Questions tagged [reference-request]

This tag is for requests for books, papers, and citations.

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1answer
123 views

Red flags for numerical computing?

I've learnt the hard way that you should avoid: computing small numbers as the difference of two large numbers evaluating chaotic functions with imprecise inputs. Are there any other red flags a ...
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0answers
37 views

Origin of phrase `computational microscope'

I have heard the term 'computational microscope' used to describe the practice of molecular simulation (in the context e.g. computational chemistry, materials science) and its use as a numerical tool ...
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49 views

Assume $AX = C$. How to determine which entry of $BX - D$ is non-negative?

Let $A,B$ be $n \times n$ matrices and $C,D$ be $n \times 1$ matrices. Moreover, all entries of $A,B,C,D$ are non-negative. Assume that there is a unique matrix $X$ that solves $AX = C$. My goal is ...
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1answer
55 views

Applications of Julia in Chemistry and Molecular Physics?

I was wondering if there are any Theoretical & Computational Chemistry (MM, QM) codes or publications out there that are based primarily on the Julia programming language?
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37 views

Advice for a topic in a seminar

I am a master student in Mathematics, and I have to prepare a seminar for a course in mathematical methods for applied sciences. I have a good background in numerical analysis for ODEs, PDEs and hence ...
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1answer
38 views

Adaptive Lagrangian-Eulerian methods and practical benchmark results

Does anyone know of any published study that talks about the practical aspects of running Adaptive Lagrangian-Eulerian techniques for solid and/or fluid mechanics problems? I'm looking for things ...
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1answer
28 views

Avalability of SNOPT optimization solver

I'd like to know if SNOPT solver is available free of cost for academic research in any of the optimization software packages. I came across a few softwares that have SNOPT, but those require a ...
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50 views

How to solve odd-order differential equations in FEM? Petrov-Galerkin?

I've recently learned about using weighted residuals with the Galerkin method to numerically approximate even-order differential equations (for linear elements, I'm still a beginner). It seems for odd-...
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1answer
69 views

Simple particle-in-cell examples

I am studying about the 1D EM-PIC (Electro Magnetics using particle-in-cell) simulation. I want to have a simultaneous time-integration of the electric/magnetic fields plus the motion of free charges ...
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1answer
175 views

C++ book recommendation- Scientific computing and C++

I'm a master's student in Math interested in Numerical Analysis. I know there are lots of questions like that on this site, but I think this is the best place to ask. So, I'm looking for an ...
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1answer
72 views

Is C++ and Object-Oriented Numeric Computing for Scientists and Engineers by Daoqi Yang still relevant?

I'm looking to learn C++ primarily from a scientific computation perspective. The approach of the textbook seems ideal to me as it covers C++ from first principles with an emphasis on numerical ...
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2answers
181 views

Minimum number of elements (mesh size) for electromagnetic simulation

Does someone have a reference for the minimum number of elements (or maximum mesh size) for electromagnetic simulations where a mathematical or numerical explanation is given? I have found several ...
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3answers
193 views

Morley element implementation reference

I am looking for a detailed reference on the implementation of the Morley element for FEM, specifically for the biharmonic equation. By detailed, I mean that it should discuss the problems associated ...
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0answers
58 views

Can Representation Theory be studied computationally / numerically?

Can a subfield such as the representation theory of Lie algebras be studied computationally / numerically -- is there an interplay between the abstract and the concrete? I would be grateful for an ...
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1answer
323 views

The Formula of Explicit Runge-Kutta Fourteen order

I need an explicit Runge-Kutta 14th order formula. If you know about some reference that discusses at least 10th order (or higher, since I'm looking for the 14th) of Runge-Kutta and there is ...
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51 views

Methods to approximate obective function gradients from point cloud

Problem statement: Assume that I have an objective function $f(x)$ which takes as input a $D$-dimensional vector $x\in\mathbb{R}^D$, and that $f(x)$ is sufficiently smooth. Assume further that I ...
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34 views

Truncated power series algebra implementation

1) I am looking for references for an efficient implementation and usage of TPSA. What sources exist besides Berz's 1989 original paper and the incomplete chapter in Dragt's book? 2) Are there ...
3
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0answers
106 views

What is the fastest algorithm for computing log determinant of a PSD matrix? (All possible PSD matrices)

I am diving into some literature to understand which is the best algorithm for computing the log-determinant of a PSD matrix. More generally, I am interested in a list of resources to read, which ...
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1answer
215 views

Consumer hardware for scientific computing?

