feat(ga): Overhaul GA for multi-root robustness and CPU performance

### 🚀 Performance (CPU)
* Replaces `np.polyval` with a parallel Numba JIT function (`_calculate_ranks_numba`).
* Replaces $O(N \log N)$ `np.argsort` with $O(N)$ `np.argpartition` in the GA loop.
* Adds `numba` as a core dependency.

### 🧠 Robustness (Algorithm)
* Implements Blend Crossover (BLX-$\alpha$) for better, extrapolative exploration.
* Uses a hybrid selection model (top X% for crossover, 100% for mutation) to preserve root niches.
* Adds `selection_percentile` and `blend_alpha` to `GA_Options` for tuning.

README.md

@@ -5,13 +5,14 @@
 [![PyPI version](https://img.shields.io/pypi/v/polysolve.svg)](https://pypi.org/project/polysolve/)
 [![PyPI pyversions](https://img.shields.io/pypi/pyversions/polysolve.svg)](https://pypi.org/project/polysolve/)
 
-A Python library for representing, manipulating, and solving polynomial equations using a high-performance genetic algorithm, with optional CUDA/GPU acceleration.
+A Python library for representing, manipulating, and solving polynomial equations. Features a high-performance, Numba-accelerated genetic algorithm for CPU, with an optional CUDA/GPU backend for massive-scale parallel solving.
 
 ---
 
 ## Key Features
 
 * **Numerically Stable Solver**: Makes complex calculations **practical**. Leverage your GPU to power the robust genetic algorithm, solving high-degree polynomials accurately in a reasonable timeframe.
+* **Numba Accelerated CPU Solver**: The default genetic algorithm is JIT-compiled with Numba for high-speed CPU performance, right out of the box.
 * **CUDA Accelerated**: Leverage NVIDIA GPUs for a massive performance boost when finding roots in large solution spaces.
 * **Create and Manipulate Polynomials**: Easily define polynomials of any degree using integer or float coefficients, and perform arithmetic operations like addition, subtraction, multiplication, and scaling.
 * **Analytical Solvers**: Includes standard, exact solvers for simple cases (e.g., `quadratic_solve`).
@@ -74,8 +75,8 @@ roots_analytic = f1.quadratic_solve()
 print(f"Analytic roots: {sorted(roots_analytic)}")
 # > Analytic roots: [-1.0, 2.5]
 
