#01Nov 4, 2026
math.ST
Regularization vs. Convolution in Kernel-Based Hypothesis Testing
Omar Hagrass, Bharath K. Sriperumbudur
The maximum mean discrepancy (MMD) test is a popular nonparametric test on general domains. Two lines of work have studied its optimality through structurally different approaches. The first, a convolution approach on $\mathbb{R}^d$, uses translation-invariant kernels with a shrinking bandwidth and is minimax optimal over Sobolev balls under $L^2$-separation; the second, a regularization approach on general measurable spaces, uses spectral regularization of the kernel covariance operator and is minimax optimal over Hellinger- and $χ^2$-separated alternatives. In this paper, we study the regularization approach over Sobolev balls under $L^2$-separation, which reveals the connection between the two approaches. We show that, with a translation-invariant kernel on $\mathbb{R}^d$, both are ways of meeting a single condition on the kernel's spectral density: the spectral regularized discrepancy captures the $L^2$-separation $Δ$ of a Sobolev alternative of smoothness $s$ as soon as the regularization parameter $λ$ is below the spectral density on frequencies up to $Δ^{-1/(2s)}$. A kernel with a shrinking bandwidth $h$ meets this condition with $λ\asymp h^d$, and under this coupling the constant regularizer, which gives the MMD test itself, attains the Sobolev minimax rate. This explains, from a spectral perspective, the need for a shrinking bandwidth in the convolution approach. With a non-constant spectral regularizer, our analysis requires the bandwidth to shrink only when the spectral density decays faster than any polynomial, as for the Gaussian kernel. Thus, for Matérn and Laplace kernels, a fixed bandwidth with $λ\to 0$ attains the Sobolev minimax rate. Finally, an adaptive test over a grid of bandwidths and regularization parameters is minimax optimal, up to a $\log\log$ factor, over both classes without prior knowledge of the smoothness.
#02Nov 4, 2026
physics.flu-dyn
FlowReconBench: Accuracy, calibration and cost of learned and classical flow reconstruction from sparse sensors
Nicolas Tricard, Linzheng Wang, Jason Chen and 1 more
Reconstructing full flow fields from sparse sensors requires prior assumptions about unmeasured regions and physical variables. Yet it remains unclear when learned models outperform classical estimators and which aspects of their predictions can be trusted. FlowReconBench evaluates ten learned and five classical methods on three regimes: a laminar cylinder wake across Reynolds numbers, two-dimensional Kolmogorov turbulence and a large-scale three-dimensional (3D) isotropic turbulence. Methods share leakage-controlled splits and sensor draws and are scored on per-channel error, ensemble spread, calibration, spectra and cost. The leading method changes for each regime. Classical methods perform strongly in low-order and dense-sensing regimes. On the cylinder wake, linear stochastic estimation and gappy proper orthogonal decomposition lead, including for unobserved pressure. In 3D, inverse-distance weighting matches the best learned methods on observed channels. Data-driven methods become superior at decreasing sensor density or poor sensor observability. On Kolmogorov flow, continuous ranked probability score and error yield different method rankings: generative models offer broader but underdispersed ensembles, while deterministic models prioritize pointwise error. Generative models balance this tradeoff through their sampler budget, with a larger budget improving ensemble quality at higher computational cost. In 3D, scaling tests demonstrate that queryable methods are flat in memory, while full-grid construction methods run out of memory. Observing only 2 of 4 fields leaves the problem kinematically underconstrained, yet a latent model can reproduce structural similarities to the ground truth.
