SciAgent-Skills matlab-scientific-computing

MATLAB/GNU Octave numerical computing for matrix operations, linear algebra, differential equations, signal processing, optimization, statistics, and scientific visualization. Code examples in MATLAB syntax (runs on both MATLAB and Octave). For Python-based scientific computing use numpy/scipy; for statistical modeling use statsmodels.

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MATLAB/Octave — Scientific Computing

Overview

MATLAB is a numerical computing environment optimized for matrix operations and scientific computing. GNU Octave is a free, open-source alternative with high compatibility. All code examples use MATLAB syntax that runs on both platforms.

When to Use

  • Performing matrix operations and linear algebra (eigenvalues, SVD, least squares)
  • Solving ordinary and partial differential equations numerically
  • Signal processing (FFT, filtering, spectral analysis)
  • Creating 2D/3D scientific visualizations and publication figures
  • Numerical optimization and root finding
  • Statistical analysis and curve fitting
  • Batch processing of experimental data files
  • For Python-based numerical computing, use numpy/scipy instead
  • For statistical modeling with inference, use statsmodels instead

Prerequisites

# GNU Octave (free, open-source)
# macOS
brew install octave
# Ubuntu/Debian
sudo apt install octave

# Running scripts
octave script.m                           # Octave
matlab -nodisplay -nosplash -r "run('script.m'); exit;"  # MATLAB

Note: MATLAB requires a commercial license from MathWorks. GNU Octave is free and runs most MATLAB scripts without modification. Key Octave differences: supports

#
comments,
++
/
+=
operators; some MATLAB toolbox functions unavailable.

Quick Start

% Load data, fit, and plot
x = linspace(0, 2*pi, 100);
y = sin(x) + 0.1 * randn(size(x));
p = polyfit(x, y, 5);
y_fit = polyval(p, x);

figure;
plot(x, y, 'bo', x, y_fit, 'r-', 'LineWidth', 2);
xlabel('x'); ylabel('y');
legend('Data', 'Polynomial fit');
title('Curve Fitting Example');
saveas(gcf, 'fit_result.png');

Core API

1. Matrix Operations

MATLAB operates fundamentally on matrices and arrays.

% Create matrices
A = [1 2 3; 4 5 6; 7 8 9];    % 3x3 matrix
v = linspace(0, 1, 100);       % 100 evenly spaced points
I = eye(3);                     % Identity matrix
R = rand(3, 3);                 % Uniform random
N = randn(3, 3);                % Normal random

% Operations
B = A';                  % Transpose
C = A * B;               % Matrix multiplication
D = A .* B;              % Element-wise multiplication
x = A \ [1; 2; 3];      % Solve Ax = b (preferred over inv(A)*b)
fprintf('Solution: [%.2f, %.2f, %.2f]\n', x);
% Indexing and manipulation
A = magic(5);
sub = A(1:3, 2:4);      % Submatrix (rows 1-3, cols 2-4)
row = A(2, :);           % Entire row 2
col = A(:, 3);           % Entire column 3
A(A < 5) = 0;           % Logical indexing

% Concatenation
C = [A; ones(1, 5)];    % Vertical (add row)
D = [A, zeros(5, 1)];   % Horizontal (add column)
fprintf('Size: %d x %d\n', size(C));

2. Linear Algebra

A = [4 1 2; 1 3 1; 2 1 5];

% Eigendecomposition
[V, D] = eig(A);           % V: eigenvectors, D: diagonal eigenvalues
fprintf('Eigenvalues: %.2f, %.2f, %.2f\n', diag(D));

% Singular value decomposition
[U, S, V] = svd(A);
fprintf('Singular values: %.2f, %.2f, %.2f\n', diag(S));

% Matrix decompositions
[L, U, P] = lu(A);         % LU with pivoting
[Q, R] = qr(A);            % QR decomposition
R_chol = chol(A);           % Cholesky (symmetric positive definite)

% Condition number and rank
fprintf('Condition number: %.2f\n', cond(A));
fprintf('Rank: %d\n', rank(A));

