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Zhangyong Liang

Publications and source records attributed to Zhangyong Liang.

16 recordsLinked to original sources
arXiv2026

Energy Manifold Natural Gradient Descent: Riemannian Optimization for Neural PDE Solvers

Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain. We introduce \EMNGDfull{}, a manifold optimization framework for physics-informed and variational neural PDE solvers whose parameters lie on a Riemannian manifold. EMNGD restricts the energy-induced quadratic model to feasible tangent directions and uses retractions to preserve parameter constraints throughout optimization. Under coercivity, we prove that the push-forward of the undamped EMNGD direction is the best feasible approximation to the function-space Newton vector in the energy metric. We establish coordinate invariance, exact reduction to ENGD in Euclidean space, global first-order convergence with Armijo backtracking, and robustness to inexact tangent solves. For quadratic residual energies and generalized Gauss--Newton pullbacks, the Woodbury identity transfers the tangent system to sample space without changing the direction. Nyström approximation provides scalable sample-space solves with controlled direction error and recovers the exact direction after iterative convergence. On the evaluated neural PDE benchmarks, EMNGD achieves higher accuracy and faster convergence than the compared state-of-the-art baselines. Woodbury preserves the EMNGD direction, while scalable-solver diagnostics quantify the accuracy--cost trade-off of preconditioning and residual subsampling.

cs.LG↗
arXiv2026

Disentangled Latent Dynamics Manifold Fusion for Solving Parameterized PDEs

Generalizing neural surrogate models across different PDE parameters remains difficult because changes in PDE coefficients often make learning harder and optimization less stable. The problem becomes even more severe when the model must also predict beyond the training time range. Existing methods usually cannot handle parameter generalization and temporal extrapolation at the same time. Standard parameterized models treat time as just another input and therefore fail to capture intrinsic dynamics, while recent continuous-time latent methods often rely on expensive test-time auto-decoding for each instance, which is inefficient and can disrupt continuity across the parameterized solution space. To address this, we propose Disentangled Latent Dynamics Manifold Fusion (DLDMF), a physics-informed framework that explicitly separates space, time, and parameters. Instead of unstable auto-decoding, DLDMF maps PDE parameters directly to a continuous latent embedding through a feed-forward network. This embedding initializes and conditions a latent state whose evolution is governed by a parameter-conditioned Neural ODE. We further introduce a dynamic manifold fusion mechanism that uses a shared decoder to combine spatial coordinates, parameter embeddings, and time-evolving latent states to reconstruct the corresponding spatiotemporal solution. By modeling prediction as latent dynamic evolution rather than static coordinate fitting, DLDMF reduces interference between parameter variation and temporal evolution while preserving a smooth and coherent solution manifold. As a result, it performs well on unseen parameter settings and in long-term temporal extrapolation. Experiments on several benchmark problems show that DLDMF consistently outperforms state-of-the-art baselines in accuracy, parameter generalization, and extrapolation robustness.

cs.LG↗
arXiv2026

Neural Dynamic Data Valuation via Stochastic State-Adjoint Trajectories

Classical data valuation defines a data point's value through the finite marginal contribution $U(C\cup\{i\})-U(C)$, but estimating this quantity over coalitions requires repeated training and does not describe the contribution made along a stochastic training path. We ask whether marginal contributions of data points can be estimated from one coupled trajectory while retaining a verifiable relation to coalition-based values. To this end, we introduce Neural Dynamic Data Valuation (NDDV), which models each data point as a controlled stochastic state and computes a first-order marginal-contribution score via the adjoint equation of the Stochastic Maximum Principle (SMP). This raw sensitivity is then calibrated by a mass-preserving redistribution that increases one data point's participation while redistributing the same total weight over the remaining data points. We prove that the resulting backward adjoint recursion is the exact reverse-mode adjoint of the frozen-aggregate Euler system, bound its discrepancy from the mean-field sensitivity, and express each finite coalition marginal as an integral of local sample-weight sensitivities. These results yield pair-specific error bounds and sufficient conditions for ordering agreement with Shapley, Banzhaf, and leave-one-out values. Experiments on existing benchmarks evaluate marginal-contribution fidelity, score-release cost, corrupted-sample detection, ablations, and failure regimes. NDDV is a one-run, trajectory-conditioned estimator, not an unconditional replacement for cooperative-game values.