#03Nov 4, 2026
cs.RO
ConDR: Conservative Reachability through Neural Hamilton-Jacobi Subsolutions
Kendra Givens, Taylor T. Johnson, Bryan C. Ward and 1 more
Hamilton-Jacobi (HJ) Reachability identifies the unsafe states of a dynamical system from which it can be forced into failure under worst-case disturbance. However, classical grid-based solvers scale exponentially with state dimension. DeepReach improves scalability by replacing the grid with a neural value function trained on the HJ-Isaacs (HJI) variational inequality (VI), but penalizes both sides of the residual equally. This allows the learned value to lie above the true one and unsafe states to be misclassified as safe. We propose Conservative DeepReach (ConDR) which aims to learn a subsolution of the HJI VI such that the learned unsafe set contains the true one. ConDR enforces the obstacle branch and terminal condition by construction, pushes the HJI residual to a safety margin $ε$ below zero with a one-sided loss, and prevents the degenerate solution of classifying everything as unsafe. We prove that the exact solution of the margin-shifted VI that ConDR trains toward is a subsolution of the original VI so its unsafe set contains the true one and its value lies within $ετ$ of the true value function. We compare against DeepReach and MADR in the established systems of Air3D, Air6D, a 9D multi-vehicle system, and a 13D quadrotor. ConDR reports the lowest rate of unsafe state misclassified and the lowest closed-loop collision rates with at most a small increase in intervention. On Air3D and Air6D, ConDR tolerates model mismatch that scales with $ε$. At matched false-negative rates, ConDR's unsafe sets are smaller than the baselines showing the safety is not obtained by trivial over-approximation.
#04Nov 4, 2026
cond-mat.mtrl-sci
Evolutionary Design of Interpretable Spatial Descriptors for Structure-Property Relationship Discovery
Aditya Raghavan, Sergei V Kalinin
Structure property prediction is a classical task in machine learning, ranging from molecular activity and materials properties to local functional responses measured in microscopy. For image-based regression, two choices define the information available to the predictor: the size of the image neighborhood and the spatial resolution retained within it. A small neighborhood can omit relevant surrounding structure, whereas a large, finely sampled neighborhood can introduce redundant or irrelevant information. Here, we develop a framework for constructing spatial descriptors for prediction of local spectra and hysteresis loops. We benchmark regression models, use SHAP maps to examine their spatial attribution, and explore the effect of the patch size and compression to establish the relationship between predictive accuracy and descriptor dimensionality. We then use a genetic algorithm to optimize spatial partitions and the assignment of mean, minimum, and maximum pooling operations. Each retained region contributes an explicit measurement of the image, allowing the search to balance prediction error against the number of descriptor values. Cartesian and polar constructions provide complementary ways to organize this information. The resulting descriptors make it possible to examine where spatial detail is needed, where regional summaries are sufficient, and how these choices depend on the predictor and the measured response. The same approach can be used for molecules and solids once the genetic algorithm rules for these are established.
#05Nov 4, 2026
cs.LG
Systolic Linear Attention: Co-Designing Tile-Grouped Gated Delta Attention for TPUs
Gagik Amirkhanyan, Nuojin Cheng
Gated-delta linear attention layers such as Gated DeltaNet (GDN), Kimi Delta Attention (KDA), and GDN-2 are tuned for GPUs, where small tensor-core tiles and fast vector registers make per-channel decay rescaling and sequential in-block solves cheap. On Google TPUs, which concentrate compute in wide $256 \times 256$ systolic matrix units backed by a slower vector unit, porting these layers directly leaves half of each matrix tile empty and bottlenecks on vector operations. We present \textbf{Systolic Linear Attention (SLA)}, which reshapes gated delta attention around the matrix unit by widening keys to $256$ with grouped value heads, grouping decay gates into four $64$-channel tiles, and computing the chunk solve entirely with block matrix products in a single fused kernel. On TPU v7x, a full \texttt{SLA-R4} layer runs $1.6\times$--$2.5\times$ faster than the open-source Tokamax KDA kernel ($1.4\times$--$2.4\times$ with exact chunk inversion), driven primarily by head sharing and kernel fusion. Across a $2{,}048$-chip TPU v7x pre-training study of sparse Mixture-of-Experts (MoE) models from $6.5\text{B}$ to $63.1\text{B}$ parameters, SLA trains $11\%$--$24\%$ faster than KDA at similar perplexity, and reaches slightly lower perplexity than KDA in smaller matched-seed runs.