output
20162025
most citedTREXIO: A File Format and Library for Quantum Chemistry

29 citations

19 papers

physics.chem-ph2025

QMCkl: A Kernel Library for Quantum Monte Carlo Applications

Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16

Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…

cs.LG2025★ 1 cited

Mixed Data Clustering Survey and Challenges

Maxence Choufa, Clement Cornet, Guillaume Guerard +2

The advent of the big data paradigm has transformed how industries manage and analyze information, ushering in an era of unprecedented data volume, velocity, and variety. Within th…

cs.LG2025

PretopoMD: Pretopology-based Mixed Data Hierarchical Clustering

Loup-Noe Levy, Guillaume Guerard, Sonia Djebali +1

This article presents a novel pretopology-based algorithm designed to address the challenges of clustering mixed data without the need for dimensionality reduction. Leveraging Disj…

cs.LG2025★ 1 cited

Hierarchical clustering of complex energy systems using pretopology

Loup-Noe Levy, Jeremie Bosom, Guillaume Guerard +3

This article attempts answering the following problematic: How to model and classify energy consumption profiles over a large distributed territory to optimize the management of bu…

cs.PF2025

MLKAPS: Machine Learning and Adaptive Sampling for HPC Kernel Auto-tuning

Mathys Jam, Eric Petit, Pablo de Oliveira Castro +3

Many High-Performance Computing (HPC) libraries rely on decision trees to select the best kernel hyperparameters at runtime,depending on the input and environment. However, finding…

stat.CO2024

Error Analysis of Sum-Product Algorithms under Stochastic Rounding

Pablo de Oliveira Castro, El-Mehdi El Arar, Eric Petit +1

The quality of numerical computations can be measured through their forward error, for which finding good error bounds is challenging in general. For several algorithms and using s…