stat.ML↗
arXiv2026

Interface-Aware Neural Newton Preconditioning for Robust Cohesive Zone Model Simulations

Cohesive Zone Models (CZMs) are widely used to simulate interface fracture, delamination, adhesive failure, and fiber--matrix debonding in aerospace composite structures. In implicit quasi-static finite element analyses, cohesive softening may introduce negative interface tangents, solution jumps, and Newton-basin mismatch, so the previous converged state can become a poor initial guess for the next increment. This may lead to stagnation, wrong-branch convergence, or repeated step cuts. Existing remedies, including viscous regularization, path following, dynamic relaxation, and manual Newton--Raphson (NR) modification, either alter the effective response, increase cost, or rely on hand-crafted interface rules. This work proposes an Interface-Aware Neural Newton Preconditioner (IA-NNP) for difficult CZM increments. IA-NNP recasts manual NR modification as rule-based interface lifting and generalizes it into a learned, state-dependent interface correction. The method acts only on active interface variables and preserves the original traction--separation law, residual assembly, tangent evaluation, history update, and dissipation checks. Two realizations are developed: IA-NNP-Init for learned initial-guess lifting and IA-NNP-NL for iteration-level nonlinear right preconditioning. Interface graph features encode opening, traction, tangent, damage/history variables, mode mixity, residuals, and neighboring states. The correction is bounded, confidence-gated, and accepted only through the original CZM Newton solve. A root-equivalence property shows that IA-NNP changes the path to convergence but not the discrete CZM solution set. Tests on horizontal, circular, two-interface, and active-front benchmarks show improved difficult-increment convergence, better branch recovery, and fewer failures than standard NR and manual NR modification, while preserving the force--displacement response.

cs.LG↗
arXiv2026

Hybrid Iterative Neural Low-Regularity Integrator for Nonlinear Dispersive Equations

We propose HIN-LRI, a hybrid framework that augments a classical numerical solver with a neural operator trained to correct the solver's structured truncation error. A base low-regularity integrator provides a consistent first-order approximation to nonlinear dispersive PDEs, while a lightweight neural network, operating on a low-dimensional latent manifold, learns the residual defect that analytical methods cannot close. An explicit time-step scaling on the neural correction ensures that its Lipschitz contribution remains $\mathcal{O}(τ)$, yielding a Gronwall stability factor bounded uniformly in the step size and independent of the spatial resolution. The network is trained end-to-end through a solver-in-the-loop objective that unrolls the full iteration and penalises trajectory error in a Bourgain-type norm, aligning learning with multi-step solver dynamics rather than isolated one-step targets. Under stated assumptions, the global error satisfies $C(\varepsilon_{net}+δ)\,τ^γ\ln(1/τ)$, where $\varepsilon_{net}$ measures the network approximation quality and $δ$ the training shortfall. Experiments on three dispersive benchmarks with rough data show that HIN-LRI improves accuracy over analytical integrators, splitting methods, and neural PDE surrogates, with stable spatial refinement, effective out-of-distribution transfer, and modest online overhead.

cs.LG↗
arXiv2026

Categorical Optimization with Bayesian Anchored Latent Trust Regions for Structural Design under High-Dimensional Uncertainty

