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Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

Generative models excel at synthesizing high-fidelity samples from complex data distributions, but they often violate hard constraints arising from physical laws or task specifications. A common remedy is to project intermediate samples…

Machine Learning · Computer Science 2025-09-30 Jinhao Liang , Yixuan Sun , Anirban Samaddar , Sandeep Madireddy , Ferdinando Fioretto

The research of metamaterials has achieved enormous success in the manipulation of light in an artificially prescribed manner using delicately designed sub-wavelength structures, so-called meta-atoms. Even though modern numerical methods…

Optics · Physics 2019-01-31 Wei Ma , Feng Cheng , Yihao Xu , Qinlong Wen , Yongmin Liu

We formulate the inverse problem in a Bayesian framework and aim to train a generative model that allows us to simulate (i.e., sample from the likelihood) and do inference (i.e., sample from the posterior). We review the use of triangular…

Machine Learning · Statistics 2025-09-05 Tristan van Leeuwen , Christoph Brune , Marcello Carioni

Evaluating natural language generation systems is challenging due to the diversity of valid outputs. While human evaluation is the gold standard, it suffers from inconsistencies, lack of standardisation, and demographic biases, limiting…

Computation and Language · Computer Science 2025-09-11 Hanhua Hong , Chenghao Xiao , Yang Wang , Yiqi Liu , Wenge Rong , Chenghua Lin

Deep generative models have demonstrated remarkable success in medical image synthesis. However, ensuring conditioning faithfulness and high-quality synthetic images for direct or counterfactual generation remains a challenge. In this work,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Fangrui Huang , Alan Wang , Binxu Li , Bailey Trang , Ridvan Yesiloglu , Tianyu Hua , Wei Peng , Ehsan Adeli

Continuous Conditional Diffusion Model (CCDM) is a diffusion-based framework designed to generate high-quality images conditioned on continuous regression labels. Although CCDM has demonstrated clear advantages over prior approaches across…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Xin Ding , Yun Chen , Sen Zhang , Kao Zhang , Nenglun Chen , Peibei Cao , Yongwei Wang , Fei Wu

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang

Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large…

Materials Science · Physics 2025-02-26 Yun Hao , Che Fan , Beilin Ye , Wenhao Lu , Zhen Lu , Peilin Zhao , Zhifeng Gao , Qingyao Wu , Yanhui Liu , Tongqi Wen

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Machine Learning · Computer Science 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Score Distillation Sampling (SDS) has emerged as a prevalent technique for text-to-3D generation, enabling 3D content creation by distilling view-dependent information from text-to-2D guidance. However, they frequently exhibit shortcomings…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Zeyu Cai , Duotun Wang , Yixun Liang , Zhijing Shao , Ying-Cong Chen , Xiaohang Zhan , Zeyu Wang

Predicting counterfactual outcomes in longitudinal data, where sequential treatment decisions heavily depend on evolving patient states, is critical yet notoriously challenging due to complex time-dependent confounding and inadequate…

Machine Learning · Statistics 2026-04-15 Farbod Alinezhad , Jianfei Cao , Gary J. Young , Brady Post

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

Mode collapse is a significant unsolved issue of generative adversarial networks. In this work, we examine the causes of mode collapse from a novel perspective. Due to the nonuniform sampling in the training process, some sub-distributions…

Machine Learning · Computer Science 2024-01-22 Yanxiang Gong , Zhiwei Xie , Guozhen Duan , Zheng Ma , Mei Xie

Incomplete multi-view clustering (IMVC) has garnered increasing attention in recent years due to the common issue of missing data in multi-view datasets. The primary approach to address this challenge involves recovering the missing views…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Yuanyang Zhang , Yijie Lin , Weiqing Yan , Li Yao , Xinhang Wan , Guangyuan Li , Chao Zhang , Guanzhou Ke , Jie Xu

Generative adversarial networks (GANs) have shown remarkable success in generation of unstructured data, such as, natural images. However, discovery and separation of modes in the generated space, essential for several tasks beyond naive…

Computer Vision and Pattern Recognition · Computer Science 2019-03-26 Deepak Mishra , Prathosh A. P. , Aravind Jayendran , Varun Srivastava , Santanu Chaudhury

We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…

Machine Learning · Computer Science 2025-04-07 Luis Barba , Johannes Kirschner , Tomas Aidukas , Manuel Guizar-Sicairos , Benjamín Béjar

Recently, there has been a growing interest in generative models based on diffusions driven by the empirical robustness of these methods in generating high-dimensional photorealistic images and the possibility of using the vast existing…

Machine Learning · Statistics 2025-05-13 Jairon H. N. Batista , Flávio B. Gonçalves , Yuri F. Saporito , Rodrigo S. Targino

As an increasingly powerful technique in integrated photonics, inverse design uses optimization algorithms to automatically create compact, high-performance photonic structures, often yielding non-intuitive layouts far more compact than…

Optics · Physics 2026-03-03 Junho Park , Taehan Kim , Mohammad Ali , Di Liang

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv