ORGANIC (1).pdf

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Machine Learning ◽  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Inverse Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Inverse Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Inverse Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

PEMBUATAN GAMBAR SINTESIS DARI DEKSRIPSI TEKS DENGAN ALGORITMA GENERATIVE ADVERSARIAL NETWORK

2020 ◽  
Vol 2 (2) ◽  
pp. 111-114
Author(s):  
R Wisnu Prio Pamungkas ◽  
Rakhmi Khalida ◽  
Siti Setiawati
Keyword(s):  
Machine Learning ◽  
Image Synthesis ◽  
Generative Adversarial Networks ◽  
Human Intelligence ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks

ABSTRACT   Recently computers have been able to produce realistic photos from text. This is one of the potentials of machine learning to be used creatively. Machine learning is the field of solving problems that require an equivalent understanding of human intelligence. In this study using the Generative Adversarial Networks (GAN) algorithm is used to create images from text descriptions. The basic GAN architecture consists of 2 networks called a Generator and Discriminator network. The results of this study is images that are still not detailed in interpreting a text description, but the authors try to produce images that inspire, images can be more poetic when tried using poetry, lyrics, or book quotes. Keywords: GAN, Image Synthesis, Text Description   ABSTRAK   Baru-baru ini komputer mampu menghasilkan foto-foto yang realistis dari sebuah teks. Hal ini adalah salah satu potensi dari machine learning untuk digunakan secara kreatif. Machine learning adalah bidang menyelesaikan masalah-masalah yang membutuhkan pemahaman yang setara dengan kecerdasan manusia. Pada penelitian ini menggunakan algoritme Generative Adversarial Networks (GAN) digunakan untuk menciptakan gambar dari deskripsi teks. Dasar arsitektur GAN terdiri dari 2 jaringan yang disebut sebagai jaringan Generator dan Discriminator. Hasil dari penelitian ini berupa gambar yang masih tidak detail dalam memaknai sebuah deskripsi teks, tetapi penulis mencoba menghasilkan gambar yang menginspirasi, gambar dapat lebih puitis ketika dicoba menggunakan puisi, lirik, atau kutipan buku. Kata Kunci: GAN, Sintesis Gambar, Deskripsi Teks

scholarly journals Using Conditional Generative Adversarial Networks to Boost the Performance of Machine Learning in Microbiome Datasets

2020 ◽  
Author(s):  
Derek Reiman ◽  
Yang Dai
Keyword(s):  
Machine Learning ◽  
Data Augmentation ◽  
Side Information ◽  
Generative Adversarial Networks ◽  
Disease Prediction ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Original Dataset ◽  
Microbiome Data

AbstractThe microbiome of the human body has been shown to have profound effects on physiological regulation and disease pathogenesis. However, association analysis based on statistical modeling of microbiome data has continued to be a challenge due to inherent noise, complexity of the data, and high cost of collecting large number of samples. To address this challenge, we employed a deep learning framework to construct a data-driven simulation of microbiome data using a conditional generative adversarial network. Conditional generative adversarial networks train two models against each other while leveraging side information learn from a given dataset to compute larger simulated datasets that are representative of the original dataset. In our study, we used a cohorts of patients with inflammatory bowel disease to show that not only can the generative adversarial network generate samples representative of the original data based on multiple diversity metrics, but also that training machine learning models on the synthetic samples can improve disease prediction through data augmentation. In addition, we also show that the synthetic samples generated by this cohort can boost disease prediction of a different external cohort.

scholarly journals Restoring Raindrops Using Attentive Generative Adversarial Networks

2021 ◽  
Vol 11 (15) ◽  
pp. 7034
Author(s):  
Hee-Deok Yang
Keyword(s):  
Weather Conditions ◽  
Recurrent Network ◽  
Generative Adversarial Networks ◽  
Navigation Systems ◽  
Vision Systems ◽  
Generative Adversarial Network ◽  
Network Layers ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Outdoor Vision

Artificial intelligence technologies and vision systems are used in various devices, such as automotive navigation systems, object-tracking systems, and intelligent closed-circuit televisions. In particular, outdoor vision systems have been applied across numerous fields of analysis. Despite their widespread use, current systems work well under good weather conditions. They cannot account for inclement conditions, such as rain, fog, mist, and snow. Images captured under inclement conditions degrade the performance of vision systems. Vision systems need to detect, recognize, and remove noise because of rain, snow, and mist to boost the performance of the algorithms employed in image processing. Several studies have targeted the removal of noise resulting from inclement conditions. We focused on eliminating the effects of raindrops on images captured with outdoor vision systems in which the camera was exposed to rain. An attentive generative adversarial network (ATTGAN) was used to remove raindrops from the images. This network was composed of two parts: an attentive-recurrent network and a contextual autoencoder. The ATTGAN generated an attention map to detect rain droplets. A de-rained image was generated by increasing the number of attentive-recurrent network layers. We increased the number of visual attentive-recurrent network layers in order to prevent gradient sparsity so that the entire generation was more stable against the network without preventing the network from converging. The experimental results confirmed that the extended ATTGAN could effectively remove various types of raindrops from images.

scholarly journals Enhanced network optimized generative adversarial network for image enhancement

2021 ◽  
Author(s):  
Lingyu Yan ◽  
Jiarun Fu ◽  
Chunzhi Wang ◽  
Zhiwei Ye ◽  
Hongwei Chen ◽  
...  
Keyword(s):  
Image Enhancement ◽  
Image Recognition ◽  
Generative Adversarial Networks ◽  
Low Light ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Enhancement Method ◽  
New Space ◽  
Traditional Image