Categorical structural optimization under aleatoric uncertainty is challenging because each design variable must be selected from a finite catalog of admissible instances, while each candidate design may require expensive stochastic finite-element evaluations. Existing latent-space optimization strategies can reduce the dimensionality of catalog attributes, but they often treat the reduced space as a continuous search domain. The resulting continuous optimum must then be rounded off to a nearby catalog instance, which may alter the objective value, constraint status, or physical interpretation of the design. To address this issue, this paper proposes the \textbf{C}ategorical \textbf{O}ptimization with \textbf{B}ayesian \textbf{A}nchored \textbf{L}atent \textbf{T}rust Regions (\textbf{COBALT}) framework for high-dimensional categorical Optimization Under Uncertainty. COBALT first embeds the physical catalog into a low-dimensional latent representation and locks the mapped instances as a discrete anchored graph. A data-independent random tree decomposition is then used to provide bounded-complexity additive modeling over high-dimensional categorical variables. On this anchored domain, an additive SAAS-GP surrogate is fitted to heteroscedastic MC-FEA observations, and a trust-region discrete graph acquisition search selects the next admissible catalog configuration without continuous relaxation or rounding-off. The proposed strategy is applied to robust design optimization of complex bar structures, considering structural weight, strain energy, and local buckling performance. By evaluating only valid catalog designs through the MC-FEA oracle, COBALT preserves physical admissibility throughout the active learning loop and improves the efficiency of robust categorical structural optimization.

cs.LG↗
arXiv2026

Stochastic Dimension Implicit Functional Projections for Global Integral Conservation in High-Dimensional PINNs

Enforcing prescribed global integral constraints in mesh-free neural PDE solvers is challenging in high-dimensional domains. Existing projection methods for spatial integrals are often tied to fixed grids or uniform quadrature, which can conflict with randomly sampled physics-informed neural networks (PINNs) and scale poorly with dimension. High-order differential operators also increase reverse-mode automatic differentiation memory costs. We propose Stochastic Dimension Implicit Functional Projection (SDIFP), a quadrature-level framework for enforcing prescribed first and second spatial moments. SDIFP replaces tensor-product nodal projection by a global affine correction of the neural-network output, with two scalar coefficients determined from a weighted quadrature rule. Under positive target variance and nonzero empirical raw variance, this correction is the nearest-point projection, in the weighted quadrature norm, onto the empirical two-moment constraint set. Thus, the prescribed moments are exact for the selected quadrature rule, while continuum errors are quadrature errors of the corrected field. For decomposable high-dimensional linear operators, SDIFP combines affine moment correction with stochastic operator-subset sampling. With independent residual and derivative sampling and conditionally unbiased coefficient-gradient estimation, the resulting estimator is unbiased for the specified quadrature-based residual objective; the shared-subset fast mode is biased in general. SDIFP avoids tensor-product quadrature for moment enforcement, separates forward quadrature evaluation from the reverse-mode graph, and retains pointwise inference efficiency once the affine coefficients are fixed or precomputed.

cs.LG↗
arXiv2026

Parameterized Representations via Implicit Stochastic Modulation for High-Dimensional and High-Order Neural PDE Solvers

Solving high-dimensional and high-order PDEs is challenged by the coupled growth of spatial dimensionality and derivative order. Recent stochastic derivative estimators reduce this cost by replacing full derivative tensors with randomized dimension or Taylor estimators, but they are mostly designed for fixed physical parameters and require retraining for each new parameter. We show that direct conditional parameterization of such solvers entangles physical parameters with the high-order automatic differentiation graph, causing extra memory growth and parameter-induced variance amplification. We propose Parameterized Representations via Implicit Stochastic Modulation (PRISM), a plug-and-play framework for parameterized high-dimensional and high-order stochastic neural PDE solvers. PRISM uses a hyper-generator to map physical parameters to affine modulators that scale and shift a purely spatial latent manifold, while keeping parameter branches value-connected but spatial-tangent-disconnected. This design preserves unbiased stochastic dimension and Taylor estimators, removes the parameter encoder from high-order spatial AD, and provides a variance-aware Lipschitz envelope over the parameter space. We prove parameterized unbiasedness, estimation-error bounds, and convergence under bounded stochastic variance. Experiments with PRISM-STDE and PRISM-SDGD on nonlinear parameterized PDEs show stable zero-shot generalization, reduced memory usage, and scalability up to 100,000 dimensions on a single GPU, with efficient low-rank SVD adaptation for unseen parameters.

