Search Results for author: Arindam Paul

Found 5 papers, 3 papers with code

A real-time iterative machine learning approach for temperature profile prediction in additive manufacturing processes

no code implementations28 Jul 2019 Arindam Paul, Mojtaba Mozaffar, Zijiang Yang, Wei-keng Liao, Alok Choudhary, Jian Cao, Ankit Agrawal

As the process for creating an intricate part for an expensive metal such as Titanium is prohibitive with respect to cost, computational models are used to simulate the behavior of AM processes before the experimental run.

BIG-bench Machine Learning

Transfer Learning Using Ensemble Neural Networks for Organic Solar Cell Screening

1 code implementation7 Mar 2019 Arindam Paul, Dipendra Jha, Reda Al-Bahrani, Wei-keng Liao, Alok Choudhary, Ankit Agrawal

In this work, we present an ensemble deep neural network architecture, called SINet, which harnesses both the SMILES and InChI molecular representations to predict HOMO values and leverage the potential of transfer learning from a sizeable DFT-computed dataset- Harvard CEP to build more robust predictive models for relatively smaller HOPV datasets.

BIG-bench Machine Learning Transfer Learning

CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations

3 code implementations14 Nov 2018 Arindam Paul, Dipendra Jha, Reda Al-Bahrani, Wei-keng Liao, Alok Choudhary, Ankit Agrawal

SMILES is a linear representation of chemical structures which encodes the connection table, and the stereochemistry of a molecule as a line of text with a grammar structure denoting atoms, bonds, rings and chains, and this information can be used to predict chemical properties.

Clustering Drug Discovery

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