Search Results for author: Wei-keng Liao

Found 8 papers, 5 papers with code

NuGraph2: A Graph Neural Network for Neutrino Physics Event Reconstruction

no code implementations18 Mar 2024 V Hewes, Adam Aurisano, Giuseppe Cerati, Jim Kowalkowski, Claire Lee, Wei-keng Liao, Daniel Grzenda, Kaushal Gumpula, Xiaohe Zhang

This article describes NuGraph2, a Graph Neural Network (GNN) for low-level reconstruction of simulated neutrino interactions in a LArTPC detector.

An Incremental Phase Mapping Approach for X-ray Diffraction Patterns using Binary Peak Representations

1 code implementation8 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.

Clustering X-Ray Diffraction (XRD)

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

IRNet: A General Purpose Deep Residual Regression Framework for Materials Discovery

2 code implementations7 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.

BIG-bench Machine Learning regression

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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