I'm interested in problems around probability, statistics, and statistical mechanics, and often I find it useful to perform simulations to get some sense of the underlying phenomena. Example ...
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67 views

How to approach geographic data interpolation by distance?

let's say I have a set of geographic locations (lat, lng) resulting from a query. Those locations have some kind of internal ranking, my set is sorted by this number in a descending order. Now I'm ...
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110 views

“Geometry of ill-conditioning” for least-squares problems

It is an idea that dates back to Demmel, 1987 that the condition number of a problem is often related to the distance to the closest ill-posed problems. In Section 3 of the above paper, the author ...
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1answer
110 views

Simulating advection - diffusion problem in a network of 1D pipe

I'm interested in solving the following advection-diffusion system in a 1D network of pipes. $$\frac{\partial C}{\partial t} = D\frac{\partial ^2 C}{\partial x^2} - v\frac{\partial C}{\partial x}$$ ...
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37 views

Book Recommendation: Analysis and design of mechanistic models - such as pharmacokinetics or hydrology models

I have been looking at an interesting book "Pharmacokinetic-Pharmacodynamic Modeling and Simulation" by Peter Bonate on pharmacokinetic models: the models of how medical drugs work their way through ...
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153 views

Are there well-known methods for navigating on kd-trees?

When you have a mesh, there are many well-known methods to navigate it, as for example using a half-edge data structure, that allows easy circulation around faces and vertices. Are there similar ...
3
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1answer
123 views

Reference request: Riks method (Nonlinear FEM)

I'm struggling to find a good detailed reference explaining the Arc-length method or, more generally, Riks method and its derivations. I looked for the classical books in nonlinear mechanics (the ones ...
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0answers
46 views

Classification of multiobjective optimization algorithms

I am looking for a good (canonical?) overview paper(s)/book(s) on the classification of multiobjective optimization algorithms. I am focused on obtaining a representative set of Pareto optimal ...
3
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1answer
86 views

Good reference on the implementation and limitations of SDIRK methods

For the solution of many PDE, implicit high-order time integration schemes are required. I am specifically interested in schemes that do not require a constant time step. I am well acquainted with ...
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0answers
55 views

References to solve system of differential equations which describe the evolution of sandpile surface using the finite element method

I want to solve the following nonlinear system in 1D \begin{cases} \dot{R} + v \frac{\partial R }{\partial x} - \frac{\partial }{\partial x}\left( D \frac{\partial R }{\partial x} \right) -\Gamma =...
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1answer
104 views

Original paper on the augmented Lagrangian method in FEM

I am writing a paper in which I want to cite the earliest reference to the augmented Lagrangian method in FEM. For the pure Lagrangian method in FEM, the classical work of Babuška [1] is the original ...
2
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1answer
101 views

Null space for smoothed aggregation algebraic multigrid

I do not really get the point of null space usage for creating the prolongation operator for smoothed aggregation algebraic multigrid. I know what the null space is per definition and I know that the ...
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46 views

Is it Grid/Cluster/Cloud Computing? How are those terms defined?

There are three very connected and widely used terms: Grid and grid computing Cluster and cluster computing Cloud and cloud computing In many situations, it is not obvious which term to use, as I ...
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53 views

Reverse automatic differentiation and integration

In Symplectic Runge-Kutta schemes for adjoint equations, automatic differentiation, optimal control and more Sanz Serna writes: It is well known that the reverse mode of differentiation implies ...
3
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1answer
118 views

References for the nonlinear reaction-diffusion equation using Finite Element Methods

I want to study how to solve the following PDE \begin{cases} -\nabla \cdot(\ k(x,y) \ \nabla u \ ) + \beta(x,y)\ u^2 = f(x,y), \ (x,y) \in \Omega \subset \mathbb{R^2} \\ \hspace{0.5cm} u = ...
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2answers
72 views

Good references for dual-weighted residual (DWR) method for goal-oriented adaptive mesh refinement (AMR)

Can anyone help me with good references (books or papers) where I can learn about dual-weighted residual (DWR) method for goal-oriented adaptive mesh refinement (AMR)?
3
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1answer
118 views

Time integration of wave equation

My question is: how come that certain formulations of the wave equation can be time integrated more efficiently then others? Le me expand a bit on that. Consider the wave equation: $$ \frac{d^2 p(t,...
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1answer
465 views

What is the state of the art in solving stiff initial value problems?

