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Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Machine Learning · Computer Science 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

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

In recent years, graph neural networks (GNNs) have been widely applied in tackling combinatorial optimization problems. However, existing methods still suffer from limited accuracy when addressing that on complex graphs and exhibit poor…

Machine Learning · Computer Science 2025-11-13 Yuyao Long

Generative methods have recently seen significant improvements by generating in a lower-dimensional latent representation of the data. However, many of the generative methods applied in the latent space remain complex and difficult to…

Machine Learning · Computer Science 2025-01-22 Alona Levy-Jurgenson , Zohar Yakhini

The choice of parameters, and the design of the network architecture are important factors affecting the performance of deep neural networks. Genetic Algorithms (GA) have been used before to determine parameters of a network. Yet, GAs…

Computer Vision and Pattern Recognition · Computer Science 2018-09-28 Yantao Lu , Burak Kakillioglu , Senem Velipasalar

We propose a new approach to train the Generative Adversarial Nets (GANs) with a mixture of generators to overcome the mode collapsing problem. The main intuition is to employ multiple generators, instead of using a single one as in the…

Machine Learning · Computer Science 2017-10-31 Quan Hoang , Tu Dinh Nguyen , Trung Le , Dinh Phung

Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

The single-layer feedforward neural network with random weights is a recurring motif in the neural networks literature. The advantage of these networks is their simplified training, which reduces to solving a ridge-regression problem. A…

Machine Learning · Computer Science 2025-02-25 M. Andrecut

Gated networks are networks that contain gating connections, in which the outputs of at least two neurons are multiplied. Initially, gated networks were used to learn relationships between two input sources, such as pixels from two images.…

Machine Learning · Computer Science 2015-12-11 Olivier Sigaud , Clément Masson , David Filliat , Freek Stulp

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

In recent times, many of the breakthroughs in various vision-related tasks have revolved around improving learning of deep models; these methods have ranged from network architectural improvements such as Residual Networks, to various forms…

Machine Learning · Statistics 2018-05-15 Yan Zuo , Gil Avraham , Tom Drummond

Learning, taking into account full distribution of the data, referred to as generative, is not feasible with deep neural networks (DNNs) because they model only the conditional distribution of the outputs given the inputs. Current solutions…

Machine Learning · Computer Science 2017-09-26 Boris Flach , Alexander Shekhovtsov , Ondrej Fikar

We propose a genetic algorithm (GA) for hyperparameter optimization of artificial neural networks which includes chromosomal crossover as well as a decoupling of parameters (i.e., weights and biases) from hyperparameters (e.g., learning…

Neural and Evolutionary Computing · Computer Science 2019-01-15 Aaron Vose , Jacob Balma , Alex Heye , Alessandro Rigazzi , Charles Siegel , Diana Moise , Benjamin Robbins , Rangan Sukumar

End-to-end training with global optimization have popularized graph neural networks (GNNs) for node classification, yet inadvertently introduced vulnerabilities to adversarial edge-perturbing attacks. Adversaries can exploit the inherent…

Machine Learning · Computer Science 2024-12-12 Ao Liu , Wenshan Li , Tao Li , Beibei Li , Guangquan Xu , Pan Zhou , Wengang Ma , Hanyuan Huang

Understanding the asymptotic behavior of gradient-descent training of deep neural networks is essential for revealing inductive biases and improving network performance. We derive the infinite-time training limit of a mathematically…

Machine Learning · Statistics 2022-02-08 Samuel Lippl , L. F. Abbott , SueYeon Chung

Generative neural networks are able to mimic intricate probability distributions such as those of handwritten text, natural images, etc. Since their inception several models were proposed. The most successful of these were based on…

Machine Learning · Computer Science 2024-09-18 Daniel N. Nissani

Generative adversarial networks (GANs) are successful deep generative models. GANs are based on a two-player minimax game. However, the objective function derived in the original motivation is changed to obtain stronger gradients when…

Machine Learning · Statistics 2016-11-10 Masatoshi Uehara , Issei Sato , Masahiro Suzuki , Kotaro Nakayama , Yutaka Matsuo

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Generative adversarial networks (GANs) are one powerful type of deep learning models that have been successfully utilized in numerous fields. They belong to a broader family called generative methods, which generate new data with a…

Generative Adversarial Networks (GANs) is a novel class of deep generative models which has recently gained significant attention. GANs learns complex and high-dimensional distributions implicitly over images, audio, and data. However,…

Machine Learning · Computer Science 2023-04-06 Divya Saxena , Jiannong Cao