-# 6. Find roots with the genetic algorithm (CPU)
+# 6. Find roots with the genetic algorithm (Numba CPU)
-#    This can solve polynomials of any degree.
+#    This is the default, JIT-compiled CPU solver.
 ga_opts = GA_Options(num_of_generations=20)
 roots_ga = f1.get_real_roots(ga_opts, use_cuda=False)
 print(f"Approximate roots from GA: {roots_ga[:2]}")
@@ -98,13 +99,22 @@ The default options are balanced, but for very complex polynomials, you may want
 ```python
 from polysolve import GA_Options
 
-# Create a config for a much deeper, more accurate search
+# Create a config for a deep search, optimized for finding
-# (slower, but better for high-degree, complex functions)
+# *all* real roots (even if they are far apart).
-ga_accurate = GA_Options(
+ga_robust_search = GA_Options(
     num_of_generations=50,  # Run for more generations
     data_size=500000,       # Use a larger population
-    elite_ratio=0.1,        # Keep the top 10%
+
-    mutation_ratio=0.5      # Mutate 50%
+    # --- Key Tuning Parameters for Multi-Root Finding ---
+
+    # Widen the parent pool to 75% to keep more "niches"
+    # (solution-clouds around different roots) alive.
+    selection_percentile=0.75, 
+
+    # Increase the crossover blend factor to 0.75.
+    # This allows new solutions to be created further
+    # away from their parents, increasing exploration.
+    blend_alpha=0.75
 )
 
 # Pass the custom options to the solver

pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 # --- Core Metadata ---
 name = "polysolve"
-version = "0.5.1"
+version = "0.6.0"
 authors = [
   { name="Jonathan Rampersad", email="jonathan@jono-rams.work" },
 ]
@@ -33,7 +33,8 @@ classifiers = [
 
 # --- Dependencies ---
 dependencies = [
-    "numpy>=1.21"
+    "numpy>=1.21",
+    "numba"
 ]
 
 # --- Optional Dependencies (Extras) ---

src/polysolve/__init__.py

@@ -1,5 +1,6 @@
 import math
 import numpy as np
+import numba
 from dataclasses import dataclass
 from typing import List, Optional, Union
 import warnings
@@ -37,6 +38,31 @@ extern "C" __global__ void fitness_kernel(
 }
 """
 
+@numba.jit(nopython=True, fastmath=True, parallel=True)
+def _calculate_ranks_numba(solutions, coefficients, y_val, ranks):
+    """
+    A Numba-jitted, parallel function to calculate fitness.
+    This replaces np.polyval and the rank calculation.
+    """
+    num_coefficients = coefficients.shape[0]
+    data_size = solutions.shape[0]
+        
+    # This prange will be run in parallel on all your CPU cores
+    for idx in numba.prange(data_size):
+        x_val = solutions[idx]
+            
+        # Horner's method (same as np.polyval)
+        ans = coefficients[0]
+        for i in range(1, num_coefficients):
+            ans = ans * x_val + coefficients[i]
+            
+        ans -= y_val
+            
+        if ans == 0.0:
+            ranks[idx] = 1.7976931348623157e+308 # np.finfo(float).max
+        else:
+            ranks[idx] = abs(1.0 / ans)
+
 @dataclass
 class GA_Options:
     """
@@ -62,6 +88,16 @@ class GA_Options:
         mutation_ratio (float): The percentage (e.g., 0.40 for 40%) of the next
                                 generation to be created by mutating solutions
                                 from the parent pool. Default: 0.40
+        selection_percentile (float): The top percentage (e.g., 0.66 for 66%)
+                                      of solutions to use as the parent pool
+                                      for crossover. A smaller value speeds
+                                      up single-root convergence; a larger
+                                      value helps find multiple roots.
+                                      Default: 0.66
+        blend_alpha (float): The expansion factor for Blend Crossover (BLX-alpha).
+                             0.0 = average crossover (no expansion).
+                             0.5 = 50% expansion beyond the parent range.
+                             Default: 0.5
         root_precision (int): The number of decimal places to round roots to
                               when clustering. A smaller number (e.g., 3)
                               groups roots more aggressively. A larger number
@@ -76,6 +112,8 @@ class GA_Options:
     elite_ratio: float = 0.05
     crossover_ratio: float = 0.45
     mutation_ratio: float = 0.40
+    selection_percentile: float = 0.66
+    blend_alpha: float = 0.5
     root_precision: int = 5
 
     def __post_init__(self):
