High-Dimensional Nonparametric Change-Point Detection via Low-Rank Degree-Three Density Projection

Distributional changes can be invisible to means and covariances yet appear in skewness, asymmetric interactions, or other third-order structure. We develop a nonparametric change-point method that retains every degree-at-most-three coefficient of a density while avoiding direct density estimation. For observations in $[-1,1]^d$, we construct a symmetric order-three Legendre feature tensor $H_3(X)\in\Sym^3(\R^{d+1})$ such that $A(f)=\E_fH_3(X)$ is an exact isometric encoding of the degree-three density projection: $\|A(f)-A(g)\|_{\F}=\|P_3(f-g)\|_{L^2}$. Instead, fixed tensor contractions are degree-three polynomial chaoses with $ψ_{2/3}$ tails. The two terms have the characteristic order-three tensor scaling and match the powers in sharp concentration results for simple random tensors. For a coordinate-orthogonal specialization, the bound improves to $\sqrt{\log d}$ and enables a prefix-sum implementation in hundreds of dimensions. We derive the exact population tent shape and localization margin, introduce a seeded shortest-interval algorithm with a padded local recentering step, and prove exact recovery by induction: null recursive segments remain inactive, every undetected change retains a balanced isolating interval, and the shortest active seed contains exactly one change before recentering. A two-way cross-fitted scalar refinement attains $O_{\Pp}(κ^{-2})$ localization in the small-jump regime, matching a Le Cam lower bound on a pure cubic family whose degree-two projection jump is exactly zero. Reproducible experiments at $d\in\{20,50,100,200\}$ and a three-change $d=100$ sequence demonstrate the intended high-dimensional regime without materializing a $(d+1)^3$ tensor.

High-dimensional Multi-objective Bayesian Optimization with Learned Variable Interactions

Multi-objective Bayesian optimization (MOBO) is effective in identifying the Pareto fronts for expensive black-box problems. However, most current MOBO approaches are limited to low-dimensional decision space due to its exponential sampling complexity. This paper presents decision variable interaction analysis-based MOBO, ViaMOBO, a generic framework for expensive multi-objective problems with high-dimensional decision space. The key idea of ViaMOBO is that it utilizes a variable interaction analysis model to determine whether the decision space can be completely or partially divided, and then performs local Bayesian optimization in the divided decision subspaces. Through the variable analysis model, it can be derived whether the objectives in black-box problems are separable, partially separable, or non-separable based on the potential independent or interdependent relationships among decision variables without any strong assumptions. We compare ViaMOBO with the state-of-the-art MOBO methods on both synthetic and real-world benchmarks. The experimental results demonstrate that ViaMOBO outperforms other related MOBO baselines in approximating the Pareto front of high-dimensional expensive multi-objective problems.

Model-Agnostic FDR Control via Group Gaussian Mirror and Permutation SHAP

Most FDR-controlled feature selection methods are designed for coordinate-wise hypotheses, where each feature has a single weight or importance score. This abstraction fails in sequential and grouped models, where one original feature is represented by a block of sub-features, such as lags, recurrent states, or attention-based interactions. We propose a grouped-feature FDR control framework for such settings. For grouped linear models, we construct null-symmetric block-level mirror statistics with matrix-valued perturbations. For neural sequential models, we combine Permutation SHAP derivatives as model-agnostic block-level importance scores with kernel-based dependence measure. The framework is model-agnostic across network architectures, does not require specifying the covariate distribution, and reduces to Gaussian Mirror or Neural Gaussian Mirror when the block size is one. We prove FDR control for low- and high-dimensional grouped linear models and asymptotic symmetry of smoothed Permutation SHAP derivatives under fixed fitted nonlinear models. Experiments on simulated and real-world datasets show reliable FDR control and improved power under correlated grouped-feature signals.

A Deep Second-Order Stochastic Residual Method for Fully Nonlinear Parabolic PDEs

We introduce the Deep Second-Order Stochastic Residual Method (D2SRM) for high-dimensional, Hessian-dependent fully nonlinear parabolic PDEs. A single scalar space--time network generates derivative-consistent approximations of the solution, gradient, and Hessian, which are trained jointly through second-order Brownian one-step residuals and terminal value and gradient penalties. For globally Lipschitz equations with identity diffusion and sufficiently weak Hessian coupling, we establish well-posedness in a Brownian occupation space and develop a population-level convergence theory. Under additional regularity, an a posteriori estimate bounds the squared full-jet occupation error of any admissible candidate by the time step and its population objective. For approximate population minimizers, the error bound separates time discretization, neural approximation, and population suboptimality; when the latter two terms are $O(h)$, the full-jet occupation norm is $O(h^{1/2})$. Experiments on a 100-dimensional manufactured benchmark compare terminal treatments, probe Hessian couplings inside and outside the proved small-gain range, and show decreasing errors as the time step decreases. The code is available at https://github.com/ZZHPKU/D2SRM.

Delocalization of bias in unadjusted Hamiltonian Monte Carlo and underdamped Langevin

Unadjusted samplers such as unadjusted Hamiltonian Monte Carlo and underdamped Langevin are well-known to be biased. Metropolis--Hastings adjustment has been conventionally incorporated into Hamiltonian Monte Carlo to eliminate the bias. However, this adjustment can significantly increase the iteration complexity due to the small step size required for reasonable Metropolis acceptance rates. In this work, we extend the \emph{delocalization of bias} phenomenon, previously established for the overdamped Langevin algorithm, to these two unadjusted algorithms. We show that to control the $W_2$ bias of any $K$-dimensional marginal of a high-dimensional distribution, $O(\sqrt{K})$ integration steps suffice up to $\log d$ terms, assuming either weak or sparse interactions among variables. The discrete-time integrators here introduce technical difficulties beyond those of the overdamped setting, which we address through a broadly applicable matrix-polynomial framework that characterizes their propagators. Our result for the underdamped Langevin algorithm is valid for all large friction parameters, implying that the Leimkuhler-Matthews integrator for the overdamped Langevin dynamics also exhibits delocalization of bias.

