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Navigating the vast chemical space of molecular structures to design novel drug molecules with desired target properties remains a central challenge in drug discovery. Recent advances in generative models offer promising solutions. This…

Traditional generative adversarial networks (GAN) and many of its variants are trained by minimizing the KL or JS-divergence loss that measures how close the generated data distribution is from the true data distribution. A recent advance…

Computer Vision and Pattern Recognition · Computer Science 2017-04-18 Felix Juefei-Xu , Vishnu Naresh Boddeti , Marios Savvides

The development of new drugs is a tedious, time-consuming, and expensive process, for which the average costs are estimated to be up to around $2.5 billion. The first step in this long process is the design of the new drug, for which de…

Quantum Physics · Physics 2026-03-25 Julien Baglio , Yacine Haddad , Richard Polifka

Generative Adversarial Nets (GANs) represent an important milestone for effective generative models, which has inspired numerous variants seemingly different from each other. One of the main contributions of this paper is to reveal a…

Machine Learning · Statistics 2017-05-10 Jae Hyun Lim , Jong Chul Ye

The inverse design of metasurfaces poses a considerable challenge because of the intricate interdependencies that exist between structural characteristics and electromagnetic responses. Traditional optimization methods require significant…

Optics · Physics 2025-07-28 Sreeraj Rajan Warrier , Jayasri Dontabhaktuni

The prospect of quantum computing with a potential exponential speed-up compared to classical computing identifies it as a promising method in the search for alternative future High Energy Physics (HEP) simulation approaches. HEP…

Quantum Physics · Physics 2024-04-30 Florian Rehm , Sofia Vallecorsa , Michele Grossi , Kerstin Borras , Dirk Krücker

We introduce effective training algorithms for Generative Adversarial Networks (GAN) to alleviate mode collapse and gradient vanishing. In our system, we constrain the generator by an Autoencoder (AE). We propose a formulation to consider…

Computer Vision and Pattern Recognition · Computer Science 2018-12-18 Ngoc-Trung Tran , Tuan-Anh Bui , Ngai-Man Cheung

Generative Adversarial Nets (GANs) have shown promise in image generation and semi-supervised learning (SSL). However, existing GANs in SSL have two problems: (1) the generator and the discriminator (i.e. the classifier) may not be optimal…

Machine Learning · Computer Science 2017-11-07 Chongxuan Li , Kun Xu , Jun Zhu , Bo Zhang

Deep neural networks (DNNs) are vulnerable to adversarial examples, which are crafted by adding imperceptible perturbations to inputs. Recently different attacks and strategies have been proposed, but how to generate adversarial examples…

Machine Learning · Computer Science 2021-01-13 Tao Bai , Jun Zhao , Jinlin Zhu , Shoudong Han , Jiefeng Chen , Bo Li , Alex Kot

In this article, we introduce a new mode for training Generative Adversarial Networks (GANs). Rather than minimizing the distance of evidence distribution $\tilde{p}(x)$ and the generative distribution $q(x)$, we minimize the distance of…

Machine Learning · Computer Science 2018-10-30 Jianlin Su

Recent proposals for quantum generative adversarial networks (GANs) suffer from the issue of mode collapse, analogous to classical GANs, wherein the distribution learnt by the GAN fails to capture the high mode complexities of the target…

Quantum Physics · Physics 2025-05-23 Aaron Mark Thomas , Harry Youel , Sharu Theresa Jose

Generative adversarial networks (GANs) are a class of generative models, known for producing accurate samples. The key feature of GANs is that there are two antagonistic neural networks: the generator and the discriminator. The main…

Machine Learning · Computer Science 2025-08-05 Barbara Franci , Sergio Grammatico

We introduce Kernel Density Discrimination GAN (KDD GAN), a novel method for generative adversarial learning. KDD GAN formulates the training as a likelihood ratio optimization problem where the data distributions are written explicitly via…

Machine Learning · Computer Science 2021-07-14 Abdelhak Lemkhenter , Adam Bielski , Alp Eren Sari , Paolo Favaro

We propose the BinaryGAN, a novel generative adversarial network (GAN) that uses binary neurons at the output layer of the generator. We employ the sigmoid-adjusted straight-through estimators to estimate the gradients for the binary…

Machine Learning · Computer Science 2018-10-12 Hao-Wen Dong , Yi-Hsuan Yang

Deep learning has been shown to be able to recognize data patterns better than humans in specific circumstances or contexts. In parallel, quantum computing has demonstrated to be able to output complex wave functions with a few number of…

Quantum Physics · Physics 2021-08-05 Junhua Liu , Kwan Hui Lim , Kristin L. Wood , Wei Huang , Chu Guo , He-Liang Huang

Generative adversarial networks (GANs) have demonstrated to be successful at generating realistic real-world images. In this paper we compare various GAN techniques, both supervised and unsupervised. The effects on training stability of…

Machine Learning · Computer Science 2018-03-28 Mathijs Pieters , Marco Wiering

Generative Adversarial Networks (GANs) have known a tremendous success for many continuous generation tasks, especially in the field of image generation. However, for discrete outputs such as language, optimizing GANs remains an open…

Machine Learning · Computer Science 2022-01-31 Sylvain Lamprier , Thomas Scialom , Antoine Chaffin , Vincent Claveau , Ewa Kijak , Jacopo Staiano , Benjamin Piwowarski

Generative adversarial networks (GANs) are pow- erful generative models based on providing feed- back to a generative network via a discriminator network. However, the discriminator usually as- sesses individual samples. This prevents the…

Machine Learning · Computer Science 2018-06-20 Thomas Lucas , Corentin Tallec , Jakob Verbeek , Yann Ollivier

The demand for artificially generated data for the development, training and testing of new algorithms is omnipresent. Quantum computing (QC), does offer the hope that its inherent probabilistic functionality can be utilised in this field…

Machine Learning · Computer Science 2025-09-03 Tobias Rohe , Florian Burger , Michael Kölle , Sebastian Wölckert , Maximilian Zorn , Claudia Linnhoff-Popien

A recent technical breakthrough in the domain of machine learning is the discovery and the multiple applications of Generative Adversarial Networks (GANs). Those generative models are computationally demanding, as a GAN is composed of two…

Machine Learning · Computer Science 2021-04-14 Corentin Hardy , Erwan Le Merrer , Bruno Sericola
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