@@ -87,6 +125,14 @@ class GA_Options:
             )
         if any(r < 0 for r in [self.elite_ratio, self.crossover_ratio, self.mutation_ratio]):
             raise ValueError("GA ratios cannot be negative.")
+        if not (0 < self.selection_percentile <= 1.0):
+            raise ValueError(
+                f"selection_percentile must be between 0 (exclusive) and 1.0 (inclusive), but got {self.selection_percentile}"
+            )
+        if self.blend_alpha < 0:
+            raise ValueError(
+                f"blend_alpha cannot be negative, but got {self.blend_alpha}"
+            )
 
 def _get_cauchy_bound(coeffs: np.ndarray) -> float:
     """
@@ -320,40 +366,57 @@ class Function:
         # Create initial random solutions
         solutions = np.random.uniform(min_r, max_r, data_size)
 
+        # Pre-allocate ranks array
+        ranks = np.empty(data_size, dtype=np.float64)
+
         for _ in range(options.num_of_generations):
             # Calculate fitness for all solutions (vectorized)
-            y_calculated = np.polyval(self.coefficients, solutions)
+            _calculate_ranks_numba(solutions, self.coefficients, y_val, ranks)
-            error = y_calculated - y_val
+
+            parent_pool_size = int(data_size * options.selection_percentile)
+
+            # 1. Get indices for the elite solutions (O(N) operation)
+            #    We find the 'elite_size'-th largest element.
+            elite_indices = np.argpartition(-ranks, elite_size)[:elite_size]
             
-            with np.errstate(divide='ignore'):
+            # 2. Get indices for the parent pool (O(N) operation)
-                ranks = np.where(error == 0, np.finfo(float).max, np.abs(1.0 / error))
+            #    We find the 'parent_pool_size'-th largest element.
-            
+            parent_pool_indices = np.argpartition(-ranks, parent_pool_size)[:parent_pool_size]
-            # Sort solutions by fitness (descending)
-            sorted_indices = np.argsort(-ranks)
-            solutions = solutions[sorted_indices]
 
             # --- Create the next generation ---
 
             # 1. Elitism: Keep the best solutions as-is
-            elite_solutions = solutions[:elite_size]
+            elite_solutions = solutions[elite_indices]
-
-            # Define a "parent pool" of the top 50% of solutions to breed from
-            parent_pool = solutions[:data_size // 2]
 
             # 2. Crossover: Breed two parents to create a child
-            # Select from the full list (indices 0 to data_size-1)
+            # Select from the fitter PARENT POOL
-            parent1_indices = np.random.randint(0, data_size, crossover_size)
+            parents1_idx = np.random.choice(parent_pool_indices, crossover_size)
-            parent2_indices = np.random.randint(0, data_size, crossover_size)
+            parents2_idx = np.random.choice(parent_pool_indices, crossover_size)
-            parents1 = solutions[parent1_indices]
+            
-            parents2 = solutions[parent2_indices]
+            parents1 = solutions[parents1_idx]
-            # Simple "average" crossover
+            parents2 = solutions[parents2_idx]
-            crossover_solutions = (parents1 + parents2) / 2.0
+            # Blend Crossover (BLX-alpha)
+            alpha = options.blend_alpha
+
+            # Find min/max for all parent pairs
+            p_min = np.minimum(parents1, parents2)
+            p_max = np.maximum(parents1, parents2)
+
+            # Calculate range (I)
+            parent_range = p_max - p_min
+
+            # Calculate new min/max for the expanded range
+            new_min = p_min - (alpha * parent_range)
+            new_max = p_max + (alpha * parent_range)
+
+            # Create a new random child within the expanded range
+            crossover_solutions = np.random.uniform(new_min, new_max, crossover_size)
 
             # 3. Mutation:
             # Select from the full list (indices 0 to data_size-1)
             mutation_candidates = solutions[np.random.randint(0, data_size, mutation_size)]
             
-            # Use mutation_strength (the new name)
+            # Use mutation_strength
             mutation_factors = np.random.uniform(
                 1 - options.mutation_strength,
                 1 + options.mutation_strength,
@@ -374,10 +437,7 @@ class Function:
 
         # --- Final Step: Return the best results ---
         # After all generations, do one last ranking to find the best solutions
