Publications

Jun 2026

Uncertainty quantification in machine learning models on synchrotron diffraction patterns

Ayorinde E Olatunde, Weiqi Yue, Gabriel Ponon, Donald W Brown, Roger H French, Pawan K Tripathi and Anirban Mondal
Published 8 June 2026 • © 2026 The Author(s). Published by IOP Publishing Ltd
DOI 10.1088/3049-4761/ae6f15

FAIRLinked: Data FAIRification Tools for Materials
Data Science

Van D. Tran, Brandon Lee, Ritika Lamba, Balashanmuga Priyan Rajamohan, Quynh D. Tran, Henry Dirks, Ozan Dernek
Laura S. Bruckman, Yinghui Wu 2,3, Erika I. Barcelos, & Roger
H. French
https://doi.org/10.21105/joss.09628
The Journal of Open Source Software

Apr 2026

Federated learning for 2D synchrotron x-ray diffractometry: a cross-institutional approach for phase quantification of Ti–6Al–4V alloy

Weiqi Yue, Qingzhe Guo, Redad Mehdi, Gabriel Ponon, Ozan Dernek, Ayorinde E Olatunde, Pawan K Tripathi, Bonnie Whitney, Anthony Spangenberger, Diana A Lados, Donald W Brown, Bjorn Clausen, Amit Samanta, Frank Ernst, Matthew A Willard, Erman Ayday and Roger H French
Published 7 April 2026 • © 2026 The Author(s). Published by IOP Publishing Ltd
Machine Learning: Science and TechnologyVolume 7Number 2Citation Weiqi Yue et al 2026 Mach. Learn.: Sci. Technol. 7 025048DOI 10.1088/2632-2153/ae55f8

Published: 01 Mar 2026

Mar 2026

Context Determines Optimal Architecture in Materials Segmentation

Mingjian Lu, Pawan Kumar Tripathi, Mark Shteyn, Debargha Ganguly, Roger H. French, Vipin Chaudhary, Vipin_Chaudhary2
,Yinghui Wu
Published: 01 Mar 2026
Context Determines Optimal Architecture in Materials Segmentation | OpenReview

Feb 2026

Hierarchical attention graph learning with LLM enhancement for molecular solubility prediction,

Y. Fan, Y. Wu, R. H. French, D. Perez, M. G. Taylor, and P. Yang, “Hierarchical attention graph learning with LLM enhancement for molecular solubility prediction,” Digital Discovery, vol. 5, no. 2, pp. 603–616, Feb. 2026, doi: 10.1039/D5DD00407A. [Online]. Available: https://pubs.rsc.org/en/content/articlelanding/2026/dd/d5dd00407a.

A global health crisis in young adults: 30-Year trends in high BMI-related early-onset cancer mortality,
Annals of Epidemiology

Rupayan Kundu, Rishabh Kundu, Sudipto Mukherjee (2026). Volume 114, 2026, Pages 7-11, ISSN 1047-2797,
https://doi.org/10.1016/j.annepidem.2025.12.006

Jan 2026

FAIRmaterials: Ontology Tools with Data FAIRification in Development

A. H. Bradley, J. E. Gordon, B. P. Rajamohan, V. D. Tran, N. Hahn, K. Lin, H. Caldwell, A. Nihar, Q. D. Tran, Y. Wu, L. S. Bruckman, E. I. Barcelos, and R. H. French, “FAIRmaterials: Ontology Tools with Data FAIRification in Development,” Journal of Open Source Software, vol. 11, no. 117, p. 7287, Jan. 2026, doi: 10.21105/joss.07287. [Online]. Available: https://joss.theoj.org/papers/10.21105/joss.07287.

Nov 2025

Computer Vision and Machine Learning Pipelines for Nucleation and Growth Studies of AlN from Metal Alloy Melts

T. G. Ciardi, P. K. Tripathi, Z. Ualikhankyzy, B. Pierce, T. Yamagata, S. Hamaya, M. Adachi, H. Fukuyama, and R. H. French, “Computer Vision and Machine Learning Pipelines for Nucleation and Growth Studies of AlN from Metal Alloy Melts,” IIS, vol. 31, no. 1, pp. 89–95, 2025, doi: 10.4036/iis.2025.A.09.

A Perspective on Synchrotron Data Science

O. Dernek, R. Mehdi, W. Yue, J. A. Bachman, F. R. Holt, G. O. Ponon, P. K. Tripathi, M. A. Willard, F. Ernst, and R. H. French, “A Perspective on Synchrotron Data Science,” IIS, vol. 31, no. 1, pp. 83–88, 2025, doi: 10.4036/iis.2025.A.08.