cs.LG↗
arXiv2026

Neural Multiscale Decomposition for Solving The Nonlinear Klein-Gordon Equation with Time Oscillation

In this paper, we propose a neural multiscale decomposition method (NeuralMD) for solving the nonlinear Klein-Gordon equation (NKGE) with a dimensionless parameter $\varepsilon\in(0,1]$ from the relativistic regime to the nonrelativistic limit regime. The solution of the NKGE propagates waves with wavelength at $O(1)$ and $O(\varepsilon^2)$ in space and time, respectively, which brings the oscillation in time. Existing collocation-based methods for solving this equation lead to spectral bias and propagation failure. To mitigate the spectral bias induced by high-frequency time oscillation, we employ a multiscale time integrator (MTI) to absorb the time oscillation into the phase. This decomposes the NKGE into a nonlinear Schrödinger equation with wave operator (NLSW) with well-prepared initial data and a remainder equation with small initial data. As $\varepsilon \to 0$, the NKGE converges to the NLSW at rate $O(\varepsilon^{2})$, and the contribution of the remainder equation becomes negligible. Furthermore, to alleviate propagation failure caused by medium-frequency time oscillation, we propose a gated gradient correlation correction strategy to enforce temporal coherence in collocation-based methods. As a result, the approximation of the remainder term is no longer affected by propagation failure. Comparative experiments with existing collocation-based methods demonstrate the superior performance of our method for solving the NKGE with various regularities of initial data over the whole regime.

math.NA↗
arXiv2026

SpatioTemporal Causal Network Diagnostics for Geographic Tipping Point Early Warning

Geographic tipping points in ecosystems, climate subsystems, or ice sheets pose severe challenges for localized early warning. Classical spatial indicators such as Moran's I summarize global spatial structure, but they struggle with three issues: spatial dilution, Euclidean assumptions, and correlated noise. This paper introduces SpatioTemporal Causal Network Diagnostics (ST-CND), a framework that addresses these three issues by representing the geographic field as a time-evolving directed causal network. The core workflow is as follows: (1) infer which spatial nodes help predict other nodes via transfer entropy, replacing fixed Euclidean neighborhoods with data-driven information-flow topology; (2) estimate local recovery rates within each candidate subnetwork via dynamic mode decomposition; and (3) identify the most vulnerable subnetwork by combining three signals, namely high internal fluctuation, high internal synchronization, and low external coupling, thereby suppressing false alarms from spatially correlated noise. Validated on synthetic bifurcations and two observational sea-surface temperature benchmarks, namely Indo-Pacific SST and North Atlantic AMOC, ST-CND delivers localized and interpretable warnings. On the AMOC task, it achieves an AUROC of 0.783 and a critical-subnetwork IoU of 0.378, outperforming recurrence-network and lambda-AR1 baselines. The framework provides an interpretable and scalable pipeline for spatial early warning in Earth system science.