3. Plotting and Visualization

% 2D line plots
x = 0:0.1:2*pi;
figure;
plot(x, sin(x), 'b-', 'LineWidth', 2); hold on;
plot(x, cos(x), 'r--', 'LineWidth', 2);
xlabel('x'); ylabel('y');
title('Trigonometric Functions');
legend('sin(x)', 'cos(x)');
grid on;
saveas(gcf, 'trig.png');
% 3D surface plot
[X, Y] = meshgrid(-2:0.1:2, -2:0.1:2);
Z = X.^2 + Y.^2;
figure;
surf(X, Y, Z);
colorbar; xlabel('X'); ylabel('Y'); zlabel('Z');
title('Paraboloid');
print('-dpdf', 'surface.pdf');
% Multi-panel figure
figure;
subplot(2, 2, 1); plot(x, sin(x)); title('sin');
subplot(2, 2, 2); plot(x, cos(x)); title('cos');
subplot(2, 2, 3); bar([1 3 2 5 4]); title('Bar');
subplot(2, 2, 4); histogram(randn(1000, 1), 30); title('Histogram');
saveas(gcf, 'panels.png');

4. Data Import/Export

% CSV / tabular data
T = readtable('data.csv');
M = readmatrix('data.csv');
fprintf('Table: %d rows x %d cols\n', height(T), width(T));

% Write data
writetable(T, 'output.csv');
writematrix(M, 'output.csv');

% MAT files (MATLAB native binary)
A = rand(100, 100);
save('data.mat', 'A');          % Save variable
S = load('data.mat', 'A');     % Load specific variable

% Images
img = imread('image.png');
fprintf('Image size: %d x %d x %d\n', size(img));
imwrite(img, 'output.jpg');

5. Statistics and Data Analysis

data = randn(1000, 1) * 5 + 50;

% Descriptive statistics
fprintf('Mean: %.2f, Std: %.2f, Median: %.2f\n', mean(data), std(data), median(data));
fprintf('Min: %.2f, Max: %.2f\n', min(data), max(data));

% Correlation and covariance
X = randn(100, 3);
R = corrcoef(X);
fprintf('Correlation matrix:\n');
disp(R);

% Linear regression (polyfit)
x = (1:50)';
y = 2.5 * x + 10 + randn(50, 1) * 5;
p = polyfit(x, y, 1);
fprintf('Slope: %.2f, Intercept: %.2f\n', p(1), p(2));

% Moving statistics
y_smooth = movmean(y, 5);

6. Differential Equations

% First-order ODE: dy/dt = -2y, y(0) = 1
f = @(t, y) -2 * y;
[t, y] = ode45(f, [0 5], 1);
figure; plot(t, y, 'b-', 'LineWidth', 2);
xlabel('Time'); ylabel('y(t)');
title('Exponential Decay');
fprintf('Final value: %.4f (expected: %.4f)\n', y(end), exp(-10));
% Second-order ODE: y'' + 0.5y' + 4y = 0 (damped oscillator)
% Convert to system: y1' = y2, y2' = -0.5*y2 - 4*y1
f = @(t, y) [y(2); -0.5*y(2) - 4*y(1)];
[t, y] = ode45(f, [0 20], [1; 0]);
figure; plot(t, y(:,1), 'b-', 'LineWidth', 2);
xlabel('Time'); ylabel('Displacement');
title('Damped Oscillator');

7. Signal Processing

% Generate signal with two frequencies
fs = 1000;                       % Sampling frequency
t = 0:1/fs:1-1/fs;
signal = sin(2*pi*50*t) + 0.5*sin(2*pi*120*t) + randn(size(t))*0.2;

% FFT
Y = fft(signal);
f = (0:length(Y)-1) * fs / length(Y);
figure;
plot(f(1:length(f)/2), abs(Y(1:length(Y)/2)));
xlabel('Frequency (Hz)'); ylabel('|FFT|');
title('Frequency Spectrum');
% FIR low-pass filter (keep < 80 Hz)
b = fir1(50, 80/(fs/2));          % 50th order, cutoff 80 Hz
filtered = filter(b, 1, signal);
figure;
plot(t, signal, 'b', t, filtered, 'r', 'LineWidth', 1.5);
legend('Original', 'Filtered');
title('Low-pass Filtering');

8. Functions and Programming

% Anonymous functions
f = @(x) x.^2 + 2*x + 1;
fprintf('f(5) = %d\n', f(5));   % 36

