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Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Biomolecules · Quantitative Biology 2021-06-08 Yair Schiff , Vijil Chenthamarakshan , Karthikeyan Natesan Ramamurthy , Payel Das

We propose MAD-GAN, an intuitive generalization to the Generative Adversarial Networks (GANs) and its conditional variants to address the well known problem of mode collapse. First, MAD-GAN is a multi-agent GAN architecture incorporating…

Computer Vision and Pattern Recognition · Computer Science 2018-07-17 Arnab Ghosh , Viveka Kulharia , Vinay Namboodiri , Philip H. S. Torr , Puneet K. Dokania

To learn disentangled representations of facial images, we present a Dual Encoder-Decoder based Generative Adversarial Network (DED-GAN). In the proposed method, both the generator and discriminator are designed with deep encoder-decoder…

Computer Vision and Pattern Recognition · Computer Science 2019-09-20 Cong Hu , Zhen-Hua Feng , Xiao-Jun Wu , Josef Kittler

Machine learning has been used to detect new malware in recent years, while malware authors have strong motivation to attack such algorithms. Malware authors usually have no access to the detailed structures and parameters of the machine…

Machine Learning · Computer Science 2017-02-21 Weiwei Hu , Ying Tan

The Generative Adversarial Networks (GANs) have demonstrated impressive performance for data synthesis, and are now used in a wide range of computer vision tasks. In spite of this success, they gained a reputation for being difficult to…

Machine Learning · Statistics 2017-12-07 Tatjana Chavdarova , François Fleuret

One of the biggest challenges in the research of generative adversarial networks (GANs) is assessing the quality of generated samples and detecting various levels of mode collapse. In this work, we construct a novel measure of performance…

Machine Learning · Computer Science 2018-06-12 Valentin Khrulkov , Ivan Oseledets

Generative Adversarial Networks (GANs) have experienced a recent surge in popularity, performing competitively in a variety of tasks, especially in computer vision. However, GAN training has shown limited success in natural language…

Computation and Language · Computer Science 2019-01-03 David Donahue , Anna Rumshisky

Despite the dramatic success in image generation, Generative Adversarial Networks (GANs) still face great challenges in synthesizing sequences of discrete elements, in particular human language. The difficulty in generator training arises…

Computation and Language · Computer Science 2023-02-24 Yekun Chai , Qiyue Yin , Junge Zhang

Deep generative modeling to stochastically design small molecules is an emerging technology for accelerating drug discovery and development. However, one major issue in molecular generative models is their lower frequency of drug-like…

Identifying anomalies refers to detecting samples that do not resemble the training data distribution. Many generative models have been used to find anomalies, and among them, generative adversarial network (GAN)-based approaches are…

Machine Learning · Computer Science 2022-01-03 Laya Rafiee Sevyeri , Thomas Fevens

The computation of dynamical correlators of quantum many-body systems represents an open critical challenge in condensed matter physics. While powerful methodologies have risen in recent years, covering the full parameter space remains…

Strongly Correlated Electrons · Physics 2022-11-15 Rouven Koch , Jose L. Lado

Tuning curves characterizing the response selectivities of biological neurons often exhibit large degrees of irregularity and diversity across neurons. Theoretical network models that feature heterogeneous cell populations or random…

Quantitative Methods · Quantitative Biology 2017-07-20 Takafumi Arakaki , G. Barello , Yashar Ahmadian

Generative Adversarial Networks have surprising ability for generating sharp and realistic images, though they are known to suffer from the so-called mode collapse problem. In this paper, we propose a new GAN variant called Mixture Density…

Machine Learning · Computer Science 2018-11-30 Hamid Eghbal-zadeh , Werner Zellinger , Gerhard Widmer

De novo generation of hit-like molecules is a challenging task in the drug discovery process. Most methods in previous studies learn the semantics and syntax of molecular structures by analyzing molecular graphs or simplified molecular…

Machine Learning · Computer Science 2025-04-18 Chen Li , Yoshihiro Yamanishi

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

We propose a novel technique to make neural network robust to adversarial examples using a generative adversarial network. We alternately train both classifier and generator networks. The generator network generates an adversarial…

Machine Learning · Computer Science 2023-07-06 Hyeungill Lee , Sungyeob Han , Jungwoo Lee

We introduce the GANformer, a novel and efficient type of transformer, and explore it for the task of visual generative modeling. The network employs a bipartite structure that enables long-range interactions across the image, while…

Computer Vision and Pattern Recognition · Computer Science 2022-03-30 Drew A. Hudson , C. Lawrence Zitnick

Style transfer describes the rendering of an image semantic content as different artistic styles. Recently, generative adversarial networks (GANs) have emerged as an effective approach in style transfer by adversarially training the…

Computer Vision and Pattern Recognition · Computer Science 2019-04-10 Xinyuan Chen , Chang Xu , Xiaokang Yang , Li Song , Dacheng Tao

In this paper we investigate the feasibility of using synthetic data to augment face datasets. In particular, we propose a novel generative adversarial network (GAN) that can disentangle identity-related attributes from non-identity-related…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Daniel Sáez Trigueros , Li Meng , Margaret Hartnett

Generative adversarial networks (GANs) are a machine learning technique capable of producing high-quality synthetic images. In the field of materials science, when a crystallographic dataset includes inadequate or difficult-to-obtain…

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