cs.LG↗
arXiv2026

Manifold-Orthogonal Dual-spectrum Extrapolation for Parameterized Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have achieved notable success in modeling dynamical systems governed by partial differential equations (PDEs). To avoid computationally expensive retraining under new physical conditions, parameterized PINNs (P$^2$INNs) commonly adapt pre-trained operators using singular value decomposition (SVD) for out-of-distribution (OOD) regimes. However, SVD-based fine-tuning often suffers from rigid subspace locking and truncation of important high-frequency spectral modes, limiting its ability to capture complex physical transitions. While parameter-efficient fine-tuning (PEFT) methods appear to be promising alternatives, applying conventional adapters such as LoRA to P$^2$INNs introduces a severe Pareto trade-off, as additive updates increase parameter overhead and disrupt the structured physical manifolds inherent in operator representations. To address these limitations, we propose Manifold-Orthogonal Dual-spectrum Extrapolation (MODE), a lightweight micro-architecture designed for physics operator adaptation. MODE decomposes physical evolution into complementary mechanisms including principal-spectrum dense mixing that enables cross-modal energy transfer within frozen orthogonal bases, residual-spectrum awakening that activates high-frequency spectral components through a single trainable scalar, and affine Galilean unlocking that explicitly isolates spatial translation dynamics. Experiments on challenging PDE benchmarks including the 1D Convection--Diffusion--Reaction equation and the 2D Helmholtz equation demonstrate that MODE achieves strong out-of-distribution generalization while preserving the minimal parameter complexity of native SVD and outperforming existing PEFT-based baselines.

cs.LG↗
arXiv2026

Conflict-Aware Harmonized Rotational Gradient for Multiscale Kinetic Regimes

In this paper, we propose a harmonized rotational gradient method, termed HRGrad, for simultaneously tackling multiscale time-dependent kinetic problems with varying small parameters. These parameters exhibit asymptotic transitions from microscopic to macroscopic physics, making it a challenging multi-task problem to solve over all ranges simultaneously. Solving tasks in different asymptotic regions often encounter gradient conflicts, which can lead to the failure of multi-task learning. To address this challenge, we explicitly encode a hidden representation of these parameters, ensuring that the corresponding solving tasks are serialized for simultaneous training. Furthermore, to mitigate gradient conflicts, we segment the prediction results to construct task losses and introduce a novel gradient alignment metric to ensure a positive dot product between the final update and each loss-specific gradient. This metric maintains consistent optimization rates for all task losses and dynamically adjusts gradient magnitudes based on conflict levels. Moreover, we provide a mathematical proof demonstrating the convergence of the HRGrad method, which is evaluated across a range of challenging asymptotic-preserving neural networks (APNNs) scenarios. We conduct an extensive set of experiments encompassing the Bhatnagar-Gross-Krook (BGK) equation and the linear transport equation in all ranges of Knudsen number. Our results indicate that HRGrad effectively overcomes the `failure modes' of APNNs in these problems.

cs.LG↗
arXiv2026

Stochastic-Dimension Frozen Sampled Neural Network for High-Dimensional Gross-Pitaevskii Equations on Unbounded Domains

This paper introduces the Stochastic-Dimension Frozen Sampled Neural Network (SD-FSNN), a novel computational framework for solving high-dimensional Gross-Pitaevskii equation (GPE) on unbounded domain. The proposed method circumvents the curse-of-dimensionality that plagues traditional discretizations and the computational bottlenecks of gradient-based neural network solvers through a synergistic combination of techniques. First, a prescribed Gaussian envelope encodes the far-field decay of the wavefunction, enabling a space-time separation where the spatial approximation is handled by a frozen, single-hidden-layer neural network with data-driven sampled features. This yields a gradient-free formalism where spatial derivatives are analytically precomputed and time-dependence is evolved via reduced ODEs. Second, a stochastic-dimension sampler provides a conditionally unbiased estimate of the spatial operator by evaluating only a small subset of spatial dimensions at each time step, essentially reducing computational and memory costs. Discrete conservation laws are also enforced, ensuring long-term stability. Extensive numerical experiments on GPE in up to 1000 dimensions demonstrate that SD-FSNN achieves significantly higher accuracy and efficiency compared to state-of-the-art methods, including PINNs, randomized feature methods, and tensor-network approaches. The results confirm that SD-FSNN effectively mitigates the Kolmogorov $n$-width barrier for frozen-basis models on structured solution manifolds.

cs.LG↗
arXiv2026

Constitutive parameterized deep energy method for solid mechanics problems with random material parameters

