is that their sampling process is slow due to a need for many (e.g., 2000) iterations of sequential…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Hengyuan Ma , Xiatian Zhu , Jianfeng Feng , Li Zhang

Multi-turn compositional image generation (M-CIG) is a challenging task that aims to iteratively manipulate a reference image given a modification text. While most of the existing methods for M-CIG are based on generative adversarial…

Computer Vision and Pattern Recognition · Computer Science 2023-11-15 Chao Wang

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Programmable structures are systems whose undeformed geometries and material property distributions are deliberately designed to achieve prescribed deformed configurations under specific loading conditions. Inflatable structures are a…

Computational Engineering, Finance, and Science · Computer Science 2025-08-19 Sara Karimi , Nikolaos N. Vlassis

Implicit generative models have the capability to learn arbitrary complex data distributions. On the downside, training requires telling apart real data from artificially-generated ones using adversarial discriminators, leading to unstable…

Machine Learning · Computer Science 2024-02-27 José Manuel de Frutos , Pablo M. Olmos , Manuel A. Vázquez , Joaquín Míguez

Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells…

Machine Learning · Computer Science 2026-05-01 Yan Lin , Jilin Hu , N. M. Anoop Krishnan , Morten M. Smedskjaer

The goal of inverse design in distributed circuits is to generate near-optimal designs that meet a desirable transfer function specification. Existing design exploration methods use some combination of strategies involving artificial grids,…

Systems and Control · Electrical Eng. & Systems 2025-06-11 Jiayu Li , Masood Mortazavi , Ning Yan , Yihong Ma , Reza Zafarani

Diffusion models achieve strong performance in generative modeling, but their success often relies heavily on classifier-free guidance (CFG), an inference-time heuristic that modifies the sampling trajectory. In theory, diffusion models…

Machine Learning · Computer Science 2026-05-14 Xiang Li , Yixuan Jia , Xiao Li , Jeffrey A. Fessler , Rongrong Wang , Qing Qu

Reconstructing medical images from partial measurements is an important inverse problem in Computed Tomography (CT) and Magnetic Resonance Imaging (MRI). Existing solutions based on machine learning typically train a model to directly map…

Image and Video Processing · Electrical Eng. & Systems 2022-06-17 Yang Song , Liyue Shen , Lei Xing , Stefano Ermon

Predictive models trained on imbalanced data tend to produce biased results. This problem is exacerbated when there is not just one output label, but a set of them. This is the case for multilabel learning (MLL) algorithms used to classify…

Machine Learning · Computer Science 2025-01-22 Francisco Charte , Miguel Ángel Dávila , María Dolores Pérez-Godoy , María José del Jesus

Most recent machine learning research focuses on developing new classifiers for the sake of improving classification accuracy. With many well-performing state-of-the-art classifiers available, there is a growing need for understanding…

Machine Learning · Computer Science 2020-09-30 Jaehoon Koo , Diego Klabjan , Jean Utke

Humans can learn concepts or recognize items from just a handful of examples, while machines require many more samples to perform the same task. In this paper, we build a computational model to investigate the possibility of this kind of…

Artificial Intelligence · Computer Science 2016-11-09 Wen-Chieh Fang , Yi-ting Chiang

Generative learning generates high dimensional data based on low dimensional conditions, also called prompts. Therefore, generative learning algorithms are eligible for solving (Bayesian) inverse problems. In this article we compare a…

Machine Learning · Computer Science 2026-02-02 Patrick Krüger , Patrick Materne , Werner Krebs , Hanno Gottschalk

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over…

Computation and Language · Computer Science 2021-05-07 Muhammad Khalifa , Hady Elsahar , Marc Dymetman

In this paper, we introduce a new class of score-based generative models (SGMs) designed to handle high-cardinality data distributions by leveraging concepts from mean-field theory. We present mean-field chaos diffusion models (MF-CDMs),…

Machine Learning · Computer Science 2024-06-11 Sungwoo Park , Dongjun Kim , Ahmed Alaa