163,229 research outputs found

    Computational Optimizations for Machine Learning

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    The present book contains the 10 articles finally accepted for publication in the Special Issue “Computational Optimizations for Machine Learning” of the MDPI journal Mathematics, which cover a wide range of topics connected to the theory and applications of machine learning, neural networks and artificial intelligence. These topics include, among others, various types of machine learning classes, such as supervised, unsupervised and reinforcement learning, deep neural networks, convolutional neural networks, GANs, decision trees, linear regression, SVM, K-means clustering, Q-learning, temporal difference, deep adversarial networks and more. It is hoped that the book will be interesting and useful to those developing mathematical algorithms and applications in the domain of artificial intelligence and machine learning as well as for those having the appropriate mathematical background and willing to become familiar with recent advances of machine learning computational optimization mathematics, which has nowadays permeated into almost all sectors of human life and activity

    Advances in De Novo Drug Design : From Conventional to Machine Learning Methods

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    De novo drug design is a computational approach that generates novel molecular structures from atomic building blocks with no a priori relationships. Conventional methods include structure-based and ligand-based design, which depend on the properties of the active site of a biological target or its known active binders, respectively. Artificial intelligence, including ma-chine learning, is an emerging field that has positively impacted the drug discovery process. Deep reinforcement learning is a subdivision of machine learning that combines artificial neural networks with reinforcement-learning architectures. This method has successfully been em-ployed to develop novel de novo drug design approaches using a variety of artificial networks including recurrent neural networks, convolutional neural networks, generative adversarial networks, and autoencoders. This review article summarizes advances in de novo drug design, from conventional growth algorithms to advanced machine-learning methodologies and high-lights hot topics for further development.Peer reviewe

    If deep learning is the answer, then what is the question?

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    Neuroscience research is undergoing a minor revolution. Recent advances in machine learning and artificial intelligence (AI) research have opened up new ways of thinking about neural computation. Many researchers are excited by the possibility that deep neural networks may offer theories of perception, cognition and action for biological brains. This perspective has the potential to radically reshape our approach to understanding neural systems, because the computations performed by deep networks are learned from experience, not endowed by the researcher. If so, how can neuroscientists use deep networks to model and understand biological brains? What is the outlook for neuroscientists who seek to characterise computations or neural codes, or who wish to understand perception, attention, memory, and executive functions? In this Perspective, our goal is to offer a roadmap for systems neuroscience research in the age of deep learning. We discuss the conceptual and methodological challenges of comparing behaviour, learning dynamics, and neural representation in artificial and biological systems. We highlight new research questions that have emerged for neuroscience as a direct consequence of recent advances in machine learning.Comment: 4 Figures, 17 Page

    Neural Networks for Complex Data

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    Artificial neural networks are simple and efficient machine learning tools. Defined originally in the traditional setting of simple vector data, neural network models have evolved to address more and more difficulties of complex real world problems, ranging from time evolving data to sophisticated data structures such as graphs and functions. This paper summarizes advances on those themes from the last decade, with a focus on results obtained by members of the SAMM team of Universit\'e Paris
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