AbstractWith the development of image recognition technology, face, body shape, and other factors have been widely used as identification labels, which provide a lot of convenience for our daily life. However, image recognition has much higher requirements for image conditions than traditional identification methods like a password. Therefore, image enhancement plays an important role in the process of image analysis for images with noise, among which the image of low-light is the top priority of our research. In this paper, a low-light image enhancement method based on the enhanced network module optimized Generative Adversarial Networks(GAN) is proposed. The proposed method first applied the enhancement network to input the image into the generator to generate a similar image in the new space, Then constructed a loss function and minimized it to train the discriminator, which is used to compare the image generated by the generator with the real image. We implemented the proposed method on two image datasets (DPED, LOL), and compared it with both the traditional image enhancement method and the deep learning approach. Experiments showed that our proposed network enhanced images have higher PNSR and SSIM, the overall perception of relatively good quality, demonstrating the effectiveness of the method in the aspect of low illumination image enhancement.

scholarly journals Contrast agent dose reduction in computed tomography with deep learning using a conditional generative adversarial network

2021 ◽  
Author(s):  
Johannes Haubold ◽  
René Hosch ◽  
Lale Umutlu ◽  
Axel Wetter ◽  
Patrizia Haubold ◽  
...  
Keyword(s):  
Image Quality ◽  
Contrast Media ◽  
Animal Experiments ◽  
Turing Test ◽  
Dual Energy ◽  
Generative Adversarial Networks ◽  
Arterial Phase ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks

Abstract Objectives To reduce the dose of intravenous iodine-based contrast media (ICM) in CT through virtual contrast-enhanced images using generative adversarial networks. Methods Dual-energy CTs in the arterial phase of 85 patients were randomly split into an 80/20 train/test collective. Four different generative adversarial networks (GANs) based on image pairs, which comprised one image with virtually reduced ICM and the original full ICM CT slice, were trained, testing two input formats (2D and 2.5D) and two reduced ICM dose levels (−50% and −80%). The amount of intravenous ICM was reduced by creating virtual non-contrast series using dual-energy and adding the corresponding percentage of the iodine map. The evaluation was based on different scores (L1 loss, SSIM, PSNR, FID), which evaluate the image quality and similarity. Additionally, a visual Turing test (VTT) with three radiologists was used to assess the similarity and pathological consistency. Results The −80% models reach an SSIM of > 98%, PSNR of > 48, L1 of between 7.5 and 8, and an FID of between 1.6 and 1.7. In comparison, the −50% models reach a SSIM of > 99%, PSNR of > 51, L1 of between 6.0 and 6.1, and an FID between 0.8 and 0.95. For the crucial question of pathological consistency, only the 50% ICM reduction networks achieved 100% consistency, which is required for clinical use. Conclusions The required amount of ICM for CT can be reduced by 50% while maintaining image quality and diagnostic accuracy using GANs. Further phantom studies and animal experiments are required to confirm these initial results. Key Points • The amount of contrast media required for CT can be reduced by 50% using generative adversarial networks. • Not only the image quality but especially the pathological consistency must be evaluated to assess safety. • A too pronounced contrast media reduction could influence the pathological consistency in our collective at 80%.

Linear electromagnetic inverse scattering via generative adversarial networks

2021 ◽  
pp. 1-9
Author(s):  
Huilin Zhou ◽  
Huimin Zheng ◽  
Qiegen Liu ◽  
Jian Liu ◽  
Yuhao Wang
Keyword(s):  
Inverse Scattering ◽  
Optimization Methods ◽  
Training Data ◽  
Generative Adversarial Networks ◽  
Scattering Problems ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Highly Nonlinear ◽  
Electromagnetic Inverse Scattering

Abstract Electromagnetic inverse-scattering problems (ISPs) are concerned with determining the properties of an unknown object using measured scattered fields. ISPs are often highly nonlinear, causing the problem to be very difficult to address. In addition, the reconstruction images of different optimization methods are distorted which leads to inaccurate reconstruction results. To alleviate these issues, we propose a new linear model solution of generative adversarial network-based (LM-GAN) inspired by generative adversarial networks (GAN). Two sub-networks are trained alternately in the adversarial framework. A linear deep iterative network as a generative network captures the spatial distribution of the data, and a discriminative network estimates the probability of a sample from the training data. Numerical results validate that LM-GAN has admirable fidelity and accuracy when reconstructing complex scatterers.

Towards Accuracy Enhancement of Age Group Classification Using Generative Adversarial Networks

2021 ◽  
pp. 1-17
Author(s):  
Khaled ELKarazle ◽  
Valliappan Raman ◽  
Patrick Then
Keyword(s):  
Age Estimation ◽  
Super Resolution ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Original Dataset ◽  
Age Group Classification ◽  
Facial Images

Age estimation models can be employed in many applications, including soft biometrics, content access control, targeted advertising, and many more. However, as some facial images are taken in unrestrained conditions, the quality relegates, which results in the loss of several essential ageing features. This study investigates how introducing a new layer of data processing based on a super-resolution generative adversarial network (SRGAN) model can influence the accuracy of age estimation by enhancing the quality of both the training and testing samples. Additionally, we introduce a novel convolutional neural network (CNN) classifier to distinguish between several age classes. We train one of our classifiers on a reconstructed version of the original dataset and compare its performance with an identical classifier trained on the original version of the same dataset. Our findings reveal that the classifier which trains on the reconstructed dataset produces better classification accuracy, opening the door for more research into building data-centric machine learning systems.

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