Subject: Chemistry And Materials Science, Theoretical Chemistry Keywords: theory; simulation; computational power; epochs, science history
Online: 17 January 2020 (10:25:26 CET)
History is often thought to be dull and boring – where large numbers of facts are memorized for passing exams. But the past informs the present and future, especially in delineating the context surrounding specific events that, in turn, help provide a deeper understanding of their causes and implications. Scientific progress (whether incremental or breakthroughs) is built upon prior work. Chronological examination of computational chemistry’s evolution reveals the existence of major “epochs” (e.g., transition from semi-empirical methods to first principles calculations), and the centrality of key ideas (e.g., Schrodinger equation and Born Oppenheimer approximation) in potentiating progress in the field. The longstanding question of whether computing power (both capacity and speed) or theoretical insights play a more important role in advancing computational chemistry was examined by taking into account the field’s development holistically. Specifically, availability of large amount of computing power at declining cost, and advent of graphics processing unit (GPU) powered parallel computing are enabling tools for solving hitherto intractable problems. On the other hand, this essay argues (using Born Oppenheimer approximation as an example) that theoretical insights’ role in unlocking problems through simple (but insightful) assumptions is often overlooked. Collectively, the essay should be useful as a primer for appreciating major development periods in computational chemistry, from which counterfactual questions illuminate the relative importance of theoretical insights and advances in computer science in moving the field forward.
ARTICLE | doi:10.20944/preprints201903.0039.v2
Subject: Engineering, Control And Systems Engineering Keywords: Handwritten digit recognition; Convolutional Neural Network (CNN); Deep learning; MNIST dataset; Epochs; Hidden Layers; Stochastic Gradient Descent; Backpropagation
Online: 20 September 2019 (10:12:26 CEST)
In recent times, with the increase of Artificial Neural Network (ANN), deep learning has brought a dramatic twist in the field of machine learning by making it more Artificial Intelligence (AI). Deep learning is used remarkably used in vast ranges of fields because of its diverse range of applications such as surveillance, health, medicine, sports, robotics, drones etc. In deep learning, Convolutional Neural Network (CNN) is at the center of spectacular advances that mixes Artificial Neural Network (ANN) and up to date deep learning strategies. It has been used broadly in pattern recognition, sentence classification, speech recognition, face recognition, text categorization, document analysis, scene, and handwritten digit recognition. The goal of this paper is to observe the variation of accuracies of CNN to classify handwritten digits using various numbers of hidden layer and epochs and to make the comparison between the accuracies. For this performance evaluation of CNN, we performed our experiment using Modified National Institute of Standards and Technology (MNIST) dataset. Further, the network is trained using stochastic gradient descent and the backpropagation algorithm.