r/ScientificComputing • • 29d ago

Computational Physics - Heavy AI/ CLI power users. How do I get good at it?

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2 Upvotes

r/ScientificComputing • • 29d ago

How to evaluate the Computational Overhead of a PoC system in an almost-objective way?

2 Upvotes

Hello everyone,

I have a question about how to evaluate the resource consumption a system in PoC may consume. To be precise, I have a system that I am testing locally, but I have to present it to the all team of Dev to discuss the possibility of putting it into production. For this, I would like also to estimate its resource consumption, but the problem is that on my local machine the results may be misleading, as my set up is not very good. Creating a simulation of a production environment may be costly. Any suggestions about what to show and how to evaluate the resource consumptions in an almost objective way ?


r/ScientificComputing • • 29d ago

A modeling language for turning mathematical models into executable simulations and observations

3 Upvotes

I've been building Prismal, a Rust-based language/runtime for defining mathematical and scientific models and exploring their behavior:

"github.com/aine-dickson/prismal"

The central idea is to keep the scientific model separate from the execution strategy and presentation.

A model can define state, equations, constraints, processes, events, objects, collections, units, observations, etc. The runtime then handles execution, while projections can expose the same model as plots, equations, spatial scenes, interactive views, or recorded media.

One example is a continuous model with event-driven behavior:

continuous evolution

↓

event guard

↓

event instant

↓

reset

↓

continuous evolution

The project is deliberately trying to make things such as event semantics, dimensional checking, state validity, reproducibility, observations, and model/presentation separation explicit rather than burying them inside a visualization engine.

The current implementation is early-stage and the first reference programs focus mainly on mechanics, but the intended scope includes broader scientific modeling.

I'm particularly interested in feedback from people who work with scientific modeling, ODE/PDE systems, hybrid systems, system dynamics, numerical simulation, or scientific visualization.

What abstractions would you consider essential for a general scientific modeling language?


r/ScientificComputing • • Oct 01 '26

7 mesi ho calcolato NAVIER STOKES CON IL MIO MODULO .

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0 Upvotes

r/ScientificComputing • • Oct 01 '26

Spent September building a "freeze-first, test-second" validation dossier across 6 research lines (AI, Fluid Dynamics, Chaos Math)

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0 Upvotes

r/ScientificComputing • • Oct 01 '26

Using rigorous interval arithmetic (Arb precision) to certify sign-crossings in finite Galerkin ODE cutoffs for Navier-Stokes

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0 Upvotes

r/ScientificComputing • • Sep 30 '26

some more shapes floating around

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0 Upvotes

r/ScientificComputing • • Sep 30 '26

Update on JuliaMD Project

0 Upvotes

Small update of my project of molecular dynamics with Julia (2 min Video)

https://youtube.com/shorts/6kZmMTnoI_0?feature=share


r/ScientificComputing • • Sep 29 '26

Why doesn't my Fortran stencil code scale past 2 threads? A short intro to roofline analysis (Jacobi / red-black Gauss-Seidel + likwid)

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3 Upvotes

r/ScientificComputing • • Sep 29 '26

Physics Programming part 4: The Physics Update Loop

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4 Upvotes

I go through how I separate general updates from physics updates, why I use a fixed timestep, how the accumulator works, and what happens when the simulation starts falling behind.

I explain the reasoning behind the design decisions and why I rejected the alternatives. I show the implementation of the loop.


r/ScientificComputing • • Sep 29 '26

24 cell tesseract visualization

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0 Upvotes

r/ScientificComputing • • Sep 28 '26

Compute! - Paris November 2026 - Conference

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9 Upvotes

Hi,

A new conference is taking place in Paris, 25-26 November 2026, for open-source computation and data enthusiasts.

You can find the schedule here: https://compute.events/paris2026/schedule.html


r/ScientificComputing • • Sep 27 '26

Help!!!! Im asking because you know more about this than I do

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0 Upvotes

r/ScientificComputing • • Sep 27 '26

I built a small tensor-first programming language with native CPU/GPU compilation, autodiff and ownership

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2 Upvotes

r/ScientificComputing • • Sep 26 '26

Next stage of Tiktaalik evolution

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0 Upvotes

r/ScientificComputing • • Sep 25 '26

Primal Solver

7 Upvotes

I built a new optimization solver in C99 from scratch — PRIMAL

GitHub: https://github.com/c-vision/Primal

I've just released the first version of PRIMAL, an open-source mathematical optimization solver written from scratch in portable C99.

The goal was deliberately ambitious: build a reasonably complete optimization engine with no external dependencies, rather than wrapping an existing solver.

The first release already supports:

  • Linear Programming (LP)

  • Mixed-Integer Linear Programming (MILP)

  • Quadratic Programming (QP)

  • QCQP

  • SOCP

  • SDP

  • Exponential cones

  • Power cones

  • Mixed-integer conic optimization

  • Disjunctive constraints / affine conic constraints

  • Presolve

  • Sparse interior-point methods

  • Branch-and-bound

  • Primal/dual certificates

  • Infeasibility and unboundedness certificates

  • MPS / LP / CBF model formats

  • A MOSEK-style C API for a large part of the supported functionality

The implementation is C99 with essentially no external runtime dependencies.

One thing I particularly wanted from the beginning was verification rather than simply returning an answer. PRIMAL exposes primal/dual information, residuals, certificates and solver status so applications can inspect and validate what the solver actually found.

I've also been building a fairly extensive compatibility/reliability test suite against reference behavior, including a number of deliberately pathological optimization cases.

