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The ability to quantify stochastic fluctuations present in biochemical and other systems is becoming increasing important. Analytical descriptions of these fluctuations are attractive, as stochastic simulations are computationally…
In this paper a library for spin--angular integration in LS-coupling for many-electron atoms is presented. The software is an implementation of a methodology based on the second quantization in coupled tensorial form, the angular momentum…
latfield2 is a C++ library designed to simplify writing parallel codes for solving partial differen- tial equations, developed for application to classical field theories in particle physics and cosmology. It is a significant rewrite of the…
The performance gap between CPU and memory widens continuously. Choosing the best memory layout for each hardware architecture is increasingly important as more and more programs become memory bound. For portable codes that run across…
FIRE is a program performing reduction of Feynman integrals to master integrals. The C++ version of FIRE was presented in 2014. There have been multiple changes and upgrades since then including the possibility to use multiple computers for…
Containers represent a convenient way of packing applications with dependencies for easy user-level installation and productivity. When running on supercomputers, it becomes crucial to optimize the containers to exploit the performance…
A numerical method is developed to solve linear semi-infinite programming problem (LSIP) in which the iterates produced by the algorithm are feasible for the original problem. This is achieved by constructing a sequence of standard linear…
The growing diversity of large language models (LLMs) means users often need to compare and combine outputs from different models to obtain higher-quality or more comprehensive responses. However, switching between separate interfaces and…
The recently developed algorithm FIRE performs the reduction of Feynman integrals to master integrals. It is based on a number of strategies, such as applying the Laporta algorithm, the s-bases algorithm, region-bases and integrating…
Despite the impressive performance of LLMs, their widespread adoption faces challenges due to substantial computational and memory requirements during inference. Recent advancements in model compression and system-level optimization methods…
The integrated nested Laplace approximation (INLA) method has become a popular approach for computationally efficient approximate Bayesian computation. In particular, by leveraging sparsity in random effect precision matrices, INLA is…
We present SubTropica, a Mathematica package that performs symbolic integration of multi-polylogarithmic integrals using recent advances in tropical geometry. It focuses on the class of linearly-reducible Euler integrals, such as Feynman…
The complexity of laboratory environments requires solutions that simplify instrument interaction and enhance measurement automation. Traditional tools often require configuration, software, and programming skills, creating barriers to…
State space models (SSMs) like Mamba have recently attracted much attention. Compared to Transformer-based large language models (LLMs), Mamba achieves linear computation complexity with the sequence length and demonstrates superior…
Aligning large language models (LLMs) to diverse human preferences is fundamentally challenging since criteria can often conflict with each other. Inference-time alignment methods have recently gained popularity as they allow LLMs to be…
Compact representations of automata are important for efficiency. In this paper, we study methods to compute reduced automata, in which no two states accept the same language. We do this for finitary automata (FA), an abstract definition…
We derive and analyze a new, efficient, pool-based active learning algorithm for halfspaces, called ALuMA. Most previous algorithms show exponential improvement in the label complexity assuming that the distribution over the instance space…
The paper presents the project of an open source C/C++ library of analytical solutions to micromechanical fields within media with ellipsoidal heterogeneities. The solutions are based on Eshelby's stress-free, in general polynomial,…
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic…
In the present article we propose a mixed-integer approximation of adjustable-robust optimization (ARO) problems, that have both, continuous and discrete variables on the lowest level. As these trilevel problems are notoriously hard to…