#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
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.
#03Nov 4, 2026
quant-ph
GFlowQEC: Generative Flow Networks that Learn to Sample Quantum LDPC Codes
Nuno Batista, Gabriel Falcao, Penousal Machado
Choosing a quantum error-correcting code for a real device means scoring candidates with circuit-level simulations so slow that only a few hundred can be run. So every evaluation counts, and a search is judged by how many good codes it finds per paid evaluation. Quantum LDPC codes built from a few group elements protect many logical qubits, but good ones are rare in a huge space. We introduce GFlowQEC, to our knowledge the first generative flow network (GFlowNet) for quantum code design. It builds a code one group element at a time and learns to propose codes in proportion to a power of their score. We train it once on scores from earlier searches, freeze it, and let it propose lifted-product codes with 180 physical qubits, scored by their distances. Ranking ten of its draws per paid call, it finds more than twice as many new top-scoring codes (inequivalent to any it was trained on) as tuned parallel tempering, even when tempering starts from GFlowQEC's training codes. It finds more than three and a half times as many as a supervised screen ranking ten random candidates per call. When both rank a hundred, the screen beats GFlowQEC, and does best ranking GFlowQEC's draws. Soft Q-learning, which shares the GFlowNet's optimal policy, does as well at one noise bias and better at the other, so the gain does not depend on the GFlowNet's training loss. Trained proposers can make a budget of expensive evaluations go further when good codes are rare.
#04Nov 4, 2026
econ.EM
Regression with Many Generated Controls
Timothy Christensen, Daniel Vebman
We consider linear regression when some covariates are endogenous, a variable sufficient to control for endogeneity exists but is latent, and the practitioner can generate many proxies for the latent control. For instance, one could cheaply but imperfectly impute the latent control using different AI/ML methods, each generating a different proxy. There are several options the practitioner might consider in this scenario: including all proxies or factors computed from the proxies as controls, instrumental variables estimation, and some nonlinear variants thereof. We use a transparent model to derive the implicit estimand each approach targets, determine when these estimands recover the parameter of interest, and provide some practical recommendations. We show that with a sufficiently rich set of generated controls, practitioners can consistently estimate the parameter of interest without relying on validation data.
#05Nov 4, 2026
cs.RO
Perceptive Humanoid Motion from Simulation
Siyuan Hu, Abulikemu Abuduweili, Yue Meng and 5 more
Humanoid robots have the potential to automate a wide range of physical tasks. Progress toward generalist humanoid autonomy, however, remains constrained by a data bottleneck: mapping pixels and free-form language to low-level joint commands requires paired supervision, and no corpus of such data exists at sufficiently large scale. Some approaches rely on human teleoperation and wearable capture devices, which require at least an hour of human time to produce an hour of data. We present HALO, a humanoid autonomy system powered by a pipeline that synthesizes vision-language-motion data across a thousand procedurally generated homes. The corpus scales with compute rather than human labor. HALO acquires a repertoire of physical skills, including sitting on chairs, navigating to named objects, stepping sideways through half-open doors, crouching and crawling beneath tables, and pushing boxes. It orchestrates these skills to solve composite, long-horizon tasks. Without ever seeing a real home during training, HALO transfers zero-shot to the physical world, achieving a 91% success rate across 360 trials in six unmapped real-world environments. See https://apple-aiml-research.github.io/ml-halo/ for code and videos.