Related papers: hep-aid: A Python Library for Sample Efficient Par…

ATLAS and CMS have been performing a large number of searches for physics beyond the Standard Model (BSM). In particular results of supersymmetry (SUSY) searches are typically interpreted in the context of simplified models. While mass…

Meta-analysis is a data aggregation method that establishes an overall and objective level of evidence based on the results of several studies. It is necessary to maintain a high level of homogeneity in the aggregation of data collected…

Unsupervised anomaly detection (AD) is critical for a wide range of practical applications, from network security to health and medical tools. Due to the diversity of problems, no single algorithm has been found to be superior for all AD…

With large volumes of health care data comes the research area of computational phenotyping, making use of techniques such as machine learning to describe illnesses and other clinical concepts from the data itself. The "traditional"…

This contribution examines the capabilities of the Python ecosystem to solve nonlinear energy minimization problems, with a particular focus on transitioning from traditional MATLAB methods to Python's advanced computational tools, such as…

Various Markov chain Monte Carlo (MCMC) methods are studied to improve upon random walk Metropolis sampling, for simulation from complex distributions. Examples include Metropolis-adjusted Langevin algorithms, Hamiltonian Monte Carlo, and…

Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Modeling non-empirical and highly flexible interatomic potential energy surfaces (PES) using machine learning (ML) approaches is becoming popular in molecular and materials research. Training an ML-PES is typically performed in two stages:…

We introduce zeus, a well-tested Python implementation of the Ensemble Slice Sampling (ESS) method for Bayesian parameter inference. ESS is a novel Markov chain Monte Carlo (MCMC) algorithm specifically designed to tackle the computational…

We propose an automated computational algorithm for simultaneous model selection and parameter identification for the hyperelastic mechanical characterization of human brain tissue. Following the motive of the recently proposed…

While Monte Carlo Tree Search (MCTS) shows promise in Large Language Model (LLM) based Automatic Heuristic Design (AHD), it suffers from a critical over-exploitation tendency under the limited computational budgets required for heuristic…

The Active Subspace (AS) method is a widely used technique for identifying the most influential directions in high-dimensional input spaces that affect the output of a computational model. The standard AS algorithm requires a sufficient…

The interpretation of Large Hadron Collider (LHC) data in the framework of Beyond the Standard Model (BSM) theories is hampered by the need to run computationally expensive event generators and detector simulators. Performing statistically…

We introduce the AbacusHOD model and present two applications of AbacusHOD and the AbacusSummit simulations to observations. AbacusHOD is an HOD framework written in Python that is particle-based, multi-tracer, highly generalized, and…

With the recently increased interest in probabilistic models, the efficiency of an underlying sampler becomes a crucial consideration. Hamiltonian Monte Carlo (HMC) is one popular option for models of this kind. Performance of the method,…

Neural activity data can be associated with behavioral and physiological variables by analyzing their changes in the temporal domain. However, such relationships are often difficult to quantify and test, requiring advanced computational…

In this paper, we introduce fastHDMI, a Python package designed for efficient variable screening in high-dimensional datasets, particularly neuroimaging data. This work pioneers the application of three mutual information estimation methods…

\texttt{Mixture-Models} is an open-source Python library for fitting Gaussian Mixture Models (GMM) and their variants, such as Parsimonious GMMs, Mixture of Factor Analyzers, MClust models, Mixture of Student's t distributions, etc. It…

Seismic data is often sparse and unevenly distributed due to the high costs and logistical challenges associated with deploying physical seismometers, limiting the application of Machine Learning (ML) in earthquake analysis. While…

This paper proposes a hierarchical adaptive sampling scheme for passivity characterization of large-scale linear lumped macromodels. Here, large-scale is intended both in terms of dynamic order and especially number of input/output ports.…