Detecting chaos in classical systems? Incomplete discrete choice models? The learnability of knot invariants? A selection of recent publications featuring research using the MGHPCC.
Abbott, Ryan et al (2025), Progress in Normalizing Flows for 4d Gauge Theories, arXiv: 2502.00263 [hep-lat]
Adams, Keir and Connor W. Coley (2025), The impact of conformer quality on learned representations of molecular conformer ensembles, arXiv: 2502.13220
Bagherian, Hengameh et al (2025), Confronting interacting radiation models for the Hubble tension with Lyman-𝛼 data, Physical Review D, doi: 10.1103/PhysRevD.111.043513
Belhadji, A. et al (2025), Weighted quantization using MMD: From mean field to mean shift via gradient flows, arXiv: 2502.10600 [stat.ML]
Bishoyi, S.D., Sabharwal, S. & Khanna, G. (2025), Numerical Evidence for Non-Axisymmetric Gravitational “Hair” for Extremal Kerr Black Hole Spacetimes with Hyperboloidal Foliations, Gen Relativ Gravit, doi: 10.1007/s10714-025-03378-1
Brower, Richard C. et al. (2025), Energy-momentum tensor in the 2D Ising CFT in full modular space, arXiv: 2502.00512 [hep-lat]
Chao, Pengning et al (2025), Sum-of-Squares Bounds on Surface-Enhanced Raman Scattering, arXiv: 2502.09821 [physics.optics]
Corbeski, Ivan et al (2025), The catalytic mechanism of the RNA methyltransferase METTL3, eLife, doi: 10.7554/eLife.92537.3
Cui, Qiang (2025), Machine learning in molecular biophysics: Protein allostery, multi-level free energy simulations, and lipid phase transitions, Biophysics Reviews, doi: 10.1063/5.0248589
Dolan, Sydney et al (2025), Asynchronous Cooperative Multi-agent Reinforcement Learning with Limited Communication, arXiv: 2502.00558 [cs.MA]
Fey, Nolan et al (2025), Bridging the Sim-to-Real Gap for Athletic Loco-Manipulation, arXiv:2502.10894 [cs.RO]
Fishera, B.T. et al (2025), Light-induced reorientation transition in an antiferromagnetic semiconductor, arXiv: 2502.00642 [cond-mat.mtrl-sci]
Joung, Joonyoung F. et al ( 2025), Electron flow matching for generative reaction mechanism prediction obeying conservation law, arXiv: 2502.12979 [cs.LG]
Kaido, Hiroaki Kaido and Yi Zhang (2025), Universal Inference for Incomplete Discrete Choice Models, arXiv: 2501.17973 [econ.EM]
Karve, Nachiket et al (2025), Adiabatic Gauge Potential as a Tool for Detecting Chaos in Classical Systems, arXiv: 2502.12046 [nlin.CD]
Koo, B.H. et al (2025), Utilization of Classification Learning Algorithms for Upper-Body Non-Cyclic Motion Prediction, Sensors, doi: 10.3390/s25051297
Le Roy, E.J., & Ummenhofer, C.C. (2025), Past and future modulation of the ENSO teleconnection to Southeast Asian Rainfall by interbasin interactions, Geophysical Research Letters, doi: 10.1029/2024GL111916
Li, Sibei et al (2025), Ground State of the 𝑆=1/2 Heisenberg Spin Chain with Random Ferromagnetic and Antiferromagnetic Couplings, Physical review letters, doi: 10.1103/PhysRevLett.134.086501
Li, Xuhang et al (2025), Enhanced flux potential analysis links changes inenzyme expression to metabolic flux, Molecular Systems Biology, doi: 10.1038/s44320-025-00090-9
Lindsay A. and F. Ruehle (2025), On the Learnability of Knot Invariants: Representation, Predictability, and Neural Similarity, arXiv: 2502.12243 [math.GT]
Mohammadzadeh, Saeed and Emma Lejeune (2025), Quantifying HIPSC-CM Structural Organization at Scale with Deep Learning-enhanced SARCGRAPH, arXiv: 2501.18714 [q-bio.QM]
Nevolianis, Thomas et al (2025), Solvation free energies of anions: from new reference data to predictive models, via ChemRxiv, doi: 10.26434/chemrxiv-2025-8bj2t-v2
Nickols, William A. et al (2025), Distinguishing new from persistent infections at the strain level using longitudinal genotyping data, via bioRxiv, doi: 10.1101/2025.02.06.636982
Pandya, Sneh et al (2025), SIDDA: SInkhorn Dynamic Domain Adaptation for Image Classification with Equivariant Neural Networks, arXiv: 2501.14048 [cs.LG]
Polking, Mark J. et al (2025), Strong long-wave infrared optical response in a topological semiconductor with a Mexican-hat band structure, Phys. Rev. B, doi: 10.1103/PhysRevB.111.085101
McDonald, Matthew A. et al (2025), Bayesian Optimization over Multiple Experimental Fidelities Accelerates Automated Discovery of Drug Molecules, ACS Central Sciences. doi: 10.1021/acscentsci.4c01991
Metzger, Kyle et al (2025), Anomaly preserving contrastive neural embeddings for end-to-end model-independent searches at the LHC, arXiv: 2502.15926 [hep-ex]
Muraca, M. et al (2025), Integrated Modeling of SPARC H-mode Scenarios: Exploration of the Impact of Modeling Assumptions on Predicted Performance, arXiv: 2502.00187 [physics.plasm-ph]
Russo, Alessio and Aldo Pacchiano (2025), Adaptive Exploration for Multi-Reward Multi-Policy Evaluation, arXiv: 2502.02516 [cs.LG]
Sokolov, Monja and Qiang Cui (2025), Impact of Fluctuations in the Peridinin-Chlorophyll a-Protein on the Energy Transfer: Insights from Classical and QM/MM Molecular Dynamics Simulations, Biochemistry, doi: 10.1021/acs.biochem.4c00568
Stopper Jr., Michael J. et al (2025), Isolation and Reactivity of Carbene-Stabilized Carbon Disulfide Radical Anions, Inorganic Chemistry, doi: 10.1021/acs.inorgchem.4c05030
Tu, Jia et al (2025), Chemical Vapor Deposition of Monolayer Graphene on Centimeter-Sized Cu(111) for Nanoelectronics Applications, ACS Applied Nano Materials, doi: 10.1021/acsanm.5c00588
Wang, Allen M. et al (2025), Learning Plasma Dynamics and Robust Rampdown Trajectories with Predict-First Experiments at TCV, arXiv: 2502.12327 [physics.plasm-ph]
Xie, Yu et al (2025), Incongruent Melting and Phase Diagram of SiC from Machine Learning Molecular Dynamics, arXiv: 2502.17804 [cond-mat.mtr-sci]
Zhang, Ying et al (2025), Emergence of multiple collective motility modes in a physical model of cell chains, via BioRxiv, doi: 10.1101/2025.01.30.635787
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