% Function files (save as myfunc.m)
% function [rmse, r2] = myfunc(y_true, y_pred)
%     residuals = y_true - y_pred;
%     rmse = sqrt(mean(residuals.^2));
%     ss_res = sum(residuals.^2);
%     ss_tot = sum((y_true - mean(y_true)).^2);
%     r2 = 1 - ss_res / ss_tot;
% end

% Struct for organized data
experiment.name = 'Trial 1';
experiment.data = rand(10, 3);
experiment.params = struct('temp', 37, 'pH', 7.4);
fprintf('Experiment: %s, %d samples\n', experiment.name, size(experiment.data, 1));

Key Concepts

Vectorization

MATLAB is optimized for vectorized operations. Avoid explicit loops when possible:

% Slow (loop)
n = 1e6;
y = zeros(1, n);
tic;
for i = 1:n
    y(i) = sin(i/1000);
end
t_loop = toc;

% Fast (vectorized)
tic;
y = sin((1:n)/1000);
t_vec = toc;
fprintf('Loop: %.3fs, Vectorized: %.3fs, Speedup: %.1fx\n', t_loop, t_vec, t_loop/t_vec);

Element-wise vs Matrix Operations

OperatorMatrixElement-wise
Multiply
A * B
A .* B
Divide
A / B
(right div)
A ./ B
Power
A ^ n
(matrix power)
A .^ n

ODE Solver Selection

SolverOrderWhen to Use
ode45
4-5Default. Most non-stiff problems
ode23
2-3Rough solutions, faster per step
ode113
variableHigh-accuracy, expensive evaluations
ode15s
variableStiff problems (chemical kinetics, circuits)
ode23s
2Stiff, moderate accuracy

Common Workflows

Workflow: Data Analysis Pipeline

% 1. Load data
data = readtable('experiment.csv');

% 2. Clean
data = rmmissing(data);
fprintf('After cleaning: %d rows\n', height(data));

% 3. Group analysis
groups = unique(data.Category);
results = table();
for i = 1:length(groups)
    mask = strcmp(data.Category, groups{i});
    subset = data(mask, :);
    row = table(groups(i), mean(subset.Value), std(subset.Value), ...
        'VariableNames', {'Category', 'Mean', 'Std'});
    results = [results; row];
end
disp(results);

% 4. Visualize and save
figure;
bar(categorical(results.Category), results.Mean);
hold on;
errorbar(1:height(results), results.Mean, results.Std, '.k');
ylabel('Mean Value'); title('Results by Category');
saveas(gcf, 'results.png');
writetable(results, 'summary.csv');

Workflow: Numerical Simulation (Heat Equation)

% 1D heat equation: du/dt = alpha * d2u/dx2
L = 1; N = 100; T_end = 0.5; alpha = 0.01;
dx = L / (N - 1);
dt = 0.4 * dx^2 / alpha;  % CFL condition
x = linspace(0, L, N);
nsteps = floor(T_end / dt);

% Initial condition: Gaussian pulse
u = exp(-50 * (x - 0.5).^2);

% Time stepping (explicit finite difference)
figure;
for step = 1:nsteps
    u_new = u;
    for i = 2:N-1
        u_new(i) = u(i) + alpha * dt / dx^2 * (u(i+1) - 2*u(i) + u(i-1));
    end
    u = u_new;
    if mod(step, floor(nsteps/5)) == 0
        plot(x, u, 'LineWidth', 1.5); hold on;
    end
end
xlabel('Position'); ylabel('Temperature');
title('Heat Equation Evolution');
legend(arrayfun(@(n) sprintf('t=%.2f', n*dt*floor(nsteps/5)), 1:5, 'UniformOutput', false));
saveas(gcf, 'heat_equation.png');

Workflow: Batch File Processing

  1. List files with
    dir('data/*.csv')
  2. Loop through files, load each with
    readtable()
  3. Apply analysis function to each file
  4. Collect results into a summary table with
    vertcat()
  5. Export summary with
    writetable()

Key Parameters

ParameterFunctionDefaultRangeEffect
Order
polyfit
1–20Polynomial degree for fitting
tspan
ode45
[t0, tf]Integration time interval
'LineWidth'
plot
0.50.1–5Line thickness in plots
bins
histogram
auto1–1000Number of histogram bins
Filter order
fir1
10–200FIR filter order (higher = sharper)
'RelTol'
ode45
1e-31e-12–1e-1Relative error tolerance
'AbsTol'
ode45
1e-61e-15–1e-1Absolute error tolerance

Best Practices

  1. Always vectorize over loops: MATLAB's JIT is good but vectorized code is 10-100x faster for large arrays. Use

    bsxfun
    , logical indexing, and array operations.

