Nesterov's Accelerated Gradient Flow Method for Block Copolymer Systems

ABSTRACT Minimizers of phase‐field models are commonly computed by evolving gradient‐flow dynamics, such as , , or Wasserstein gradient flows, toward equilibrium. However, phase‐field energies often possess complicated energy landscapes, and the corresponding relaxation dynamics may involve long‐time, multi‐stage evolution. In many applications, the main objective is to identify the self‐assembled equilibrium morphology, rather than to resolve the entire dynamical pathway leading to it. In such cases, direct simulation of the underlying gradient flow can be unnecessarily expensive. Motivated by this observation, we introduce a Nesterov accelerated gradient flow framework for phase‐field models of block copolymer systems and develop corresponding Nesterov accelerated gradient descent schemes. We prove that a modified energy dissipation law, held at the continuous level, is inherited by the proposed discrete schemes. We further compare the accelerated scheme with a BDF2 discretization of the gradient flow. Numerical experiments show that the proposed Nesterov accelerated gradient descent scheme reduces the computational cost by a factor of approximately six, while retaining accuracy comparable to classical gradient‐flow solvers.

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Publication Details

Journal
Numerical Methods for Partial Differential Equations
Published
2026-06-29
DOI
https://doi.org/10.1002/num.70117
Primary Topic
Block Copolymer Self-Assembly
Type
article
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article

Nesterov's Accelerated Gradient Flow Method for Block Copolymer Systems

Wangbo Luo, Yanxiang Zhao
Numerical Methods for Partial Differential Equations
Block Copolymer Self-Assembly
article

Nesterov's Accelerated Gradient Flow Method for Block Copolymer Systems

Wangbo Luo, Yanxiang Zhao
article en

Abstract

ABSTRACT Minimizers of phase‐field models are commonly computed by evolving gradient‐flow dynamics, such as , , or Wasserstein gradient flows, toward equilibrium. However, phase‐field energies often possess complicated energy landscapes, and the corresponding relaxation dynamics may involve long‐time, multi‐stage evolution. In many applications, the main objective is to identify the self‐assembled equilibrium morphology, rather than to resolve the entire dynamical pathway leading to it. In such cases, direct simulation of the underlying gradient flow can be unnecessarily expensive. Motivated by this observation, we introduce a Nesterov accelerated gradient flow framework for phase‐field models of block copolymer systems and develop corresponding Nesterov accelerated gradient descent schemes. We prove that a modified energy dissipation law, held at the continuous level, is inherited by the proposed discrete schemes. We further compare the accelerated scheme with a BDF2 discretization of the gradient flow. Numerical experiments show that the proposed Nesterov accelerated gradient descent scheme reduces the computational cost by a factor of approximately six, while retaining accuracy comparable to classical gradient‐flow solvers.

Numerical Methods for Partial Differential EquationsVol. 42(4)
Hong Kong Polytechnic University (HK), George Washington University (US)
Affordable and clean energy
Openalex Percentile: Top 16%
Block Copolymer Self-Assembly
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