I'm looking for current references on solving stiff ODEs. Most of what I know (say, BDF methods) apparently date back to the 1980's, and I feel like a lot of progress should have been made in that ...
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30 views

Cardinal B-Splines with derivative information

Have Schoenberg's cardinal B-splines been extended to accept derivative information at each knot, similar to how Lagrange interpolation can be improved by Hermite interpolation?
2
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1answer
90 views

Is there an optimization scheme/algorithm that converges, for this non-convex scenario but with some special properties

I have a smooth function $f(x) = \frac{g(x)}{h(x)}$ that is the ratio of two smooth convex functions $g(x)$ and $h(x)$. It is known that $f(x)$ has a global minimum, achieved at the unique point $x_0$....
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1answer
57 views

Research articles on MultiObjective Non-Linear Programming (MONLP)

I'm looking for papers dealing with multi-objective non-linear programming which could help me implement an algorithm to solve my problem. My problem is : Maximize $f(x) = c \cdot x$, while ...
2
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1answer
148 views

Numerical integration of Fokker-Planck equation allowing for negative drift?

The Fokker-Planck equation (a.k.a Kolmogorov forward equation or Smoluchowski equation) describes the evolution of a probability density function and numerical integration of the FPE should conserve ...
3
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1answer
499 views

Derivation of backward differentiation formulas(BDF)

I have been reading upon numerical techniques that are used to solve stiff ordinary differential equations. From the description given here, I could follow the steps till equation (5). I am finding ...
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0answers
36 views

Guide for finite-difference schemes for Hamilton-Jacobi-Bellman Equations

I need to solve a simple, low-dimensional Hamilton-Jacobi-Bellman equation. Is there a simple guide for doing this numerically using finite-difference schemes? I found a few research articles ...
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0answers
2k views

Good C++ optimization library for BFGS

To implement maximum likelihood estimators, I am looking for a good C++ optimization library that plays nicely with Eigen's matrix objects. Eigen has some capability of interfacing of its own but if ...
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0answers
60 views

Has there been a comparison bewteen SIMPLE/SIMPLER and JFNK for steady CFD?

I'm looking for a comparison between the Jacobian-Free Newton-Krylov (JFNK) method performance compared to the conventional CFD nonlinear solution methodologies like SIMPLE. Does anyone know if such ...
2
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2answers
84 views

Elliptic equation with finite volume and unstructured high order geometry

I have found that in unstructured mesh, discretizing the laplacian operator with finite volumes requires special care, as given in An Introduction to Computational Fluid Dynamics: The Finite Volume ...
4
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2answers
104 views

Term for the typical “linear in the larger dimension, quadratic in the smaller” cost for linear algebra

Many dense linear algebra decompositions (QR, SVD...) on an $m\times n$ matrix have cost $$ O(\max(m,n)\min(m,n)^2) $$ when implemented in practice on a computer. Is there a colloquial name or a more ...
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0answers
41 views

Sensitivity Lagrangian solution general case

I have asked this question already on maths and mathoverflow. Just a question about a literature reference. I am writing a paper for engineers. Usually for the Lagrange multiplier problem $$ \...
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2answers
98 views

What good are hard-sphere event-driven molecular dynamics simulations in the face of chaos?

Simple hard-sphere dynamical systems can exhibit chaotic dynamics. Due to finite-precision arithmetic when implemented on a computer, the presence of chaos implies that for a given set of initial data,...
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2answers
376 views

For noisy or fine-structured data, are there better quadratures than the midpoint rule?

Only the first two sections of this long question are essential. The others are just for illustration. Background Advanced quadratures such as higher-degree composite Newton–Cotes, Gauß–Legendre, ...
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1answer
81 views

References in Scientific Computation for a Computer Science Undergrad? [duplicate]

TLDR: What references and pre-requisites are necessary for a Computer Science Undergraduate to get ready for a Masters and Career in Scientific Computation / Computational X For a Computer Science ...

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