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Deep generative models, such as generative adversarial networks (GANs), have been employed for $de~novo$ molecular generation in drug discovery. Most prior studies have utilized reinforcement learning (RL) algorithms, particularly Monte…

Biomolecules · Quantitative Biology 2025-09-09 Huidong Tang , Chen Li , Sayaka Kamei , Yoshihiro Yamanishi , Yasuhiko Morimoto

One of the most significant challenges in statistical signal processing and machine learning is how to obtain a generative model that can produce samples of large-scale data distribution, such as images and speeches. Generative Adversarial…

Computer Vision and Pattern Recognition · Computer Science 2020-05-28 Pegah Salehi , Abdolah Chalechale , Maryam Taghizadeh

The growing demand for molecules with tailored properties in fields such as drug discovery and chemical engineering has driven advancements in computational methods for molecular design. Machine learning-based approaches for de-novo…

Machine Learning · Computer Science 2025-04-29 Nandan Joshi , Erhan Guven

Auto-encoding generative adversarial networks (GANs) combine the standard GAN algorithm, which discriminates between real and model-generated data, with a reconstruction loss given by an auto-encoder. Such models aim to prevent mode…

Machine Learning · Statistics 2017-10-24 Mihaela Rosca , Balaji Lakshminarayanan , David Warde-Farley , Shakir Mohamed

Generative adversarial networks (GANs) are capable of producing high quality image samples. However, unlike variational autoencoders (VAEs), GANs lack encoders that provide the inverse mapping for the generators, i.e., encode images back to…

Machine Learning · Statistics 2018-12-20 Paul K. Rubenstein , Yunpeng Li , Dominik Roblek

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

In recent years, Generative Adversarial Networks (GANs) have become a hot topic among researchers and engineers that work with deep learning. It has been a ground-breaking technique which can generate new pieces of content of data in a…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Parthak Mehta , Sarthak Mishra , Nikhil Chouhan , Neel Pethani , Ishani Saha

Recent advances in deep learning have accelerated its use in various applications, such as cellular image analysis and molecular discovery. In molecular discovery, a generative adversarial network (GAN), which comprises a discriminator to…

Machine Learning · Computer Science 2023-04-13 Daniel Manu , Jingjing Yao , Wuji Liu , Xiang Sun

Generative adversarial networks (GANs) have an enormous potential impact on digital content creation, e.g., photo-realistic digital avatars, semantic content editing, and quality enhancement of speech and images. However, the performance of…

Artificial Intelligence · Computer Science 2021-09-01 Pavel Andreev , Alexander Fritzler , Dmitry Vetrov

Generative Adversarial Networks (GAN) is a model for data synthesis, which creates plausible data through the competition of generator and discriminator. Although GAN application to image synthesis is extensively studied, it has inherent…

Computation and Language · Computer Science 2025-01-07 Jun-Min Lee , Tae-Bin Ha

Generative adversarial networks (GANs) are a powerful framework for generative tasks. However, they are difficult to train and tend to miss modes of the true data generation process. Although GANs can learn a rich representation of the…

Machine Learning · Computer Science 2017-11-27 Robin Winter , Djork-Arné Clevert

Generating images via the generative adversarial network (GAN) has attracted much attention recently. However, most of the existing GAN-based methods can only produce low-resolution images of limited quality. Directly generating…

Computer Vision and Pattern Recognition · Computer Science 2019-04-01 Yong Guo , Qi Chen , Jian Chen , Qingyao Wu , Qinfeng Shi , Mingkui Tan

Generative adversarial networks (GANs) have great successes on synthesizing data. However, the existing GANs restrict the discriminator to be a binary classifier, and thus limit their learning capacity for tasks that need to synthesize…

Computation and Language · Computer Science 2018-04-17 Kevin Lin , Dianqi Li , Xiaodong He , Zhengyou Zhang , Ming-Ting Sun

De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and it has a low probability of success. Recent advances in…

As a new way of training generative models, Generative Adversarial Nets (GAN) that uses a discriminative model to guide the training of the generative model has enjoyed considerable success in generating real-valued data. However, it has…

Machine Learning · Computer Science 2017-08-28 Lantao Yu , Weinan Zhang , Jun Wang , Yong Yu

The decoder-based machine learning generative algorithms such as Generative Adversarial Networks (GAN), Variational Auto-Encoders (VAE), Transformers show impressive results when constructing objects similar to those in a training ensemble.…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Gabriel Turinici

Pre-trained models have achieved remarkable success in natural language processing (NLP). However, existing pre-training methods underutilize the benefits of language understanding for generation. Inspired by the idea of Generative…

Computation and Language · Computer Science 2023-05-10 Jian Yang , Shuming Ma , Li Dong , Shaohan Huang , Haoyang Huang , Yuwei Yin , Dongdong Zhang , Liqun Yang , Furu Wei , Zhoujun Li

Modern machine learning techniques, such as deep neural networks, are transforming many disciplines ranging from image recognition to language understanding, by uncovering patterns in big data and making accurate predictions. They have also…

Machine Learning · Computer Science 2021-03-11 Amin Heyrani Nobari , Muhammad Fathy Rashad , Faez Ahmed

Generative Adversarial Networks (GANs) have gained a lot of attention from machine learning community due to their ability to learn and mimic an input data distribution. GANs consist of a discriminator and a generator working in tandem…

Computation and Language · Computer Science 2018-06-19 Saurabh Sahu , Rahul Gupta , Carol Espy-Wilson

Generative adversarial networks are generative models that are capable of replicating the implicit probability distribution of the input data with high accuracy. Traditionally, GANs consist of a Generator and a Discriminator which interact…

Machine Learning · Computer Science 2022-11-15 Xin Wang
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