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Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

Machine Learning · Computer Science 2023-12-12 Ellis R. Crabtree , Juan M. Bello-Rivas , Andrew L. Ferguson , Ioannis G. Kevrekidis

Bayesian inference on structured models typically relies on the ability to infer posterior distributions of underlying hidden variables. However, inference in implicit models or complex posterior distributions is hard. A popular tool for…

Machine Learning · Statistics 2016-12-16 Theofanis Karaletsos

Deep neural network-based image compression (NIC) has achieved excellent performance, but NIC method models have been shown to be susceptible to backdoor attacks. Adversarial training has been validated in image compression models as a…

Image and Video Processing · Electrical Eng. & Systems 2024-03-19 Zhi Cao , Youneng Bao , Fanyang Meng , Chao Li , Wen Tan , Genhong Wang , Yongsheng Liang

Data inconsistency leads to a slow training process when deep neural networks are used for the inverse design of photonic devices, an issue that arises from the fundamental property of non-uniqueness in all inverse scattering problems. Here…

Optics · Physics 2018-04-09 Dianjing Liu , Yixuan Tan , Erfan Khoram , Zongfu Yu

Despite unconditional feature inversion being the foundation of many image synthesis applications, training an inverter demands a high computational budget, large decoding capacity and imposing conditions such as autoregressive priors. To…

Computer Vision and Pattern Recognition · Computer Science 2022-10-24 Renan A. Rojas-Gomez , Raymond A. Yeh , Minh N. Do , Anh Nguyen

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof

We present a conditional diffusion model for electromagnetic inverse design that generates structured media geometries directly from target differential scattering cross-section profiles, bypassing expensive iterative optimization. Our 1D…

Machine Learning · Computer Science 2025-11-10 Mikhail Tsukerman , Konstantin Grotov , Pavel Ginzburg

Deep neural networks give state-of-the-art accuracy for reconstructing images from few and noisy measurements, a problem arising for example in accelerated magnetic resonance imaging (MRI). However, recent works have raised concerns that…

Image and Video Processing · Electrical Eng. & Systems 2021-06-14 Mohammad Zalbagi Darestani , Akshay S. Chaudhari , Reinhard Heckel

We introduce a novel technique for designing color filter metasurfaces using a data-driven approach based on deep learning. Our innovative approach employs inverse design principles to identify highly efficient designs that outperform all…

We propose a higher-level associative memory for learning adversarial networks. Generative adversarial network (GAN) framework has a discriminator and a generator network. The generator (G) maps white noise (z) to data samples while the…

Machine Learning · Computer Science 2016-11-23 Tarik Arici , Asli Celikyilmaz

We study a new family of inverse problems for recovering representations of corrupted data. We assume access to a pre-trained representation learning network R(x) that operates on clean images, like CLIP. The problem is to recover the…

Machine Learning · Computer Science 2021-10-28 Sriram Ravula , Georgios Smyrnis , Matt Jordan , Alexandros G. Dimakis

Adversarial training, in which a network is trained on both adversarial and clean examples, is one of the most trusted defense methods against adversarial attacks. However, there are three major practical difficulties in implementing and…

Machine Learning · Computer Science 2019-10-11 Shixian Wen , Laurent Itti

Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules. AI-based synthesis planning models could be a potential remedy to find effective syntheses, and have made progress in recent…

In this paper we develop a novel computational sensing framework for sensing and recovering structured signals. When trained on a set of representative signals, our framework learns to take undersampled measurements and recover signals from…

Machine Learning · Statistics 2017-07-12 Ali Mousavi , Gautam Dasarathy , Richard G. Baraniuk

We propose a new generative model of projected cosmic mass density maps inferred from weak gravitational lensing observations of distant galaxies (weak lensing mass maps). We construct the model based on a neural style transfer so that it…

Cosmology and Nongalactic Astrophysics · Physics 2024-05-24 Masato Shirasaki , Shiro Ikeda

Compressive sensing magnetic resonance imaging (CS-MRI) accelerates the acquisition of MR images by breaking the Nyquist sampling limit. In this work, a novel generative adversarial network (GAN) based framework for CS-MRI reconstruction is…

Image and Video Processing · Electrical Eng. & Systems 2020-04-28 Puneesh Deora , Bhavya Vasudeva , Saumik Bhattacharya , Pyari Mohan Pradhan

Coarse-grained (CG) molecular dynamics simulations enable efficient exploration of protein conformational ensembles. However, reconstructing atomic details from CG structures (backmapping) remains a challenging problem. Current approaches…

Machine Learning · Computer Science 2025-12-30 Xu Han , Yuancheng Sun , Kai Chen , Yuxuan Ren , Kang Liu , Qiwei Ye

Deep neural networks (DNNs) are recently shown to be vulnerable to backdoor attacks, where attackers embed hidden backdoors in the DNN model by injecting a few poisoned examples into the training dataset. While extensive efforts have been…

Artificial Intelligence · Computer Science 2023-03-14 Zaixi Zhang , Qi Liu , Zhicai Wang , Zepu Lu , Qingyong Hu

Recently, with the significant developments in deep learning techniques, solving underdetermined inverse problems has become one of the major concerns in the medical imaging domain. Typical examples include undersampled magnetic resonance…

Image and Video Processing · Electrical Eng. & Systems 2020-06-29 Chang Min Hyun , Seong Hyeon Baek , Mingyu Lee , Sung Min Lee , Jin Keun Seo

Generative adversarial networks, which can generate metasurfaces based on a training set of high performance device layouts, have the potential to significantly reduce the computational cost of the metasurface design process. However, basic…

Computational Physics · Physics 2019-12-03 Fufang Wen , Jiaqi Jiang , Jonathan A. Fan
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