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Existing drug discovery pipelines take 5-10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called chemical space which could be on the order of 1060 .…

Emerging Technologies · Computer Science 2021-01-12 Junde Li , Rasit Topaloglu , Swaroop Ghosh

Machine learning-based cybersecurity systems are highly vulnerable to adversarial attacks, while Generative Adversarial Networks (GANs) act as both powerful attack enablers and promising defenses. This survey systematically reviews…

Cryptography and Security · Computer Science 2025-10-01 Tharcisse Ndayipfukamiye , Jianguo Ding , Doreen Sebastian Sarwatt , Adamu Gaston Philipo , Huansheng Ning

Generative adversarial networks (GANs) are one of the most robust and versatile techniques in the field of generative artificial intelligence. In this work, we report on an application of GANs in the domain of synthetic spectral data…

Spatio-temporal (ST) data for urban applications, such as taxi demand, traffic flow, regional rainfall is inherently stochastic and unpredictable. Recently, deep learning based ST prediction models are proposed to learn the ST…

Machine Learning · Computer Science 2021-06-01 Divya Saxena , Jiannong Cao

Several dihedral angles prediction methods were developed for protein structure prediction and their other applications. However, distribution of predicted angles would not be similar to that of real angles. To address this we employed…

Biomolecules · Quantitative Biology 2018-03-30 Hyeongki Kim

Generative Adversarial Networks (GANs) have been extremely successful in various application domains such as computer vision, medicine, and natural language processing. Moreover, transforming an object or person to a desired shape become a…

Computer Vision and Pattern Recognition · Computer Science 2020-12-29 Pourya Shamsolmoali , Masoumeh Zareapoor , Eric Granger , Huiyu Zhou , Ruili Wang , M. Emre Celebi , Jie Yang

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. Quickly generating and predicting inorganic crystal structures is important for…

Materials Science · Physics 2024-02-13 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

Generative Adversarial Networks (GANs) have shown impressive results in various image synthesis tasks. Vast studies have demonstrated that GANs are more powerful in feature and expression learning compared to other generative models and…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Omar De Mitri , Ruyu Wang , Marco F. Huber

Adversarial examples are data points misclassified by neural networks. Originally, adversarial examples were limited to adding small perturbations to a given image. Recent work introduced the generalized concept of unrestricted adversarial…

Machine Learning · Computer Science 2020-05-20 Martin Kotuliak , Sandro E. Schoenborn , Andrei Dan

Generative Adversarial Networks (GAN) have greatly influenced the development of computer vision and artificial intelligence in the past decade and also connected art and machine intelligence together. This book begins with a detailed…

Generative adversarial networks (GANs) with clustered latent spaces can perform conditional generation in a completely unsupervised manner. In the real world, the salient attributes of unlabeled data can be imbalanced. However, most of…

Machine Learning · Computer Science 2022-03-16 Uiwon Hwang , Heeseung Kim , Dahuin Jung , Hyemi Jang , Hyungyu Lee , Sungroh Yoon

Generative adversarial networks (GANs) have proven hugely successful in variety of applications of image processing. However, generative adversarial networks for handwriting is relatively rare somehow because of difficulty of handling…

Machine Learning · Computer Science 2020-02-28 Bo Ji , Tianyi Chen

Generative adversarial networks (GANs) can be trained to generate 3D image data, which is useful for design optimisation. However, this conventionally requires 3D training data, which is challenging to obtain. 2D imaging techniques tend to…

Computer Vision and Pattern Recognition · Computer Science 2024-08-07 Steve Kench , Samuel J. Cooper

Linear modal analysis is a useful and effective tool for the design and analysis of structures. However, a comprehensive basis for nonlinear modal analysis remains to be developed. In the current work, a machine learning scheme is proposed…

Machine Learning · Computer Science 2022-03-03 G. Tsialiamanis , M. D. Champneys , N. Dervilis , D. J. Wagg , K. Worden

The key challenge in advancing multivalent-ion batteries lies in finding suitable intercalation hosts. Open-tunnel oxides, featuring one-dimensional channels or nanopores, show promise for enabling effective ion transport. However, the vast…

Materials Science · Physics 2024-10-10 Joy Datta , Dibakar Datta , Amruth Nadimpally , Nikhil Koratkar

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

Many large-scale knowledge graphs are now available and ready to provide semantically structured information that is regarded as an important resource for question answering and decision support tasks. However, they are built on rigid…

Computation and Language · Computer Science 2020-04-17 Jiehang Zeng , Lu Liu , Xiaoqing Zheng

In this paper, we propose a generative model, Temporal Generative Adversarial Nets (TGAN), which can learn a semantic representation of unlabeled videos, and is capable of generating videos. Unlike existing Generative Adversarial Nets…

Machine Learning · Computer Science 2017-08-21 Masaki Saito , Eiichi Matsumoto , Shunta Saito

Generative Adversarial Networks (GANs) represent a promising class of generative networks that combine neural networks with game theory. From generating realistic images and videos to assisting musical creation, GANs are transforming many…

Machine Learning · Computer Science 2017-12-04 Alexandre Yahi , Rami Vanguri , Noémie Elhadad , Nicholas P. Tatonetti

In molecular research, the modelling and analysis of molecules through simulation is an important part that has a direct influence on medical development, material science and drug discovery. The processing power required to design protein…

Quantum Physics · Physics 2026-03-24 Prateek Jain , Param Pathak , Krishna Bhatia , Shalini Devendrababu , Srinjoy Ganguly