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A New Approach to High-Dimensional Stochastic Processes

Introducing a score-based solver for complex high-dimensional problems.

― 6 min read


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In scientific research, understanding complex systems often involves studying how things change over time. One way to do this is through equations that model these changes. One important type of equation for random processes is called the Fokker-Planck (FP) equation. This equation helps us understand how probabilities evolve in systems with random motion, like molecules in a gas or stock prices in finance.

However, when the number of dimensions increases-imagine having many variables to consider at once-these equations become very difficult to solve. This problem is often referred to as the "Curse Of Dimensionality." Solving these equations accurately in high dimensions is crucial for many practical applications in science and engineering.

While traditional methods, like grid-based calculations, can work for simple cases, they struggle with high dimensions. Two modern methods have shown promise in tackling this issue: Monte Carlo simulations and Physics-Informed Neural Networks (PINNs). However, both methods still face significant challenges when dealing with very high dimensions.

This article proposes a new way to solve these problems using a technique called a score-based solver. By focusing on the Score Function, we offer a new approach to fit equations connected with stochastic processes.

What is the Fokker-Planck Equation?

The Fokker-Planck equation describes how probabilities change over time in systems influenced by random processes. It has a wide range of applications, from physics to biology and finance. This equation helps researchers analyze the state of a system as it undergoes random fluctuations. For example, it can model how particles spread out in a gas over time or how stock prices are expected to behave in the market.

The equation itself represents a relationship between the probability distribution of a variable and how that distribution changes over time. With its roots in statistical mechanics, the FP equation has become a vital tool in various scientific fields.

The Challenge of High Dimensions

While the FP equation is powerful, it becomes increasingly complicated when the number of dimensions rises. As we add more variables, traditional methods to solve these equations become less effective. This is the curse of dimensionality in action. For instance, if we try to represent a probability distribution in a high-dimensional space using grid-based methods, the number of calculations needed grows exponentially.

Two methods have been tried to deal with the curse of dimensionality: Monte Carlo simulations and Physics-Informed Neural Networks (PINNs).

Monte Carlo Simulations

Monte Carlo simulations generate random samples to estimate the behavior of a system. In the context of the FP equation, they can provide approximations for the probability distribution of a system. The main idea is to simulate many random paths of the system and use these samples to derive estimates.

However, as the dimensions increase, the accuracy of these simulations often suffers. The values of probabilities can drop significantly in high dimensions, leading to numerical errors. Additionally, the process can be slow due to the large number of samples that need to be computed.

Physics-Informed Neural Networks (PINNs)

PINNs combine machine learning with physical principles to solve equations. They use neural networks to approximate solutions to differential equations, learning from both the equations themselves and available data.

While PINNs can be effective, they also face issues related to high dimensions. When the number of dimensions increases, the errors in PINN solutions can grow quickly, making them unreliable.

Introducing the Score-Based Solver

To address the challenges presented by high-dimensional systems, we propose a score-based solver. The score function is the gradient of the log-likelihood, which represents how likely different states are in the system. By focusing on this score function, we aim to make simulations more efficient and accurate.

How the Score Function Works

The score function helps us understand how probabilities change without needing to work directly with the probabilities themselves. It allows for a more stable approach to modeling high-dimensional systems. When we know the score function, we can derive the log-likelihood and the probability distribution from it.

This method shows promise for efficiently sampling from the system without the need for extensive computational resources.

The Approach in Two Stages

Our score-based solver operates in two main stages:

  1. Fitting the Score Function: We can obtain the score function through various methods, such as Score Matching or Score-PINN. By fitting the score function accurately, we set the foundation for the next stage.

  2. Solving for the Log-Likelihood: Once we have the score function, we can compute the log-likelihood using ordinary differential equations.

Methods for Fitting the Score Function

We introduce three methods to fit the score function: Score Matching (SM), Sliced Score Matching (SSM), and Score-PINN. Each method offers unique advantages in terms of speed, accuracy, and general applicability.

Score Matching (SM)

In this method, we aim to directly minimize the difference between the estimated score function and the true score function. It is simple and efficient, making it a good choice for many cases.

