1 code implementation • 8 Nov 2022 • Dipendra Jha, K. V. L. V. Narayanachari, Ruifeng Zhang, Justin Liao, Denis T. Keane, Wei-keng Liao, Alok Choudhary, Yip-Wah Chung, Michael Bedzyk, Ankit Agrawal
Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification.
1 code implementation • 26 Jan 2021 • Zijiang Yang, Dipendra Jha, Arindam Paul, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
Microstructural materials design is one of the most important applications of inverse modeling in materials science.
no code implementations • 28 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.
2 code implementations • 7 Jul 2019 • Dipendra Jha, Logan Ward, Zijiang Yang, Christopher Wolverton, Ian Foster, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
We use the problem of learning properties of inorganic materials from numerical attributes derived from material composition and/or crystal structure to compare IRNet's performance against that of other machine learning techniques.
1 code implementation • 7 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.
3 code implementations • 14 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.
1 code implementation • 26 Aug 2018 • Xiaolin Li, Zijiang Yang, L. Catherine Brinson, Alok Choudhary, Ankit Agrawal, Wei Chen
Due to the special design of the network architecture, the proposed methodology is able to identify the latent (design) variables with desired dimensionality, as well as capturing complex material microstructural characteristics.
no code implementations • 20 Jun 2016 • Siddharth Gupta, Diana Palsetia, Md. Mostofa Ali Patwary, Ankit Agrawal, Alok Choudhary
In the second phase, we assign the final labels to the pixels.
no code implementations • ICCV 2015 • Yu Cheng, Felix X. Yu, Rogerio S. Feris, Sanjiv Kumar, Alok Choudhary, Shih-Fu Chang
We explore the redundancy of parameters in deep neural networks by replacing the conventional linear projection in fully-connected layers with the circulant projection.
no code implementations • CVPR 2014 • Yu Cheng, Quanfu Fan, Sharath Pankanti, Alok Choudhary
Based on this idea, we represent a video by a sequence of visual words learnt from the video, and apply the Sequence Memoizer [21] to capture long-range dependencies in a temporal context in the visual sequence.