Designing Data-Centric Study Protocols Guided by FAIR Principles

Q. D. Tran, E. I. Barcelos, and L. S. Bruckman, “Designing Data-Centric Study Protocols Guided by FAIR Principles,” IIS, vol. 31, no. 1, pp. 75–82, 2025, doi: 10.4036/iis.2025.A.07

KROMA: Ontology Matching with Knowledge Retrieval and Large Language Models

Nguyen, L., Barcelos, E., French, R., & Wu, Y. (2025). KROMA: Ontology Matching with Knowledge Retrieval and Large Language Models. arXiv preprint arXiv:2507.14032. https://doi.org/10.48550/arXiv.2507.14032

Sep 2025

PQFed: A Privacy-Preserving Quality-Controlled Federated Learning Framework.

W. Yue, W. Li, Y. Jiang, A. Halimi, R. French, and E. Ayday, “PQFed: A Privacy-Preserving Quality-Controlled Federated Learning Framework.” arXiv, 25-Sept-2025 [Online]. Available: http://arxiv.org/abs/2509.21704.

July 2025

GeoOutageKG: A Multimodal Geospatiotemporal Knowledge Graph for Multiresolution Power Outage Analysis

Frakes, E., Wu, Y., French, R. H., & Li, M. (2025). GeoOutageKG: A Multimodal Geospatiotemporal Knowledge Graph for Multiresolution Power Outage Analysis. arXiv preprint arXiv:2507.22878. https://doi.org/10.48550/arXiv.2507.22878

april 2025

Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science

Rajamohan, B.P., Bradley, A.C.H., Tran, V.D. et al. Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science. Sci Data 12, 628 (2025). https://doi.org/10.1038/s41597-025-04938-5

fEBRUARY 2025

2D-diffractogram analysis: Kinematic-diffraction simulator for
neural-network training-data generation

Redad Mehdi, Rounak Chawla, Erika I. Barcelos, Matthew A. Willard, Roger H. French, Frank Ernst,
2D-diffractogram analysis: Kinematic-diffraction simulator for neural-network training-data generation,
Computational Materials Science,
Volume 252, 2025, 113777, ISSN 0927-0256
https://doi.org/10.1016/j.commatsci.2025.113777

JANUARY 2025

Automated Image Segmentation and Processing Pipeline Applied to X‐Ray Computed Tomography Studies of Pitting Corrosion in Aluminum Wires

M. S. Kalutotage, T. G. Ciardi, P. K. Tripathi, L. Huang, J. C. Jimenez, P. J. Noell, L. S. Bruckman, R. H. French, and A. Sehirlioglu, “Automated Image Segmentation and Processing Pipeline Applied to X‐Ray Computed Tomography Studies of Pitting Corrosion in Aluminum Wires,” Adv Eng Mater, vol. 27, no. 4, p. 2401699, Jan. 2025, doi: 10.1002/adem.202401699. [Online]. Available: https://onlinelibrary.wiley.com/doi/10.1002/adem.202401699

Geospatial modeling of near subsurface temperatures of the contiguous United States for assessment of materials degradation

Gordon, J.E., Akanbi, O.D., Bhuvanagiri, D.C. et al. Geospatial modeling of near subsurface temperatures of the contiguous United States for assessment of materials degradation. Sci Rep 15, 1053 (2025). https://doi.org/10.1038/s41598-024-85050-3

JULY 2024

Materials data science using CRADLE: A distributed, data-centric approach

Thomas G. Ciardi, Arafath Nihar, Rounak Chawla, Olatunde Akanbi, Pawan K. Tripathi, Y. Wu, V. Chaudhary, and R. H. French, “Materials data science using CRADLE: A distributed, data-centric approach,” MRS Communications, Jul. 2024, https://doi.org/10.1557/s43579-024-00616-6

L-PBF High-Throughput Data Pipeline Approach for Multi-modal Integration

K. J. Hernandez, T. G. Ciardi, R. Yamamoto, M. Lu, A. Nihar, J. C. Jimenez, P. K. Tripathi, B. Giera, J.-B. Forien, J. J. Lewandowski, R. H. French, and L. S. Bruckman, “L-PBF High-Throughput Data Pipeline Approach for Multi-modal Integration,” Integrating Materials and Manufacturing Innovation, Jul. 2024, https://doi.org/10.1007/s40192-024-00368-0

JUNE 2024

Image-Based Fracture Surface Defect Characterization Methods for Additively Manufactured Ti-6Al-4V Tested in Fatigue

