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In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…
PGMax is an open-source Python package for (a) easily specifying discrete Probabilistic Graphical Models (PGMs) as factor graphs; and (b) automatically running efficient and scalable loopy belief propagation (LBP) in JAX. PGMax supports…
This paper introduces and evaluates a freely available cellular nonlinear network simulator optimized for the effective use of GPUs, to achieve fast modelling and simulations. Its relevance is demonstrated for several applications in…
Over the past few decades, neuroscience experiments have become increasingly complex and naturalistic. Experimental design has in turn become more challenging, as experiments must conform to an ever-increasing diversity of design…
We present an overview of Sherpa, an open source Python project, and discuss its development history, broad design concepts and capabilities. Sherpa contains powerful tools for combining parametric models into complex expressions that can…
We present novel mixed-integer programming (MIP) formulations for optimization over nonconvex piecewise linear functions. We exploit recent advances in the systematic construction of MIP formulations to derive new formulations for…
Probabilistic programming is the idea of writing models from statistics and machine learning using program notations and reasoning about these models using generic inference engines. Recently its combination with deep learning has been…
Forward marginal effects have recently been introduced as a versatile and effective model-agnostic interpretation method particularly suited for non-linear and non-parametric prediction models. They provide comprehensible model explanations…
Marginal effects analysis is fundamental to interpreting statistical models, yet existing implementations face computational constraints that limit analysis at scale. We introduce two Julia packages that address this gap. Margins.jl…
Compound AI applications, which compose calls to ML models using a general-purpose programming language like Python, are widely used for a variety of user-facing tasks, from software engineering to enterprise automation, making their…
The Image Source Method (ISM) is one of the most employed techniques to calculate acoustic Room Impulse Responses (RIRs), however, its computational complexity grows fast with the reverberation time of the room and its computation time can…
In the work, we derive exact analytic expressions for $(3+N)$-flavor neutrino oscillation probabilities in an arbitrary matter potential in term of matrix elements and eigenvalues of the Hamiltonian. With the analytic expressions, we…
Calysto Scheme is written in Scheme in Continuation-Passing Style, and converted through a series of correctness-preserving program transformations into Python. It has support for standard Scheme functionality, including call/cc, as well as…
As quantum computing evolves from theoretical promise to practical deployment, the demand for robust, portable, and scalable tools for quantum software experimentation is growing. This paper introduces Quantum Executor, a backend-agnostic…
We introduce Adapters, an open-source library that unifies parameter-efficient and modular transfer learning in large language models. By integrating 10 diverse adapter methods into a unified interface, Adapters offers ease of use and…
A critical step in topology optimization (TO) is finding sensitivities. Manual derivation and implementation of the sensitivities can be quite laborious and error-prone, especially for non-trivial objectives, constraints and material…
We introduce the `nhppp' package for simulating events from one-dimensional non-homogeneous Poisson point processes (NHPPPs) in R fast and with a small memory footprint. We developed it to facilitate the sampling of event times in discrete…
Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…
Code often suffers from performance bugs. These bugs necessitate the research and practice of code optimization. Traditional rule-based methods rely on manually designing and maintaining rules for specific performance bugs (e.g., redundant…
We introduce a new software toolbox for agent-based simulation. Facilitating rapid prototyping by offering a user-friendly Python API, its core rests on an efficient C++ implementation to support simulation of large-scale multi-agent…