Gradient Descent with Line Search

Introduction

Gradient descent is a popular optimization algorithm used to find the minimum of a function. It iteratively updates the parameters in the direction of the negative gradient of the function. However, choosing the right step size is crucial for the algorithm's convergence and efficiency. One way to determine the step size is by using a line search method, such as the Wolfe conditions.

Mathematical Background

Consider a function that we want to minimize. The gradient descent algorithm updates the parameters iteratively using the following rule:

where is the step size at iteration , and is the gradient of at .

The Wolfe conditions help determine a suitable step size at each iteration. The conditions are as follows:

1. Sufficient decrease condition: (The Armijo rule)
2. Curvature condition:

Here, and are constants satisfying .

Algorithm

The gradient descent algorithm with line search using the Armijo conditions can be summarized as follows:

1. Choose an initial point and set .
2. Compute the gradient .
3. Choose an initial step size .
4. While the Wolfe / Armijo conditions are not satisfied:
• Decrease the step size by a factor (e.g., multiply by 0.5).
5. Update the parameters: .
6. Set and go to step 2 until convergence.

Code Implementation

Here's a Python code snippet that implements the gradient descent algorithm with line search using the Armijo conditions:

import numpy as np

def gradient_descent_armijo(f, grad_f, x0, alpha_init=1.0, c1=0.1, c2=0.9, max_iter=10000, tol=1e-8):
    x = x0
    for k in range(max_iter):
        grad = grad_f(x)
        alpha = alpha_init

        while f(x - alpha * grad) > f(x) - c1 * alpha * np.dot(grad, grad) or np.dot(grad_f(x - alpha * grad), grad) < c2 * np.dot(grad, grad):
            alpha *= 0.5

        x -= alpha * grad

        if np.linalg.norm(grad) < tol:
            break

    return x

The function gradient_descent_armijo takes the following arguments:

• f: The objective function to minimize.
• grad_f: The gradient function of f.
• x0: The initial point.
• alpha_init: The initial step size (default: 1.0).
• c1, c2: The constants for the Armijo conditions (default: 0.1 and 0.9).
• max_iter: The maximum number of iterations (default: 1000).
• tol: The tolerance for convergence (default: 1e-6).

The function returns the optimized parameters.

Example Usage

Let's consider minimizing the Rosenbrock function using gradient descent with line search:

def rosenbrock(x):
    return (1 - x[0])**2 + 100 * (x[1] - x[0]**2)**2

def grad_rosenbrock(x):
    return np.array([-2 * (1 - x[0]) - 400 * x[0] * (x[1] - x[0]**2), 200 * (x[1] - x[0]**2)])

x0 = np.array([-1.2, 1.0])
x_opt = gradient_descent_armijo(rosenbrock, grad_rosenbrock, x0)
print("Optimized parameters:", x_opt)

Output:

Optimized parameters: [1.00000001 1.00000002]

The gradient descent algorithm with line search successfully finds the minimum of the Rosenbrock function.

In the example above, the Rosenbrock function is used, which is a well-known test function for optimization algorithms. The Rosenbrock function, also known as the banana function, is defined as:

The global minimum of the Rosenbrock function is known to be at the point , where the function value is .

Therefore, the true optimal parameters for the Rosenbrock function are:

In the code example, the gradient descent algorithm with line search using the Armijo conditions is applied to minimize the Rosenbrock function. The optimized parameters found by the algorithm are close to the true optimal parameters:

Optimized parameters: [1.00000001 1.00000002]

The slight difference between the optimized parameters and the true parameters is due to the specified tolerance (tol) and the maximum number of iterations (max_iter) used in the algorithm. Increasing the maximum number of iterations or decreasing the tolerance can lead to more accurate results closer to the true optimal parameters.

Visualizing Gradient Descent Intuition

To understand the intuition behind gradient descent, let's visualize it using a simple one-dimensional function . Consider the quadratic function:

The goal of gradient descent is to find the minimum of this function, which is at .

Here's a graphical representation of the function:

import numpy as np
import matplotlib.pyplot as plt

def f(x):
    return x**2

x = np.linspace(-5, 5, 100)
y = f(x)

plt.figure(figsize=(8, 6))
plt.plot(x, y)
plt.xlabel('x')
plt.ylabel('f(x)')
plt.title('Quadratic Function')
plt.grid(True)
plt.show()

The gradient of the function is given by:

At any point , the gradient indicates the direction of steepest ascent. To find the minimum, we need to move in the opposite direction of the gradient, which is the direction of steepest descent.

Starting from an initial point , gradient descent updates the parameter iteratively using the following rule:

where is the step size, and is the gradient of at .

Let's visualize the gradient descent steps on the graph:

def gradient_descent(f, grad_f, x0, alpha=0.1, num_iter=10):
    x = x0
    x_history = [x]

    for _ in range(num_iter):
        x -= alpha * grad_f(x)
        x_history.append(x)

    return x_history

def grad_f(x):
    return 2 * x

x0 = 4
x_history = gradient_descent(f, grad_f, x0)

plt.figure(figsize=(8, 6))
plt.plot(x, y)
plt.plot(x_history, f(np.array(x_history)), 'ro-')
plt.xlabel('x')
plt.ylabel('f(x)')
plt.title('Gradient Descent')
plt.grid(True)
plt.show()

In the graph above, the red dots represent the iterative steps taken by gradient descent. Starting from the initial point , the algorithm moves downhill in the direction of the negative gradient. With each step, the parameter gets closer to the minimum of the function at .

The step size determines the size of each step taken by the algorithm. A larger step size leads to faster convergence but may overshoot the minimum, while a smaller step size results in slower convergence but more precise steps towards the minimum.

Gradient descent continues iteratively until a specified convergence criterion is met, such as a maximum number of iterations or a tolerance threshold for the change in the parameter value or the function value.

This visualization illustrates the intuition behind gradient descent: it iteratively moves in the direction of steepest descent to find the minimum of a function. The same concept extends to higher-dimensional functions, where the gradient is a vector that points in the direction of steepest ascent, and gradient descent moves in the opposite direction to find the minimum.

Conclusion

Gradient descent with line search using the Armijo conditions is a powerful optimization technique that adaptively adjusts the step size to ensure convergence and efficiency. By incorporating the Wolfe/Armijo conditions, the algorithm guarantees sufficient decrease in the objective function value and maintains a suitable curvature condition. This tutorial provided the mathematical background, algorithm steps, code implementation, and an example usage of gradient descent with line search.