arXiv Machine Learning By Congrong Ren, Sheng Di, Katrin Heitmann, Franck Cappello, Hanqi Guo

Preserving Clusters in Error-Bounded Lossy Compression of Scientific Particle Data

Read the original on arXiv Machine Learning →

arXiv:2604. 18801v2 Announce Type: replace Abstract: Scientific particle simulations in cosmology, molecular dynamics, and fluid dynamics produce large-scale datasets whose storage, movement, and analysis increasingly rely on lossy compression.

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arXiv Machine Learning
Sep 4

Generative Nested Sampling of Atomistic Thermodynamic Landscapes

The paper introduces NS‑Flows, a flow‑based nested sampling method that replaces Markov‑chain updates with a conditional normalizing flow trained on live sets. By applying this technique to a Lennard‑Jones particle system, the authors achieve over two orders of magnitude fewer energy evaluations and a roughly one‑third reduction in wall‑clock time compared to traditional nested sampling. The study also shows that the flow’s generation efficiency varies non‑monotonically along the annealing trajectory, providing a diagnostic of the system’s internal mode complexity and identifying liquid‑like ensembles as the most challenging for current flow architectures.

By Alessandro Coretti, Nico Unglert, Sebastian Falkner, Georg K. H. Madsen, Christoph Dellago
arXiv Machine Learning
Jun 8

ScatterPrism: convergence for generative simulation and inverse problems in particle and nuclear physics

arXiv:2604. 01313v2 Announce Type: replace Abstract: High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation.

By Zeyu Xia, Tyler Kim, Trevor Reed, Judy Fox, Geoffrey Fox, Adam Szczepaniak