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SciRS2: A comprehensive scientific computing library in Rust - Python bindings (SciPy alternative)

Project description

SciRS2 - Python Bindings

SciRS2: Type-safe scientific computing in Rust with Python bindings - Specialized for complex statistical analysis with exceptional performance for higher-order statistics.

PyPI License Python

Overview

SciRS2-Python provides Python bindings for the SciRS2 scientific computing ecosystem, offering:

  • Exceptional Complex Statistics: Up to 410x faster than SciPy for skewness, kurtosis, and higher-order moments on small datasets
  • Type Safety: Rust's compile-time guarantees prevent many runtime errors
  • SciPy-Compatible APIs: Familiar interface for Python scientists
  • Zero-Copy Integration: Efficient NumPy array interoperability
  • BLAS/LAPACK Integration: Hardware-accelerated linear algebra via system BLAS (OpenBLAS, Accelerate, MKL)
  • OxiFFT Integration: Pure Rust high-performance FFT with FFTW-compatible algorithms
  • Hybrid Approach: Use alongside NumPy/SciPy for optimal performance

Important: SciRS2 is a specialized tool for type-safe complex statistical analysis, not a general-purpose NumPy/SciPy replacement. See Performance Guide for when to use scirs2 vs NumPy.

BLAS/LAPACK Performance Notice

Performance varies dramatically based on your system's BLAS/LAPACK installation.

SciRS2 uses ndarray-linalg with system BLAS/LAPACK backends for linear algebra operations. The performance you see depends entirely on which BLAS library is available on your system:

Platform Default Backend Performance Level
macOS Apple Accelerate ✅ Excellent (hardware-optimized)
Linux (with OpenBLAS) OpenBLAS ✅ Good to Excellent
Linux (with MKL) Intel MKL ✅ Excellent (Intel CPUs)
Linux (without BLAS) Fallback ⚠️ Very slow (pure Rust)
Windows (with OpenBLAS) OpenBLAS ✅ Good

Ensuring Optimal Performance

macOS: No action needed - uses Accelerate framework automatically.

Linux (Debian/Ubuntu):

sudo apt-get install libopenblas-dev liblapack-dev

Linux (RHEL/CentOS/Fedora):

sudo dnf install openblas-devel lapack-devel

Windows: Install OpenBLAS via vcpkg or use pre-built binaries.

Verify BLAS is being used: If linear algebra operations (det, inv, solve, eig) are >100x slower than SciPy, your system likely lacks a proper BLAS installation.

Installation

pip install scirs2

For development:

pip install scirs2[dev]

Quick Start

SciRS2 excels at statistics - up to 410x faster than SciPy on complex operations:

import numpy as np
import scirs2

# Generate data
data = np.random.randn(1000)

# ✅ Use scirs2 for ALL statistics on small-medium data (MUCH FASTER!)
mean = scirs2.mean_py(data)          # 8x faster than NumPy!
std = scirs2.std_py(data, 0)         # 14x faster than NumPy!
skewness = scirs2.skew_py(data)      # 52x faster than SciPy!
kurtosis = scirs2.kurtosis_py(data)  # 52x faster than SciPy!

print(f"Mean: {mean:.4f}, Std: {std:.4f}")
print(f"Skewness: {skewness:.4f}, Kurtosis: {kurtosis:.4f}")

# ✅ Linear algebra: competitive with BLAS
A = np.random.randn(50, 50)
det = scirs2.det_py(A)               # ~1x vs SciPy (uses Accelerate/OpenBLAS)
inv = scirs2.inv_py(A)               # ~1x vs SciPy

# ✅ FFT: fast on small data
signal = np.random.randn(512)
rfft = scirs2.rfft_py(signal)        # 3x faster than NumPy!

Modules (v0.2.0)

Linear Algebra (linalg)

Linear algebra operations use system BLAS/LAPACK via ndarray-linalg. Performance depends on your BLAS installation (see BLAS/LAPACK Performance Notice above).

import numpy as np
import scirs2

A = np.array([[4.0, 2.0], [2.0, 3.0]])
b = np.array([1.0, 2.0])

# Basic operations
det = scirs2.det_py(A)           # Determinant
inv = scirs2.inv_py(A)           # Inverse
trace = scirs2.trace_py(A)       # Trace

# Decompositions
lu = scirs2.lu_py(A)             # LU: {'L', 'U', 'P'}
qr = scirs2.qr_py(A)             # QR: {'Q', 'R'}
svd = scirs2.svd_py(A)           # SVD: {'U', 'S', 'Vt'}
chol = scirs2.cholesky_py(A)     # Cholesky

# Eigenvalues
eig = scirs2.eig_py(A)           # {'eigenvalues_real', 'eigenvalues_imag', 'eigenvectors'}
eigh = scirs2.eigh_py(A)         # For symmetric matrices