Spectral-Informed Neural Networks Outperform Spectral Methods in High-dimensional PDEs

For low-dimensional problems ($d\leq3$), spectral methods can achieve exceptionally high accuracy. For middle-dimensional problems ($4 \leq d \lesssim 10$), spectral methods remain feasible through specific techniques such as sparse grids or hyperbolic cross. However, for high-dimensional problems ($d\gg 10$), spectral methods suffer frome the curse of dimensionality. Physics-informed neural networks (PINNs) have emerged as a promising approach to overcome this challenge, offering scalability to high dimensions, but often suffer from limited accuracy and efficiency. Recently proposed spectral-informed neural networks (SINNs) combine spectral methods with PINNs, operating directly in the spectral domain to avoid spatial derivative computations and to reduce memory consumption. In this work, we introduce Modified SINNs, which integrate coefficient decay scaling and basis embeddings motivated by harmonic analysis to enhance accuracy in high-dimensional problems and enable accurate approximation of unknown spectral coefficients. Numerical experiments on steady and time-dependent partial differential equations demonstrate that Modified SINNs outperform sparse grid spectral methods on middle-dimensional problems with incomplete spectral information and achieve superior accuracy compared to PINNs on high-dimensional problems.

A Zeroth-Order Deep Learning Method for Fully Nonlinear Parabolic Partial Differential Equations with Unknown Coefficients

High-dimensional partial differential equations (PDEs) with unknown coefficients arise widely in scientific machine learning, including continuous-time reinforcement learning, yet solving them efficiently in a data-driven way remains challenging. Existing deep learning solvers often rely on repeated automatic differentiation to evaluate differential operators, which can cause instability and amplify derivative errors in high dimensions, while probabilistic methods based on stochastic representations require explicit knowledge of the data-generating dynamics and therefore do not apply to black-box environments. We introduce two types of simulators as data-generating mechanisms, and take a ``representing-then-learning" approach that learns the solutions and their derivatives under settings where the underlying PDE operators are accessible only through simulations and pointwise evaluations. Our representation of derivatives relies on the zeroth-order derivative (ZOD) estimators derived from perturbed Monte Carlo trajectories. This fully model-free approach generates targets for the gradient and Hessian networks using only function evaluations. We provide a statistical learning analysis of the proposed approach, including a bias--variance tradeoff for ZODs. Assuming a standard contraction property of the underlying operator, we establish a non-asymptotic error bound that decomposes the total error into discretization error, approximation error, statistical error, and ZOD bias. Crucially, we derive the sample complexity of the learned representations in (weighted) Sobolev space, characterizing the error up to second-order derivatives. Numerical experiments illustrate the competitive performance of the method in moderate and high dimensions.

Uniform Sampling from High-dimensional Spectral Norm Balls

Motivated by an application in machine learning optimization, this paper focuses on the challenges of sampling a matrix uniformly from the unit spectral norm ball. It is proven that all singular values of sampled matrices converge to 1 almost surely as the matrix dimensions increase. This result provides the theoretical justification for a proposed simple sampling method applicable for large dimension sizes matching matrices found in modern large language models. Experimental results demonstrate both the convergence of the singular values, as well as the exact and proposed approximate sampling methods.

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.

Renewable Lasso without Batch-Number Constraints: A Gradient-Enhanced Approach

We study online estimation for high-dimensional generalized linear models with streaming data. First, for the non-distributed setting, we propose a gradient-enhanced surrogate loss that approximates the cumulative loss using only historical summaries, which modifies and improves upon the existing renewable estimation approach for the same model in the high-dimensional setting, and removes the batch-number constraint in previous studies. We then extend the method to distributed streaming data under the master-client architecture, where batches are partitioned across sites and only summaries (gradient vectors) are exchanged. Instead of directing applying the popular method of Jordan et al. (2019) to the surrogate quadratic loss, our adjusted approach does not require the clients to compute the full surrogate loss. We derive non-asymptotic error bounds under the high-dimensional scaling, without the stringent constraint on the number of batches in the previous studies. Simulation results under linear and logistic models, together with a real-data application, show improved accuracy over existing renewable estimators.

Importance-Aware Scheduling for High-Dimensional Hyperparameter Optimization

Hyperparameter Optimization (HPO) is essential for building high-performing ML/DL models, yet conventional optimizers often struggle in high-dimensional spaces where evaluations are costly and progress is diluted across many low-impact variables. We propose Greedy Importance First (GIF), an importance-aware scheduling strategy that uses a small-sample warm start to estimate hyperparameter importance, forms importance-based groups, allocates trials proportionally, and retains a full-space fallback. We evaluate GIF under fixed evaluation budgets on five anisotropic analytic functions, Bayesmark, and NAS-Bench-301. On the higher-dimensional benchmarks, GIF reaches better incumbents with faster convergence than TPE, BOHB, Random Search, and Sequential Grouping. On Bayesmark, where the effective dimensionality is smaller, GIF remains competitive but the margins are smaller. Ablation studies show that importance estimation, proportional allocation, and the fallback step all contribute to the gains. We also verify that the HIA component recovers the intended anisotropy on the analytic benchmarks. These results suggest that GIF is a simple and plug-compatible way to improve sample efficiency in high-dimensional HPO.