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Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Neural networks have emerged as a promising paradigm for quantum information processing, yet they confront the challenge of generating training datasets with sufficient size and rich diversity, which is particularly acute when dealing with…

Quantum Physics · Physics 2024-10-30 Xiaoting Gao , Mingsheng Tian , Feng-Xiao Sun , Ya-Dong Wu , Yu Xiang , Qiongyi He

It is argued that deep learning is efficient for data that is generated from hierarchal generative models. Examples of such generative models include wavelet scattering networks, functions of compositional structure, and deep rendering…

Machine Learning · Computer Science 2018-09-06 Elchanan Mossel

Tabular data, structured as rows and columns, is among the most prevalent data types in machine learning classification and regression applications. Models for learning from tabular data have continuously evolved, with Deep Neural Networks…

Machine Learning · Computer Science 2025-04-24 Jun-Peng Jiang , Si-Yang Liu , Hao-Run Cai , Qile Zhou , Han-Jia Ye

Quantum computers can efficiently sample from probability distributions that are believed to be classically intractable, providing a foundation for quantum generative modeling. However, practical training of such models remains challenging,…

Quantum Physics · Physics 2025-11-18 Maria Demidik , Cenk Tüysüz , Michele Grossi , Karl Jansen

Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot…

Machine Learning · Computer Science 2023-05-30 Chenyu Zheng , Guoqiang Wu , Chongxuan Li

We introduce the Generalized Energy Based Model (GEBM) for generative modelling. These models combine two trained components: a base distribution (generally an implicit model), which can learn the support of data with low intrinsic…

Machine Learning · Statistics 2021-12-22 Michael Arbel , Liang Zhou , Arthur Gretton

We propose a new encoder-decoder approach to learn distributed sentence representations that are applicable to multiple purposes. The model is learned by using a convolutional neural network as an encoder to map an input sentence into a…

Computation and Language · Computer Science 2017-07-28 Zhe Gan , Yunchen Pu , Ricardo Henao , Chunyuan Li , Xiaodong He , Lawrence Carin

Tensor networks are a popular and computationally efficient approach to simulate general quantum systems on classical computers and, in a broader sense, a framework for dealing with high-dimensional numerical problems. This paper presents a…

Quantum Physics · Physics 2024-12-30 Marcos Díez García , Antonio Márquez Romero

It is well known that building analytical performance models in practice is difficult because it requires a considerable degree of proficiency in the underlying mathematics. In this paper, we propose a machine-learning approach to derive…

Performance · Computer Science 2020-02-26 Giulio Garbi , Emilio Incerto , Mirco Tribastone

We introduce a tensor-based model of shared representation for meta-learning from a diverse set of tasks. Prior works on learning linear representations for meta-learning assume that there is a common shared representation across different…

Machine Learning · Computer Science 2022-01-20 Samuel Deng , Yilin Guo , Daniel Hsu , Debmalya Mandal

Recurrent neural networks (RNNs) are powerful tools for sequential modeling, but typically require significant overparameterization and regularization to achieve optimal performance. This leads to difficulties in the deployment of large…

Machine Learning · Computer Science 2021-11-11 Charles C. Onu , Jacob E. Miller , Doina Precup

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Generative flows models enjoy the properties of tractable exact likelihood and efficient sampling, which are composed of a sequence of invertible functions. In this paper, we incorporate matrix exponential into generative flows. Matrix…

Machine Learning · Computer Science 2020-07-21 Changyi Xiao , Ligang Liu

Deep neural networks currently demonstrate state-of-the-art performance in several domains. At the same time, models of this class are very demanding in terms of computational resources. In particular, a large amount of memory is required…

Machine Learning · Computer Science 2015-12-22 Alexander Novikov , Dmitry Podoprikhin , Anton Osokin , Dmitry Vetrov

In this work, we present tensor-based linear and nonlinear models for hyperspectral data classification and analysis. By exploiting principles of tensor algebra, we introduce new classification architectures, the weight parameters of which…

Computer Vision and Pattern Recognition · Computer Science 2018-12-26 Konstantinos Makantasis , Anastasios Doulamis , Nikolaos Doulamis , Antonis Nikitakis

Generative quantum machine learning models are trained to deduce the probability distribution underlying a given dataset, and to produce new, synthetic samples from it. The majority of such models proposed in the literature, like the…

Quantum Physics · Physics 2026-03-25 Michael Krebsbach , Florentin Reiter , Thomas Wellens , Hagen-Henrik Kowalski , Ali Abedi

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide new methods of…

Quantum Physics · Physics 2017-12-27 Maria Kieferova , Nathan Wiebe

Tensor network (TN), a young mathematical tool of high vitality and great potential, has been undergoing extremely rapid developments in the last two decades, gaining tremendous success in condensed matter physics, atomic physics, quantum…

Computational Physics · Physics 2020-01-31 Shi-Ju Ran , Emanuele Tirrito , Cheng Peng , Xi Chen , Luca Tagliacozzo , Gang Su , Maciej Lewenstein

We explore building generative neural network models of popular reinforcement learning environments. Our world model can be trained quickly in an unsupervised manner to learn a compressed spatial and temporal representation of the…

Machine Learning · Computer Science 2018-05-10 David Ha , Jürgen Schmidhuber
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