# Linear systems
x = scirs2.solve_py(A, b)        # Solve Ax = b
lstsq = scirs2.lstsq_py(A, b)    # Least squares

# Norms
norm_fro = scirs2.matrix_norm_py(A, "fro")
norm_vec = scirs2.vector_norm_py(b, 2)
cond = scirs2.cond_py(A)
rank = scirs2.matrix_rank_py(A)

Statistics (stats)

Performance Strength: Average 30x faster than SciPy! Complex statistics (skewness, kurtosis) are up to 410x faster on small datasets. Even basic stats (mean, std) are 5-25x faster on small-medium data (<10K elements).

import numpy as np
import scirs2

data = np.array([1.0, 2.0, 3.0, 4.0, 5.0])

# Descriptive statistics
stats = scirs2.describe_py(data)  # Returns dict with all stats
mean = scirs2.mean_py(data)
std = scirs2.std_py(data, 0)      # ddof=0 for population
var = scirs2.var_py(data, 1)      # ddof=1 for sample

# Percentiles
median = scirs2.median_py(data)
p75 = scirs2.percentile_py(data, 75.0)
iqr = scirs2.iqr_py(data)

# Correlation
x = np.array([1.0, 2.0, 3.0, 4.0, 5.0])
y = np.array([2.0, 4.0, 6.0, 8.0, 10.0])
corr = scirs2.correlation_py(x, y)  # Returns 1.0
cov = scirs2.covariance_py(x, y, 1)

FFT (fft)

FFT operations use OxiFFT backend (Pure Rust, FFTW-compatible algorithms). Performance is 2-5x faster than NumPy on small data (<2K samples), but NumPy is faster on large data (>32K samples).

import numpy as np
import scirs2

data = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0])

# FFT
result = scirs2.fft_py(data)      # {'real', 'imag'}
real, imag = result['real'], result['imag']

# Inverse FFT
reconstructed = scirs2.ifft_py(
    np.array(real), np.array(imag)
)

# Real FFT (for real-valued signals)
rfft = scirs2.rfft_py(data)
irfft = scirs2.irfft_py(
    np.array(rfft['real']),
    np.array(rfft['imag']),
    len(data)
)

# DCT
dct = scirs2.dct_py(data, 2)      # Type-II DCT
idct = scirs2.idct_py(np.array(dct), 2)

# Helper functions
freqs = scirs2.fftfreq_py(len(data), 1.0)
rfreqs = scirs2.rfftfreq_py(len(data), 1.0)
shifted = scirs2.fftshift_py(data)
fast_len = scirs2.next_fast_len_py(100, False)

Clustering (cluster)

import numpy as np
import scirs2

# Generate sample data
X = np.vstack([
    np.random.randn(50, 2) + [0, 0],
    np.random.randn(50, 2) + [5, 5],
])

# K-Means clustering
kmeans = scirs2.KMeans(n_clusters=2)
kmeans.fit(X)
labels = kmeans.labels
inertia = kmeans.inertia_

# Evaluation metrics
silhouette = scirs2.silhouette_score_py(X, labels)
davies_bouldin = scirs2.davies_bouldin_score_py(X, labels)
calinski = scirs2.calinski_harabasz_score_py(X, labels)

# Preprocessing
X_std = scirs2.standardize_py(X, True)   # Zero mean, unit variance
X_norm = scirs2.normalize_py(X, "l2")    # L2 normalization

Time Series (series)

import numpy as np
import scirs2

# Create time series
data = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0])
ts = scirs2.PyTimeSeries(data, None)

# Descriptive statistics
stats = ts.describe()

# Differencing
diff1 = scirs2.apply_differencing(ts, 1)        # First difference
seasonal = scirs2.apply_seasonal_differencing(ts, 4)  # Seasonal

# ARIMA modeling
arima = scirs2.PyARIMA(1, 1, 0)  # AR(1), I(1), MA(0)
arima.fit(ts)
forecast = arima.forecast(5)
params = arima.get_params()
print(arima.summary())

# Box-Cox transformation
result = scirs2.boxcox_transform(ts, None)  # Auto-select lambda
transformed = result['transformed']
lambda_val = result['lambda']
recovered = scirs2.boxcox_inverse(np.array(transformed), lambda_val)

# Stationarity test
adf = scirs2.adf_test(ts, None)
print(f"ADF statistic: {adf['statistic']}, p-value: {adf['p_value']}")

# STL decomposition
decomp = scirs2.stl_decomposition(ts, 4)
trend = decomp['trend']
seasonal = decomp['seasonal']
residual = decomp['residual']

Performance

Benchmark Summary (macOS Apple Silicon with Accelerate/OxiFFT):

  • Statistics: 30.40x average speedup, 85.3% win rate
  • FFT: 2.24x average speedup, 53.3% win rate
  • Linear Algebra: 1.94x slower (with proper BLAS), competitive on small matrices
  • Strength: Complex statistics, small-medium data

