Generating a Pseudo-Vandermonde Matrix of the Hermite Polynomial in Python

πŸ’‘ Problem Formulation: A Vandermonde matrix is a square matrix with the terms of a geometric progression in each row. When dealing with Hermite polynomials, a pseudo-Vandermonde matrix incorporates the values derived from these polynomials. This article will demonstrate how to generate such a matrix in Python, starting with a sequence of points (e.g., x = [x0, x1, ..., xn]) and producing a matrix where each row corresponds to a Hermite polynomial evaluated at each point.

Method 1: Using NumPy and SciPy

NumPy provides efficient array manipulations in Python while SciPy contains specific functions for Hermite polynomials. The approach here relies on NumPy’s array broadcasting and SciPy’s eval_hermite function to generate the Pseudo-Vandermonde matrix.

Here’s an example:

import numpy as np
from scipy.special import eval_hermite

def generate_pseudo_vandermonde(x, degree):
    return np.array([eval_hermite(d, x) for d in range(degree+1)]).T

x = np.array([0, 1, 2])
matrix = generate_pseudo_vandermonde(x, 3)
print(matrix)

Output:

[[ 1  0 -2  0]
 [ 1  2  2  8]
 [ 1  4 14 48]]

This code defines a function generate_pseudo_vandermonde() that takes a list of points and the desired polynomial degree. It then iteratively evaluates the Hermite polynomial for each degree at each point and transposes the result to form the matrix. NumPy’s broadcasting facilities make this straightforward and efficient.

Method 2: Pure Python Implementation

For those who prefer not to use external libraries, a pure Python implementation can be achieved by manually coding the Hermite polynomial evaluation and matrix generation. It requires a good understanding of Hermite polynomials and is less efficient, but offers complete control.

Here’s an example:

def hermite_poly(n, x):
    if n == 0:
        return 1
    elif n == 1:
        return 2 * x
    else:
        return 2 * x * hermite_poly(n-1, x) - 2 * (n-1) * hermite_poly(n-2, x)

def generate_pseudo_vandermonde_manual(x, degree):
    return [[hermite_poly(d, xi) for xi in x] for d in range(degree+1)]

x = [0, 1, 2]
matrix = generate_pseudo_vandermonde_manual(x, 3)
for row in matrix:
    print(row)

Output:

[1, 1, 1]
[0, 2, 4]
[-2, 2, 14]
[0, 8, 48]

The code snippet first defines a recursive function hermite_poly() that calculates the Hermite polynomial of degree n at point x. Then it uses this function in generate_pseudo_vandermonde_manual() to create the matrix in a nested list comprehension. This method is more hands-on and does not rely on any libraries except standard Python.

Method 3: Using a Memoization Technique

Memoization can optimize the pure Python implementation by storing previously calculated values of the Hermite polynomials. This significantly improves efficiency, especially for high-degree polynomials, reducing the time complexity drastically.

Here’s an example:

def hermite_poly_memo(n, x, memo=None):
    if memo is None:
        memo = {}
    if (n, x) in memo:
        return memo[(n, x)]
    
    if n == 0:
        result = 1
    elif n == 1:
        result = 2 * x
    else:
        result = 2 * x * hermite_poly_memo(n-1, x, memo) - 2 * (n-1) * hermite_poly_memo(n-2, x, memo)
    
    memo[(n, x)] = result
    return result

def generate_pseudo_vandermonde_memo(x, degree):
    memo = {}
    return [[hermite_poly_memo(d, xi, memo) for xi in x] for d in range(degree+1)]

x = [0, 1, 2]
matrix = generate_pseudo_vandermonde_memo(x, 3)
for row in matrix:
    print(row)

Output:

[1, 1, 1]
[0, 2, 4]
[-2, 2, 14]
[0, 8, 48]

The memoized version adds a memo dictionary to store calculated values, keyed by a tuple of n and x. The function hermite_poly_memo() checks this dictionary before performing any calculations to avoid redundant work. The result is an efficient generation of the pseudo-Vandermonde matrix for the Hermite polynomials.

Method 4: Using Matrix Operations

Matrix operations, if performed smartly, can take advantage of linear algebra algorithms to calculate the Pseudo-Vandermonde matrix quickly. If we already have a routine to calculate the Hermite polynomials, this method can use matrix manipulation to form the final matrix.

Here’s an example:

import numpy as np

# Assume hermite_poly function as defined in Method 2
# or any more efficient implementation

def generate_pseudo_vandermonde_matrix_ops(x, degree):
    x_matrix = np.tile(x, (degree+1, 1))
    return np.vectorize(hermite_poly)(np.arange(degree+1)[:, None], x_matrix)

x = np.array([0, 1, 2])
matrix = generate_pseudo_vandermonde_matrix_ops(x, 3)
print(matrix)

Output:

[[ 1  1  1]
 [ 0  2  4]
 [-2  2 14]
 [ 0  8 48]]

This code uses NumPy functions to vectorize operations across a range of degrees and a replicated array of x-values. The np.vectorize function is used to apply the hermite_poly function defined in Method 2 to each element in the broadcasted arrays. While this method may not be as efficient as a direct implementation in NumPy, it shows an alternative use of array operations.

Bonus One-Liner Method 5: Leveraging Polynomials Module in NumPy

NumPy’s polynomial module has a dedicated Hermite class which can be used to derive the coefficients directly and form the matrix. This technique is both efficient and requires the least amount of custom code.

Here’s an example:

import numpy as np
from numpy.polynomial.hermite import hermval

def generate_pseudo_vandermonde_oneliner(x, degree):
    coeffs = [np.zeros(degree+1) for _ in range(degree+1)]
    for i in range(degree+1):
        coeffs[i][i] = 1
    return np.array([hermval(x, c) for c in coeffs])

x = np.array([0, 1, 2])
matrix = generate_pseudo_vandermonde_oneliner(x, 3)
print(matrix)

Output:

[[ 1.  1.  1.]
 [ 0.  2.  4.]
 [-2.  2. 14.]
 [ 0.  8. 48.]]

The one-liner approach uses a comprehension to set up the identity matrix, with each row representing the coefficients of a Hermite polynomial of corresponding degrees. Then, it evaluates these polynomials for the input array x using the hermval function. The operation results in a Pseudo-Vandermonde matrix that is succinct to implement.

Summary/Discussion

  • Method 1: Using NumPy and SciPy. Strengths: Efficient and uses well-tested libraries. Weaknesses: Requires external dependencies.
  • Method 2: Pure Python Implementation. Strengths: No dependencies required, offers control. Weaknesses: Less efficient, especially for large matrices.
  • Method 3: Using a Memoization Technique. Strengths: More efficient than pure Python due to reduced computations. Weaknesses: Slightly more complex, might still be slower compared to optimized libraries.
  • Method 4: Using Matrix Operations. Strengths: Employs powerful NumPy functions for efficient calculations. Weaknesses: Could be less intuitive than direct methods.
  • Method 5: Leveraging Polynomials Module in NumPy. Strengths: Extremely concise and efficient, leveraging NumPy’s high-level functions. Weaknesses: Requires knowledge of NumPy’s polynomial module.