A. Ngo, K. Hernandez, A. E. Olatunde, T. G. Ciardi, A. Harding, A. Nifar, A. Mondal, R. H. French, L. S. Bruckman, and J. J. Lewandowski, “Image-Based Fracture Surface Defect Characterization Methods for Additively Manufactured Ti-6Al-4V Tested in Fatigue,” JOM, Jun. 2024, https://doi.org/10.1007/s11837-024-06655-7

MAY 2024

Exploring 2D X-ray diffraction phase fraction analysis with convolutional neural networks: Insights from kinematic-diffraction simulations

W. Yue, M. R. Mehdi, P. K. Tripathi, M. A. Willard, F. Ernst, and R. H. French, “Exploring 2D X-ray diffraction phase fraction analysis with convolutional neural networks: Insights from kinematic-diffraction simulations,” MRS Advances, May 2024, https://doi.org/10.1557/s43580-024-00862-9

A Data Integration Framework of Additive Manufacturing Based on Fair Principles

Kristen J. Hernandez, Erika I. Barcelos, Jayvic C. Jimenez, Arafath Nihar, Pawan K. Tripathi, Brian Giera, Roger H. French, and Laura S. Bruckman, “A Data Integration Framework of Additive Manufacturing Based on Fair Principles,” MRS Advances, May 2024, https://doi.org/10.1557/s43580-024-00874-5

APRIL 2024

Towards a study protocol: A data-driven workflow to identify error sources in direct ink write mechatronics

H. H. Aung, J. C. Jimenez, B. Au, P. Caviness, R. Cerda, Q. D. Tran, P. Tripathi, B. Giera, R. H. French, and L. S. Bruckman, “Towards a study protocol: A data-driven workflow to identify error sources in direct ink write mechatronics,” MRS Advances, Apr. 2024, https://doi.org/10.1557/s43580-024-00846-9

MARCH 2024

Phase Identification in Synchrotron X-ray Diffraction Patterns of Ti–6Al–4V Using Computer Vision and Deep Learning

Yue, W., Tripathi, P.K., Ponon, G. et al. Phase Identification in Synchrotron X-ray Diffraction Patterns of Ti–6Al–4V Using Computer Vision and Deep Learning. Integrating Materials and Manufacturing Innovation 13, 36–52 (2024). https://doi.org/10.1007/s40192-023-00328-0

A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences

S. Nalin Venkat, T. G. Ciardi, M. Lu, P. C. DeLeo, J. Augustino, A. Goodman, J. C. Jimenez, A. Mondal, F. Ernst, C. A. Orme, Y. Wu, R. H. French, and L. S. Bruckman, “A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences,” Integrating Materials and Manufacturing Innovation, vol. 13, no. 1, pp. 71–82, Mar. 2024, https://doi.org/10.1007/s40192-024-00342-w

dECEMBER 2023

Accelerating Time to Science using CRADLE: A Framework for Materials Data Science

Arafath Nihar, Thomas Ciardi, Rounak Chawla, Olatunde D. Akanbi, Vipin Chaudhary, Yinghui Wu, and Roger H. French. “Accelerating Time to Science Using CRADLE: A Framework for Materials Data Science.” Goa, India: IEEE, 2023. https://doi.org/10.1109/HiPC58850.2023.00041.

Materials Data Science Using CRADLE: A Distributed, Data-centric Approach

Thomas G. Ciardi, Arafath Nihar, Rounak Chawla, Pawan K. Tripathi, Yinghui Wu, Vipin Chaudhary, and Roger H. French. “Materials Data Science Using CRADLE: A Distributed, Data-Centric Approach.” MRS Communications, December 11, 2023.

Image Processing Pipeline for Fluoroelastomer Crystallite Detection in Atomic Force Microscopy Images

Lu, Mingjian, Sameera Nalin Venkat, Jube Augustino, David Meshnick, Jayvic Cristian Jimenez, Pawan K. Tripathi, Arafath Nihar, et al. “Image Processing Pipeline for Fluoroelastomer Crystallite Detection in Atomic Force Microscopy Images.” Integrating Materials and Manufacturing Innovation 12, no. 4 (December 1, 2023): 371–85. https://doi.org/10.1007/s40192-023-00320-8.

Enhancing Scientific Image Classification through Multimodal Learning: Insights from Chest X-Ray and Atomic Force Microscopy Datasets

Meshnick, David C., Nahal Shahini, Debargha Ganguly, Yinghui Wu, Roger H. French, and Vipin Chaudhary. “Enhancing Scientific Image Classification through Multimodal Learning: Insights from Chest X-Ray and Atomic Force Microscopy Datasets.” In 2023 IEEE International Conference on Big Data (BigData), 2211–20, 2023. https://doi.org/10.1109/BigData59044.2023.10386478.

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