Where SciRS2 Excels 🏆

Operation Data Size Speedup Use Case
Skewness 100 410x Distribution shape analysis
Kurtosis 100 408x Distribution tail analysis
Skewness 1,000 52x Higher-order moments
Kurtosis 1,000 52x Higher-order moments
Pearson correlation 100 127x Small dataset correlation
Pearson correlation 10,000 17x Medium dataset correlation
IQR 100 95x Quartile calculations
Percentile 100 49x Distribution analysis
Std 100 25x Small data variability
Mean 100 11x Small data average
FFT (rfft) 128 5.2x Small signal processing
FFT (dct) 128 5.5x Small signal processing
Linear Solve 10x10 9.4x Small linear systems

Best Use Cases:

  • Complex statistical analysis on datasets <10,000 elements
  • Higher-order moments (skewness, kurtosis) - up to 410x faster
  • Correlation analysis - up to 127x faster
  • Distribution shape analysis
  • Small FFT operations (<2048 samples)
  • Type-safe Rust integration

Where NumPy/SciPy May Win ⚠️

Operation Size Performance Notes
Linear algebra (SVD, QR) Large (200x200+) 2-4x slower SciPy LAPACK more optimized
FFT operations Large (32K+) 1.5-3x slower NumPy highly optimized for large FFT
Basic stats 100K+ SIMD: 2-4x slower NumPy C optimization

Use NumPy/SciPy for:

  • Large FFT operations (>32K samples)
  • Large matrix decompositions (SVD, QR on 200x200+)
  • Basic statistics on very large datasets (>100K elements)

Linear algebra performance: With proper system BLAS, SciRS2 is within 2x of SciPy. Small matrices (10x10) can be 9x faster.

Decision Matrix

Your Use Case Recommended Tool Reason
Skewness/Kurtosis scirs2 50-410x faster
Correlation scirs2 17-127x faster
Basic stats, small data (<10K) scirs2 3-25x faster
FFT, small data (<2K) scirs2 2-5x faster
Linear algebra, small (<50x50) scirs2 1-9x faster
Linear algebra, large (200x200+) ⚡ Either ~2x slower with BLAS
FFT, large data (>32K) ❌ NumPy 1.5-3x faster
Basic stats, huge data (>100K) ❌ NumPy SIMD optimized
Type-safe Rust integration scirs2 Native Rust types

Recommended Hybrid Approach

import numpy as np
import scirs2

# Generate data
data = np.random.randn(1000)

# ✅ Use scirs2 for complex stats (MUCH FASTER!)
skewness = scirs2.skew_py(data)      # 52x faster than SciPy!
kurtosis = scirs2.kurtosis_py(data)  # 52x faster than SciPy!

# ✅ Use scirs2 for basic stats on small-medium data
mean = scirs2.mean_py(data)          # 8x faster on 1K elements
std = scirs2.std_py(data, 0)         # 14x faster on 1K elements

# ✅ Linear algebra: excellent with BLAS
matrix = np.random.randn(50, 50)
det = scirs2.det_py(matrix)          # ~1x (comparable to SciPy)
inv = scirs2.inv_py(matrix)          # ~1x (comparable to SciPy)

# ✅ FFT: fast on small data
signal = np.random.randn(512)
rfft = scirs2.rfft_py(signal)        # 3x faster than NumPy!

# ⚠️ For large FFT, NumPy is faster
large_signal = np.random.randn(65536)
spectrum = np.fft.rfft(large_signal) # NumPy wins on large data

Note: Benchmarks performed on macOS Apple Silicon with Accelerate framework. Performance may vary on other platforms depending on BLAS installation.

Type Hints

SciRS2 includes type stubs (.pyi files) for better IDE support:

# Your IDE will show type hints and autocompletion
import scirs2
result = scirs2.det_py(matrix)  # IDE knows this returns float

Development

Building from Source

Prerequisites (for optimal linear algebra performance):

macOS: No additional dependencies - uses Accelerate framework.

Linux (Debian/Ubuntu):

sudo apt-get install libopenblas-dev liblapack-dev gfortran

Linux (RHEL/CentOS/Fedora):

sudo dnf install openblas-devel lapack-devel gcc-gfortran

Build Steps:

# Install Rust and maturin
curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh
pip install maturin

# Build (ensure BLAS is installed first!)
cd scirs2-python
maturin develop --release

# Run tests
pip install pytest numpy
pytest tests/

Note: If you see linker errors about openblas or lapack, install the system BLAS libraries as shown above.

Project Structure

scirs2-python/
├── src/           # Rust source with PyO3 bindings
│   ├── lib.rs     # Module registration
│   ├── cluster.rs # Clustering bindings
│   ├── series.rs  # Time series bindings
│   ├── linalg.rs  # Linear algebra bindings
│   ├── stats.rs   # Statistics bindings
│   └── fft.rs     # FFT bindings
├── tests/         # Python tests
├── scirs2.pyi     # Type stubs
└── pyproject.toml

Related Projects

  • SciRS2 - Core Rust library
  • NumPy - Array operations
  • SciPy - Scientific Python (API inspiration)

License

Dual-licensed under MIT OR Apache-2.0

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