相关论文: Deep Learning for Computational Chemistry

Overparameterized networks trained to convergence have shown impressive performance in domains such as computer vision and natural language processing. Pushing state of the art on salient tasks within these domains corresponds to these…

Neural machine learning methods, such as deep neural networks (DNN), have achieved remarkable success in a number of complex data processing tasks. These methods have arguably had their strongest impact on tasks such as image and audio…

Over the years, Machine Learning models have been successfully employed on neuroimaging data for accurately predicting brain age. Deviations from the healthy brain aging pattern are associated to the accelerated brain aging and brain…

Deep artificial neural networks are powerful tools with many possible applications in nanophotonics. Here, we demonstrate how a deep neural network can be used as a fast, general purpose predictor of the full near-field and far-field…

Machine learning plays a role in many aspects of modern IR systems, and deep learning is applied in all of them. The fast pace of modern-day research has given rise to many approaches to many IR problems. The amount of information available…

Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. However, in other domains, large datasets on which to learn…

Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…

The field of neuroscience is facing an unprecedented expanse in the volume and diversity of available data. Traditionally, network models have provided key insights into the structure and function of the brain. With the advent of big data…

Deep neural networks are becoming more and more popular due to their revolutionary success in diverse areas, such as computer vision, natural language processing, and speech recognition. However, the decision-making processes of these…

Deep Neural Networks (DNNs) are becoming an important tool in modern computing applications. Accelerating their training is a major challenge and techniques range from distributed algorithms to low-level circuit design. In this survey, we…

With the development of computer-assisted techniques, research communities including biochemistry and deep learning have been devoted into the drug discovery field for over a decade. Various applications of deep learning have drawn great…

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving…

Recent times are witnessing rapid development in machine learning algorithm systems, especially in reinforcement learning, natural language processing, computer and robot vision, image processing, speech, and emotional processing and…

Deep reinforcement learning is poised to revolutionise the field of AI and represents a step towards building autonomous systems with a higher level understanding of the visual world. Currently, deep learning is enabling reinforcement…

Deep Neural networks are efficient and flexible models that perform well for a variety of tasks such as image, speech recognition and natural language understanding. In particular, convolutional neural networks (CNN) generate a keen…

Machine learning, notably deep learning, has significantly propelled molecular investigations within the biochemical sphere. Traditionally, modeling for such research has centered around a handful of paradigms. For instance, the prediction…

Randomized Neural Networks explore the behavior of neural systems where the majority of connections are fixed, either in a stochastic or a deterministic fashion. Typical examples of such systems consist of multi-layered neural network…

Recently there has been a dramatic increase in the performance of recognition systems due to the introduction of deep architectures for representation learning and classification. However, the mathematical reasons for this success remain…

The deep convolutional neural network (DCNN) in computer vision has given promising results. It is widely applied in many areas, from medicine, agriculture, self-driving car, biometric system, and almost all computer vision-based…