Vincenzo Lordi

16 papers B 1Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data.
J. Chem. Inf. Model.
Benjamin R. Laubach, Vincenzo Lordi, Rebecca K. Lindsey
2026 J jnl
Unsupervised atomic data mining via multi-kernel graph autoencoders for machine learning force fields.
Mach. Learn. Sci. Technol.
Hong Sun, Joshua A. Vita, Amit Samanta, Vincenzo Lordi
2025 J jnl
A probabilistic foundation model for crystal structure denoising, phase classification, and order parameters.
CoRR
Hyuna Kwon, Babak Sadigh, Sébastien Hamel, Vincenzo Lordi, John E. Klepeis, Fei Zhou
2025 J jnl
Composable and adaptive design of machine learning interatomic potentials guided by Fisher-information analysis.
CoRR
Weishi Wang, Mark K. Transtrum, Vincenzo Lordi, Vasily V. Bulatov, Amit Samanta
2025 J jnl
LTAU-FF: Loss Trajectory Analysis for Uncertainty in atomistic Force Fields.
Mach. Learn. Sci. Technol.
Joshua A. Vita, Amit Samanta, Fei Zhou, Vincenzo Lordi
2025 J jnl
Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory.
CoRR
Benjamin Yu, Vincenzo Lordi, Daniel Schwalbe-Koda
2025 J jnl
Unsupervised Atomic Data Mining via Multi-Kernel Graph Autoencoders for Machine Learning Force Fields.
CoRR
Hong Sun, Joshua A. Vita, Amit Samanta, Vincenzo Lordi
2024 J jnl
An information-matching approach to optimal experimental design and active learning.
CoRR
Yonatan Kurniawan, Tracianne B. Neilsen, Benjamin L. Francis, Alex M. Stankovic, Mingjian Wen, Ilia A. Nikiforov, Ellad B. Tadmor, Vasily V. Bulatov, Vincenzo Lordi, Mark K. Transtrum
2024 J jnl
Grand canonical generative diffusion model for crystalline phases and grain boundaries.
CoRR
Bo Lei, Enze Chen, Hyuna Kwon, Tim Hsu, Babak Sadigh, Vincenzo Lordi, Timofey Frolov, Fei Zhou
2024 J jnl
Ice Phase Classification Made Easy with Score-Based Denoising.
J. Chem. Inf. Model.
Hong Sun, Sébastien Hamel, Tim Hsu, Babak Sadigh, Vincenzo Lordi, Fei Zhou
2024 J jnl
Information theory unifies atomistic machine learning, uncertainty quantification, and materials thermodynamics.
CoRR
Daniel Schwalbe-Koda, Sébastien Hamel, Babak Sadigh, Fei Zhou, Vincenzo Lordi
2024 J jnl
LTAU-FF: Loss Trajectory Analysis for Uncertainty in Atomistic Force Fields.
CoRR
Joshua A. Vita, Amit Samanta, Fei Zhou, Vincenzo Lordi
2024 J jnl
Spectroscopy-guided discovery of three-dimensional structures of disordered materials with diffusion models.
Mach. Learn. Sci. Technol.
Hyuna Kwon, Tim Hsu, Wenyu Sun, Wonseok Jeong, Fikret Aydin, James Chapman, Xiao Chen, Vincenzo Lordi, Matthew R. Carbone, Deyu Lu, Fei Zhou, Tuan Anh Pham
2024 — conf
Towards MatCore: A Unified Metadata Standard for Materials Science.
MTSR
Jane Greenberg, Pámela Bóveda-Aguirre, John Allison, Pietro Asinari, Maria Chan, Anand Chandrasekaran, Elif Ertekin, Emmanouel Garoufallou, Giulia Galli, Paolo Giannozzi, Feliciano Giustino, Gerhard Goldbeck, Hendrik Heinz, Arthi Jayaraman, Vincenzo Lordi, Kristin A. Persson, Gian-Marco Rignanese, Aidan Thompson, Eric Toberer, Scott McClellan, Ellad B. Tadmor
2018 J jnl
TopoMS: Comprehensive topological exploration for molecular and condensed-matter systems.
J. Comput. Chem.
Harsh Bhatia, Attila Gyulassy, Vincenzo Lordi, John E. Pask, Valerio Pascucci, Peer-Timo Bremer
2016 B conf
Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties.
PacificVis
Harsh Bhatia, Attila Gyulassy, Valerio Pascucci, Martina Bremer, Mitchell T. Ong, Vincenzo Lordi, Erik W. Draeger, John E. Pask, Peer-Timo Bremer