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Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Hyperparameters tuning is a time-consuming approach, particularly when the architecture of the neural network is decided as part of this process. For instance, in convolutional neural networks (CNNs), the selection of the number and the…

Machine Learning · Computer Science 2020-07-31 Roberto L. Castro , Diego Andrade , Basilio Fraguela

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are…

Artificial Intelligence · Computer Science 2017-11-22 Oscar Li , Hao Liu , Chaofan Chen , Cynthia Rudin

Graph Neural Networks (GNNs) are becoming central in the study of time series, coupled with existing algorithms as Temporal Convolutional Networks and Recurrent Neural Networks. In this paper, we see time series themselves as directed…

Machine Learning · Computer Science 2023-10-05 Angelica Simonetti , Ferdinando Zanchetta

Using machine learning, we explore the utility of various deep neural networks (NN) when applied to high harmonic generation (HHG) scenarios. First, we train the NNs to predict the time-dependent dipole and spectra of HHG emission from…

Optics · Physics 2023-03-07 M. Lytova , M. Spanner , I. Tamblyn

Neural networks are capable of learning powerful representations of data, but they are susceptible to overfitting due to the number of parameters. This is particularly challenging in the domain of time series classification, where datasets…

Machine Learning · Computer Science 2022-01-28 Hong Yang , Travis Desell

The Black-Scholes model, defined under the assumption of a perfect financial market, theoretically creates a flawless hedging strategy allowing the trader to evade risks in a portfolio of options. However, the concept of a "perfect…

Computational Finance · Quantitative Finance 2021-12-21 Guijin Son , Joocheol Kim

Recurrent Neural Networks (RNNs) have long been recognized for their potential to model complex time series. However, it remains to be determined what optimization techniques and recurrent architectures can be used to best realize this…

Machine Learning · Statistics 2015-10-19 Ben Krause

The financial domain presents a complex environment for stock market prediction, characterized by volatile patterns and the influence of multifaceted data sources. Traditional models have leveraged either Convolutional Neural Networks (CNN)…

Statistical Finance · Quantitative Finance 2025-04-08 Arya Chakraborty , Auhona Basu

Sparse deep neural networks(DNNs) are efficient in both memory and compute when compared to dense DNNs. But due to irregularity in computation of sparse DNNs, their efficiencies are much lower than that of dense DNNs on regular parallel…

Machine Learning · Computer Science 2018-12-31 Dharma Teja Vooturi , Dheevatsa Mudigere , Sasikanth Avancha

Forecasting based on financial time-series is a challenging task since most real-world data exhibits nonstationary property and nonlinear dependencies. In addition, different data modalities often embed different nonlinear relationships…

Machine Learning · Computer Science 2019-03-19 Dat Thanh Tran , Juho Kanniainen , Moncef Gabbouj , Alexandros Iosifidis

Multivariate time series is prevalent in many scientific and industrial domains. Modeling multivariate signals is challenging due to their long-range temporal dependencies and intricate interactions--both direct and indirect. To confront…

Machine Learning · Computer Science 2023-12-01 Juhyeon Kim , Hyungeun Lee , Seungwon Yu , Ung Hwang , Wooyul Jung , Miseon Park , Kijung Yoon

Deep Neural Networks (DNNs) have already become a crucial computational approach to revealing the spatial patterns in the human brain; however, there are three major shortcomings in utilizing DNNs to detect the spatial patterns in…

Machine Learning · Computer Science 2022-05-26 Wei Zhang , Yu Bao

Deep learning (DL) in general and Recurrent neural networks (RNNs) in particular have seen high success levels in sequence based applications. This paper pertains to RNNs for time series modelling and forecasting. We propose a novel RNN…

Machine Learning · Computer Science 2022-07-12 Avinash Achar , Soumen Pachal

We propose a distributed approach to train deep neural networks (DNNs), which has guaranteed convergence theoretically and great scalability empirically: close to 6 times faster on instance of ImageNet data set when run with 6 machines. The…

Machine Learning · Statistics 2016-10-04 Abhimanu Kumar , Pengtao Xie , Junming Yin , Eric P. Xing

The prediction of stock and foreign exchange (Forex) had always been a hot and profitable area of study. Deep learning application had proven to yields better accuracy and return in the field of financial prediction and forecasting. In this…

Statistical Finance · Quantitative Finance 2021-03-18 Zexin Hu , Yiqi Zhao , Matloob Khushi

Current Deep Learning approaches have been very successful using convolutional neural networks (CNN) trained on large graphical processing units (GPU)-based computers. Three limitations of this approach are: 1) they are based on a simple…

Neural and Evolutionary Computing · Computer Science 2017-07-17 Thomas E. Potok , Catherine Schuman , Steven R. Young , Robert M. Patton , Federico Spedalieri , Jeremy Liu , Ke-Thia Yao , Garrett Rose , Gangotree Chakma

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Materials Science · Physics 2025-01-08 Hongwei Du , Jiamin Wang , Jian Hui , Lanting Zhang , Hong Wang

Highway deep neural network (HDNN) is a type of depth-gated feedforward neural network, which has shown to be easier to train with more hidden layers and also generalise better compared to conventional plain deep neural networks (DNNs).…

Computation and Language · Computer Science 2017-03-23 Liang Lu

Deep neural networks ( DNNs ) are becoming a key enabling technology for many application domains. However, on-device inference on battery-powered, resource-constrained embedding systems is often infeasible due to prohibitively long…

Machine Learning · Computer Science 2019-11-13 Vicent Sanz Marco , Ben Taylor , Zheng Wang , Yehia Elkhatib