Sliced Score Matching (SSM)

This method is designed to be more general and does not require information about the underlying distribution. It allows us to estimate the score function even when the direct conditional score is hard to compute.

Score-PINN

Score-PINN leverages the strengths of PINNs while focusing on the score function. By using the score function in its calculations, it can achieve greater accuracy, especially in complex cases.

Evaluating the Score-Based Solver

To demonstrate the effectiveness of our proposed score-based solver, we conducted a series of experiments using various stochastic differential equations (SDEs) and probability distributions. These experiments were designed to test the stability and speed of our method under different conditions.

Experimental Setup

The experiments involved testing the score-based solver on different SDEs, including variants of the Ornstein-Uhlenbeck process, geometric Brownian motion, and systems with varying eigenspaces. We also examined various probability distributions, such as Gaussian, Log-normal, Laplace, and Cauchy distributions.

Results and Findings

Across all tested scenarios, the score-based solver demonstrated stability and speed. The results showed that the proposed method could effectively handle high dimensions, with computational costs growing linearly rather than exponentially. Score-PINN particularly excelled in maintaining accuracy as dimensions increased.

Conclusion

The challenges associated with high-dimensional stochastic systems and their corresponding Fokker-Planck Equations are significant. Traditional methods struggle to provide reliable solutions in these scenarios. However, this research presents a promising new approach through the use of a score-based solver. By focusing on the score function, we can efficiently estimate log-likelihoods and probability distributions without the numerical issues faced by existing methods.

In summary, our findings indicate that this new technique not only addresses the challenges posed by high dimensionality but also opens up new avenues for future research. The score-based solver could pave the way for more accurate and efficient modeling of complex systems across various scientific and engineering fields.

Original Source

Title: Score-Based Physics-Informed Neural Networks for High-Dimensional Fokker-Planck Equations

Abstract: The Fokker-Planck (FP) equation is a foundational PDE in stochastic processes. However, curse of dimensionality (CoD) poses challenge when dealing with high-dimensional FP PDEs. Although Monte Carlo and vanilla Physics-Informed Neural Networks (PINNs) have shown the potential to tackle CoD, both methods exhibit numerical errors in high dimensions when dealing with the probability density function (PDF) associated with Brownian motion. The point-wise PDF values tend to decrease exponentially as dimension increases, surpassing the precision of numerical simulations and resulting in substantial errors. Moreover, due to its massive sampling, Monte Carlo fails to offer fast sampling. Modeling the logarithm likelihood (LL) via vanilla PINNs transforms the FP equation into a difficult HJB equation, whose error grows rapidly with dimension. To this end, we propose a novel approach utilizing a score-based solver to fit the score function in SDEs. The score function, defined as the gradient of the LL, plays a fundamental role in inferring LL and PDF and enables fast SDE sampling. Three fitting methods, Score Matching (SM), Sliced SM (SSM), and Score-PINN, are introduced. The proposed score-based SDE solver operates in two stages: first, employing SM, SSM, or Score-PINN to acquire the score; and second, solving the LL via an ODE using the obtained score. Comparative evaluations across these methods showcase varying trade-offs. The proposed method is evaluated across diverse SDEs, including anisotropic OU processes, geometric Brownian, and Brownian with varying eigenspace. We also test various distributions, including Gaussian, Log-normal, Laplace, and Cauchy. The numerical results demonstrate the score-based SDE solver's stability, speed, and performance across different settings, solidifying its potential as a solution to CoD for high-dimensional FP equations.

Authors: Zheyuan Hu, Zhongqiang Zhang, George Em Karniadakis, Kenji Kawaguchi

Last Update: 2024-02-12 00:00:00

Language: English

Source URL: https://arxiv.org/abs/2402.07465

Source PDF: https://arxiv.org/pdf/2402.07465

Licence: https://creativecommons.org/licenses/by/4.0/

Changes: This summary was created with assistance from AI and may have inaccuracies. For accurate information, please refer to the original source documents linked here.

Thank you to arxiv for use of its open access interoperability.

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