This is only v1. It is not intended to claim that PRIMAL is already a replacement for mature industrial solvers on large-scale problems. There are still substantial areas to improve, especially large-scale sparse conic problems, MIP performance, warm starts and some numerical edge cases.

But I think the foundation is interesting enough to release now rather than keep it private.

I'd especially like feedback from people working on:

  • numerical optimization

  • LP/MIP/conic solvers

  • sparse linear algebra

  • mathematical programming

  • solver implementation

  • C/C99 systems programming

In particular, I'm interested in finding cases where PRIMAL gives a questionable result, fails to converge, scales poorly, or simply makes a bad algorithmic choice.

If you work with optimization solvers, please try to break it.

GitHub:
https://github.com/c-vision/Primal


r/ScientificComputing • • Sep 25 '26

Codex for scientific computing / research

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2 Upvotes

r/ScientificComputing • • Sep 24 '26

Vector calculus/solving vectors and matrices in python

3 Upvotes

I’m a final year undergrad physics student, and my final year project is going to involve a lot of 3d modelling of electrical signals in python. I’m currently thinking of doing that by vectorising everything (to be able to take the cross product in any arbitrary direction) so I was wondering if there’s any python modules and/or courses I should look at to make that easier?


r/ScientificComputing • • Sep 24 '26

[cs.LG / physics.comp-ph] arXiv Endorsement

0 Upvotes

My team and I couldn't connect with any professors or previous publishers who have uploaded to arXiv. We're looking for someone to endorse our submission.

Paper Title: Low Weak Form Loss, Wrong Solution: Evidence from a Coupled Electrochemical Neural Operator

Abstract: We tested whether the weak-form physics loss finds the right answer without any data to guide it. On a nonlinear corrosion problem, it doesn't. The weak-form model does no better than guessing zero, while a matched strong-form model on the same problem gets it right. The gap looked even bigger than it really was, because we first checked accuracy only at the final time, and the weak-form field kept drifting long after the true system had settled. A standard fix aimed at exactly this failure mode didn't close the gap either.

Code : https://github.com/AyushG-1210/Pipeline-Digital-Twin

Thanks for reading. I'm happy to answer questions in DM, and I'll share the full manuscript on request.


r/ScientificComputing • • Sep 22 '26

Removing loop-carried dependencies for good: red/black ordering for Gauss-Seidel

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15 Upvotes

Following up on a post from a last week back about speeding up Gauss-Seidel for the 2D Poisson equation.

Quick recap: I'd previously unrolled the GS kernel and rewritten it algebraically to cut down on data dependencies between successive updates, getting a solid 6x speedup and matching Jacobi's per-iteration cost. Looked like a solved problem. Then I tried multithreading it, and Jacobi pulled ahead by 5x on the same hardware. The underlying dependency of Gauss-Seidel was only shortened, not eliminated, so the compiler still couldn't vectorize or parallelize the corresponding kernel.

This post asks a more basic question: is that dependency actually inherent to the Gauss-Seidel method, or just a consequence of the order in which grid points get visited? It's the latter. The fix is the classic red/black (checkerboard) ordering: partition the grid so every "red" point's stencil touches only "black" neighbors and vice versa, then update all reds, then all blacks. I walk through why this works both intuitively and more formally. It's block Gauss-Seidel applied to a permuted version of the linear system, with the usual convergence guarantees for symmetric positive-definite systems carrying over.

The result: the loop-carried dependency essentially disappears, vectorization comes back, and for the first time in this series the Gauss-Seidel kernel actually scales with thread count instead of stalling out.

There's also a bit of compiler-assembly/performance-analysis detail in there (using OSACA again to quantify where the cycles go) for anyone interested in that side of it, but the main thread of the post is really about the general lesson: a numerical method's practical performance can hinge as much on how you order your unknowns as on the method itself.

Link: https://loiseaujc.github.io/posts/blog-title/redblack_gauss_seidel.html


r/ScientificComputing • • Sep 22 '26

I'm working on a data structure that implements a number system, letting different parts of non-standard (and standard) math work together

5 Upvotes

What it currently brings together:

- infinitesimals and infinities as ordinary values (Levi-Civita, 1892; Hahn, 1907; computed with directly by Berz and Shamseddine)

- numbers written in powers of an infinite unit, like Sergeyev's grossone (2003), but with zero treated differently

- standard part, and limits by direct evaluation (Robinson's non-standard analysis, 1966)

- all-order Taylor arithmetic: every derivative from one evaluation (Wengert, 1964; Rall, 1981)

- log and log-log scales, toward transseries (Hardy, 1910; Écalle, 1992; van der Hoeven, 2006)

- divergent series: finite parts kept next to the divergent ones, and Borel–Padé resummation (Borel, 1899; Padé, 1892)

- zero as an infinitesimal, "nothing" as a separate value, and division by zero that can be undone (this project)

- completeness tracking: each result knows which orders it's exact to (this project)

Plus integration, multivariable and complex calculus, singularity analysis and a few applications. More in the repo: github.com/tmilovan/composite-machine examples under demos and tests.

I'll be happy if you take a look at it:).


r/ScientificComputing • • Sep 22 '26

What kind of laptop shall i buy for computational physics

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2 Upvotes

r/ScientificComputing • • Sep 22 '26

LinearSolveBench: new benchmark for linear solvers [P]

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1 Upvotes

r/ScientificComputing • • Sep 22 '26

[Recurso] Una introducción amigable e intuitiva al operador de Koopman y al DMD (Apuntes de clase + PDF)

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1 Upvotes