  2. Preallocate arrays: Growing arrays in loops causes repeated memory allocation.

    % Bad: y = []; for i=1:n, y = [y, f(i)]; end
    % Good:
    y = zeros(1, n);
    for i = 1:n, y(i) = f(i); end
    
  3. Use

    \
    instead of
    inv()
    for linear systems
    :
    A\b
    is numerically more stable and faster than
    inv(A)*b
    .

  4. Anti-pattern — using

    ==
    for floating-point comparison: Use
    abs(a - b) < tol
    instead of
    a == b
    due to floating-point precision.

  5. Save figures in vector format for publications: Use

    print('-dpdf', 'fig.pdf')
    or
    print('-dsvg', 'fig.svg')
    instead of PNG for scalable figures.

  6. Anti-pattern — mixing 0-indexed and 1-indexed logic: MATLAB arrays start at 1. When porting from Python/C, adjust all indices.

  7. Use

    fprintf
    over
    disp
    for formatted output
    :
    fprintf
    gives control over number formatting;
    disp
    only shows raw values.

Common Recipes

Recipe: Curve Fitting with Confidence Intervals

x = (1:20)';
y = 3 * exp(-0.2 * x) + 0.5 * randn(size(x));

% Nonlinear fit using lsqcurvefit (Optimization Toolbox)
% Or use polyfit for polynomial:
p = polyfit(x, y, 3);
y_fit = polyval(p, x);
residuals = y - y_fit;
rmse = sqrt(mean(residuals.^2));
fprintf('RMSE: %.4f\n', rmse);

figure;
plot(x, y, 'ko', x, y_fit, 'r-', 'LineWidth', 2);
xlabel('x'); ylabel('y');
title(sprintf('Polynomial Fit (RMSE = %.3f)', rmse));
saveas(gcf, 'curvefit.png');

Recipe: Image Processing Basics

img = imread('sample.png');
gray = rgb2gray(img);

% Edge detection
edges = edge(gray, 'Canny');

% Display
figure;
subplot(1, 3, 1); imshow(img); title('Original');
subplot(1, 3, 2); imshow(gray); title('Grayscale');
subplot(1, 3, 3); imshow(edges); title('Edges');
saveas(gcf, 'image_processing.png');

Recipe: Python Integration

% Call Python from MATLAB (requires Python on PATH)
result = py.numpy.array([1, 2, 3, 4, 5]);
py_mean = py.numpy.mean(result);
fprintf('Python numpy mean: %.1f\n', double(py_mean));

% Call MATLAB from Python (requires matlab.engine)
% import matlab.engine
% eng = matlab.engine.start_matlab()
% result = eng.sqrt(42.0)

Troubleshooting

ProblemCauseSolution
Undefined function or variable
Function not on path or misspelledCheck
which funcname
; add path with
addpath()
Dimension mismatch in
*
Matrix sizes incompatibleUse
.*
for element-wise; check
size()
of both operands
ODE solver very slowStiff problem with non-stiff solverSwitch to
ode15s
or
ode23s
for stiff systems
Singular matrix
warning
Matrix is rank-deficientCheck
cond(A)
; use
pinv()
(pseudo-inverse) or regularize
Octave
pkg
error
Package not installedRun
pkg install -forge package_name; pkg load package_name
Figure not savingNo
figure
handle active
Create figure explicitly with
figure;
before plotting
Out of memory
Large array allocationUse sparse matrices (
sparse()
), process in chunks, or increase swap

Related Skills

  • statsmodels-statistical-modeling — Python alternative for statistical modeling with inference tables
  • matplotlib-scientific-plotting — Python plotting; use when working in Python ecosystem
  • scikit-learn-machine-learning — Python ML; for classification/clustering tasks better suited to Python

References