In practical structural design and solid mechanics simulations, material properties inherently exhibit random variations within bounded intervals. However, evaluating mechanical responses under continuous material uncertainty remains a persistent challenge. Traditional numerical approaches, such as the Finite Element Method (FEM), incur prohibitive computational costs as they require repeated mesh discretization and equation solving for every parametric realization. Similarly, data-driven surrogate models depend heavily on massive, high-fidelity datasets, while standard physics-informed frameworks (e.g., the Deep Energy Method) strictly demand complete retraining from scratch whenever material parameters change. To bridge this critical gap, we propose the Constitutive Parameterized Deep Energy Method (CPDEM). In this purely physics-driven framework, the strain energy density functional is reformulated by encoding a latent representation of stochastic constitutive parameters. By embedding material parameters directly into the neural network alongside spatial coordinates, CPDEM transforms conventional spatial collocation points into parameter-aware material points. Trained in an unsupervised manner via expected energy minimization over the parameter domain, the pre-trained model continuously learns the solution manifold. Consequently, it enables zero-shot, real-time inference of displacement fields for unknown material parameters without requiring any dataset generation or model retraining. The proposed method is rigorously validated across diverse benchmarks, including linear elasticity, finite-strain hyperelasticity, and complex highly nonlinear contact mechanics. To the best of our knowledge, CPDEM represents the first purely physics-driven deep learning paradigm capable of simultaneously and efficiently handling continuous multi-parameter variations in solid mechanics.

cs.LG↗
arXiv2026

Stochastic Dimension Zeroth-Order Estimator: Stable and Memory-Efficient Training of PINNs

Physics-Informed Neural Networks (PINNs) for high-dimensional and high-order partial differential equations (PDEs) are primarily constrained by the $\mathcal{O}(d^k)$ spatial derivative complexity and the $\mathcal{O}(P)$ memory overhead of backpropagation (BP). While randomized spatial estimators successfully reduce the spatial complexity to $\mathcal{O}(1)$, their reliance on first-order optimization still leads to prohibitive memory consumption at scale. Zeroth-order (ZO) optimization offers a BP-free alternative; however, naively combining randomized spatial operators with ZO perturbations triggers a variance explosion of $\mathcal{O}(1/\varepsilon^2)$, leading to numerical divergence. To address these challenges, we propose the \textbf{S}tochastic \textbf{D}imension-free \textbf{Z}eroth-order \textbf{E}stimator (\textbf{SDZE}), a unified framework that achieves dimension-independent complexity in both space and memory. Specifically, SDZE leverages \emph{Common Random Numbers Synchronization (CRNS)} to algebraically cancel the $\mathcal{O}(1/\varepsilon^2)$ variance by locking spatial random seeds across perturbations. Furthermore, an \emph{implicit matrix-free subspace projection} is introduced to reduce parameter exploration variance from $\mathcal{O}(P)$ to $\mathcal{O}(r)$ while maintaining an $\mathcal{O}(1)$ optimizer memory footprint. Empirical results demonstrate that SDZE enables the training of 10-million-dimensional PINNs on a single NVIDIA A100 GPU, delivering significant improvements in speed and memory efficiency over state-of-the-art baselines.

cs.LG↗
arXiv2025

Error Estimate and Convergence Analysis for Data Valuation

Data valuation quantifies data importance, but existing methods cannot ensure validity in a single training process. The neural dynamic data valuation (NDDV) method [3] addresses this limitation. Based on NDDV, we are the first to explore error estimation and convergence analysis in data valuation. Under Lipschitz and smoothness assumptions, we derive quadratic error bounds for loss differences that scale inversely with time steps and quadratically with control variations, ensuring stability. We also prove that the expected squared gradient norm for the training loss vanishes asymptotically, and that the meta loss converges sublinearly over iterations. In particular, NDDV achieves sublinear convergence.

cs.LG↗