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.
no code implementations • 28 Mar 2021 • Sophia Abraham, Zachariah Carmichael, Sreya Banerjee, Rosaura VidalMata, Ankit Agrawal, Md Nafee Al Islam, Walter Scheirer, Jane Cleland-Huang
Computer vision approaches are widely used by autonomous robotic systems to sense the world around them and to guide their decision making as they perform diverse tasks such as collision avoidance, search and rescue, and object manipulation.
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 • 6 Dec 2020 • Akshay Joshi, Ankit Agrawal, Sushmita Nair
The artistic style of a painting is a rich descriptor that reveals both visual and deep intrinsic knowledge about how an artist uniquely portrays and expresses their creative vision.
no code implementations • 22 Sep 2020 • Ankit Agrawal, Jan-Philipp Steghofer, Jane Cleland-Huang
We introduce the meta-model and the requirements elicitation process with examples drawn from a search-and-rescue mission in which multiple UAVs collaborate with humans to respond to the emergency.
Software Engineering Human-Computer Interaction
2 code implementations • 3 Jul 2020 • Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei V. Kalinin, Bobby G. Sumpter, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe, Francesca Tavazza
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques.
Materials Science Computational Physics
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.
no code implementations • 25 Dec 2018 • Stephen L. Gibbs, Corey M. Staller, Ankit Agrawal, Robert W. Johns, Camila A. Saez Cabezas, Delia J. Milliron
It captures individual NC optical properties and their contributions to the ensemble spectra thereby enabling the analysis of intrinsic NC properties from an ensemble measurement.
Optics Mesoscale and Nanoscale Physics
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 • 4 Aug 2015 • Ankit Agrawal
The general objective of MCDA is to enable the DM to order all alternatives in order of the stated preferences, and choose the ones that are best, i. e., optimal with respect to the preferences over the criteria.