-        y_calculated = np.polyval(self.coefficients, solutions)
+        _calculate_ranks_numba(solutions, self.coefficients, y_val, ranks)
-        error = y_calculated - y_val
-        with np.errstate(divide='ignore'):
-            ranks = np.where(error == 0, np.finfo(float).max, np.abs(1.0 / error))
         
         # 1. Define quality based on the user's desired precision
         #    (e.g., precision=5 -> rank > 1e6, precision=8 -> rank > 1e9)
@@ -458,17 +518,31 @@ class Function:
             # 1. Elitism
             d_elite_solutions = d_solutions[:elite_size]
 
-            # Define a "parent pool" of the top 50% of solutions to breed from
-            d_parent_pool = d_solutions[:data_size // 2]
-            parent_pool_size = d_parent_pool.size
-
             # 2. Crossover
-            # Select from the full list (indices 0 to data_size-1)
+            parent_pool_size = int(data_size * options.selection_percentile)
-            parent1_indices = cupy.random.randint(0, data_size, crossover_size)
+            # Select from the fitter PARENT POOL
-            parent2_indices = cupy.random.randint(0, data_size, crossover_size)
+            parent1_indices = cupy.random.randint(0, parent_pool_size, crossover_size)
+            parent2_indices = cupy.random.randint(0, parent_pool_size, crossover_size)
+            # Get parents directly from the sorted solutions array using the pool-sized indices
             d_parents1 = d_solutions[parent1_indices]
             d_parents2 = d_solutions[parent2_indices]
-            d_crossover_solutions = (d_parents1 + d_parents2) / 2.0
+            
+            # Blend Crossover (BLX-alpha)
+            alpha = options.blend_alpha
+
+            # Find min/max for all parent pairs
+            d_p_min = cupy.minimum(d_parents1, d_parents2)
+            d_p_max = cupy.maximum(d_parents1, d_parents2)
+
+            # Calculate range (I)
+            d_parent_range = d_p_max - d_p_min
+
+            # Calculate new min/max for the expanded range
+            d_new_min = d_p_min - (alpha * d_parent_range)
+            d_new_max = d_p_max + (alpha * d_parent_range)
+
+            # Create a new random child within the expanded range
+            d_crossover_solutions = cupy.random.uniform(d_new_min, d_new_max, crossover_size)
 
             # 3. Mutation
             # Select from the full list (indices 0 to data_size-1)

tests/test_polysolve.py

@@ -1,5 +1,6 @@
 import pytest
 import numpy as np
+import numpy.testing as npt
 
 # Try to import cupy to check for CUDA availability
 try:
@@ -101,7 +102,7 @@ def test_get_real_roots_numpy(quadratic_func):
     Tests that the NumPy-based genetic algorithm approximates the roots correctly.
     """
     # Using more generations for higher accuracy in testing
-    ga_opts = GA_Options(num_of_generations=50, data_size=200000, root_precision=3)
+    ga_opts = GA_Options(num_of_generations=50, data_size=200000, selection_percentile=0.66, root_precision=3)
     
     roots = quadratic_func.get_real_roots(ga_opts, use_cuda=False)
     
@@ -109,11 +110,7 @@ def test_get_real_roots_numpy(quadratic_func):
     # We don't know which order they'll be in, so we check for presence.
     expected_roots = np.array([-1.0, 2.5])
     
-    # Check that at least one found root is close to -1.0
+    npt.assert_allclose(np.sort(roots), np.sort(expected_roots), atol=1e-2)
-    assert np.any(np.isclose(roots, expected_roots[0], atol=1e-2))
-    
-    # Check that at least one found root is close to 2.5
-    assert np.any(np.isclose(roots, expected_roots[1], atol=1e-2))
 
 
 @pytest.mark.skipif(not _CUPY_AVAILABLE, reason="CuPy is not installed, skipping CUDA test.")
@@ -124,13 +121,12 @@ def test_get_real_roots_cuda(quadratic_func):
     It will be skipped automatically if CuPy is not available.
     """
     
-    ga_opts = GA_Options(num_of_generations=50, data_size=200000, root_precision=3)
+    ga_opts = GA_Options(num_of_generations=50, data_size=200000, selection_percentile=0.66, root_precision=3)
     
     roots = quadratic_func.get_real_roots(ga_opts, use_cuda=True)
     
     expected_roots = np.array([-1.0, 2.5])
     
     # Verify that the CUDA implementation also finds the correct roots within tolerance.
-    assert np.any(np.isclose(roots, expected_roots[0], atol=1e-2))
+    npt.assert_allclose(np.sort(roots), np.sort(expected_roots), atol=1e-2)
-    assert np.any(np.isclose(roots, expected_roots[1], atol=1e-2))