Related papers: FormCalc 7
In this work, we introduce three algorithmic improvements to reduce the cost and improve the scaling of orbital space variational Monte Carlo (VMC). First, we show that by appropriately screening the one- and two-electron integrals of the…
The Cuba library provides new implementations of four general-purpose multidimensional integration algorithms: Vegas, Suave, Divonne, and Cuhre. Suave is a new algorithm, Divonne is a known algorithm to which important details have been…
A program RCFP will be presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. The list of quantities wich are supported by the present program includes the…
This article optimizes the inference performance of the Qwen-1.8B model by performing Int8 quantization, vectorizing some operators in llama.cpp, and modifying the compilation script to improve the compiler optimization level. On the Yitian…
We present a general-purpose solver for convex quadratic programs based on the alternating direction method of multipliers, employing a novel operator splitting technique that requires the solution of a quasi-definite linear system with the…
There have been several modifications of how basic calculus has been taught, but very few of these modifications have considered the computational tools available at our disposal. Here, we present a few tools that are easy to develop and…
Deployment of Large Language Models (LLMs) has major computational costs, due to their rapidly expanding size. Compression of LLMs reduces the memory footprint, latency, and energy required for their inference. Post-training Quantization…
Many optimization problems arising in high-dimensional statistics decompose naturally into a sum of several terms, where the individual terms are relatively simple but the composite objective function can only be optimized with iterative…
We present FormTracer, a high-performance, general purpose, easy-to-use Mathematica tracing package which uses FORM. It supports arbitrary space and spinor dimensions as well as an arbitrary number of simple compact Lie groups. While…
Typeclasses provide an elegant and effective way of managing ad-hoc polymorphism in both programming languages and interactive proof assistants. However, the increasingly sophisticated uses of typeclasses within proof assistants, especially…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
The program Ortocartan for algebraic calculations in relativity has just been implemented in the Codemist Standard Lisp and can now be used under the Windows 98 and Linux operating systems. The paper describes the new facilities and…
Cloud Computing has established itself as an efficient and cost-effective paradigm for the execution of web-based applications, and scientific workloads, that need elasticity and on-demand scalability capabilities. However, the evaluation…
Ground-state auxiliary-field quantum Monte Carlo (AFQMC) methods have become key numerical tools for studying quantum phases and phase transitions in interacting many-fermion systems. Despite the broad applicability, the efficiency of these…
Revisionist integral deferred correction (RIDC) methods are a family of parallel--in--time methods to solve systems of initial values problems. The approach is able to bootstrap lower order time integrators to provide high order…
Efficient multiple precision linear numerical computation libraries such as MPLAPACK are critical in dealing with ill-conditioned problems. Specifically, there are optimization methods for matrix multiplication, such as the Strassen…
We present a program that implements the OPP reduction method to extract the coefficients of the one-loop scalar integrals from a user defined (sub)-amplitude or Feynman Diagram, as well as the rational terms coming from the 4-dimensional…
We describe how to incorporate symmetries of the Hamiltonian into auxiliary-field quantum Monte Carlo calculations (AFQMC). Focusing on the case of Abelian symmetries, we show that the computational cost of most steps of an AFQMC…
Due to its flexible architecture, FPGAs support unique, deep hardware pipeline implementations for accelerating HPC applications. However, these devices are quite new in the HPC space, and thus, have been scarcely explored outside some…
In a previous paper a new approach has been introduced for computing, recursively and numerically, one-loop tensor integrals. Here we describe a few modifications of the original method that allow a more efficient numerical implementation…