Model-based reinforcement learning (MBRL) agents typically learn world models by minimizing predictive loss. However, powerful RL optimizers inevitably exploit minor model inaccuracies, leading to simulator exploitation and a reality gap where policies succeed in simulation but fail in the real world. We propose that the objective for learning simulators should be strategic robustness rather than predictive accuracy, and formulate this as a zero-sum minimax game between a model player and an adversarial policy player. We provide a comprehensive theoretical analysis: (1) an online learning guarantee showing the game is learnable with sublinear regret bounds; (2) a tractable critic-based simplification bounding the global policy-value gap by the local critic's loss; and (3) an Error-MDP duality, proving that finding the worst-case policy is formally dual to a standard RL problem where the reward is the one-step critic error. This duality yields a provably convergent active data selection algorithm. Experiments on continuous control tasks demonstrate that our approach reduces prediction error in strategically important regions by $1.5$-$2.2\times$ and enables policies trained purely in simulation to match near-optimal real-world performance.

Reliable probability estimates are critical in many machine learning applications, yet modern classifiers are often poorly calibrated. Post-hoc calibration provides a simple and widely used solution, but the large number of proposed methods, combined with small-scale and inconsistent evaluations, makes it difficult to determine which approaches are truly effective in practice. We introduce a large-scale, standardized benchmark for post-hoc calibration, covering nearly 2000 experiments across tabular and computer vision tasks, including binary, multiclass, and large-scale classification settings. Our benchmark aggregates predictions from a diverse set of classical models, modern deep learning architectures, and foundation models, and provides unified, reproducible implementations of dozens of calibration methods within a common evaluation framework. We argue that Post-Hoc Improvement (PHI) in proper scoring rules offers a principled alternative to traditional calibration error estimators for comparing post-hoc methods, capturing both calibration quality and potential degradation to the model's predictive performance. Using this framework, we conduct the most comprehensive empirical study of post-hoc calibration to date. Our results reveal consistent patterns across domains: smooth calibration functions outperform binning-based approaches, dedicated multiclass methods are essential in high-dimensional settings, and generic machine learning models are not competitive without calibration-specific design. To facilitate future research, we release all data, code, and evaluation tools, providing a plug-and-play benchmark for developing and comparing calibration methods.

History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose Score-Repellent Monte Carlo (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $\mathbb{R}^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential score tilt, indexed with $α$ that represents the strength of repellence in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $π$ can instead be run on the current surrogate $π_{θ_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $α$ increases, with scaling $O(1/α)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.

Kolmogorov-Arnold Networks (KANs) approximate multivariate functions using learnable univariate edge functions, typically parameterized by B-spline bases. Although effective, spline-based implementations can be computationally expensive. A modified version of KANs, called FastKAN, improves efficiency by replacing splines with Gaussian radial basis functions (RBFs), but it relies on a fixed kernel and shape parameter. In this work, we extend the RBF-based KAN framework by introducing a broader family of radial basis kernels and by initializing the kernel shape parameter using leave-one-out cross-validation (LOOCV). To the best of our knowledge, this is the first study that integrates LOOCV-based kernel scale estimation with deep KAN training. We also introduce Matérn and Wendland kernels into the KAN framework for the first time, enabling more flexible basis representations beyond the Gaussian kernel used in FastKAN. The LOOCV estimate provides a data-driven initialization of the kernel scale, which is subsequently refined during network training. The proposed adaptive RBF-KAN is evaluated on several two-dimensional benchmark functions. The results highlight the importance of kernel selection and adaptive shape parameters, with different kernels showing advantages for smooth functions, discontinuities, and oscillatory patterns. Overall, combining LOOCV-based initialization with adaptive kernel learning provides a practical strategy for improving RBF-based KAN models.

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.

The Volterra signature extends the classical path signature by incorporating general matrix-valued kernel into its iterated integral structure, yielding a flexible notion of memory for time series. Its components can be viewed as successive Picard iterates of linear controlled Volterra equations, making their exact computation of additional mathematical interest. However, the kernel introduces substantial algorithmic challenges. We provide a resolution by first decomposing the Chen-type convolution relation established in [13] into analytic and arithmetic parts, and then introducing several efficient algorithms: a general approximative scheme with quadratic complexity O(J2) in the number of time steps J, an FFT-based acceleration with complexity O(J logJ) for convolution kernels on uniform grids, and an exact recursion with complexity O(JR2) for kernels admitting a state-space representation of dimension R; retaining standard signature complexity in the path dimension and truncation level N. We further show that the number of factors in matrix-valued kernels of the form K(t,s) = P p kp(t s)Ap do not increase the asymptotic complexity in J and N. Finally, we derive a finite-difference predictor-corrector scheme for the associated Volterra signature kernel. All algorithms are implemented in the publicly available JAX-based package tensordev.

Coherent Point Drift (CPD) is a representative probabilistic framework for unsupervised non-rigid point set registration. Its standard non-rigid M-step, however, relies on a point-indexed Gaussian-kernel system whose size grows with the number of moving points, making deformation estimation computationally heavy for large point sets and difficult to control in complexity during registration. To address these limitations, we propose Analytic-CPD, a new unsupervised non-rigid registration framework that gives CPD a structured analytic reformulation. Analytic-CPD preserves the CPD posterior correspondence layer, but lifts the M-step from point-indexed kernel displacement estimation to structured analytic mapping estimation. By coupling the Gaussian-mixture posterior mechanism of CPD with Structured Analytic Mappings (SAM), the method obtains a deformation model whose coefficient dimension is governed by the ambient dimension and analytic order rather than by the number of moving points. More importantly, deformation estimation is organized over an interpretable hierarchy of analytic function spaces, so the analytic order can be increased progressively as posterior correspondences become more reliable. We implement this idea through an increasing-degree continuation strategy with decreasing stage lengths: low-order analytic maps first stabilize the posterior correspondence structure, while higher-order modes later refine nonlinear residual deformation. Experiments on controlled model-matched, smooth model-mismatch, and registered human-shape data demonstrate the effectiveness and favorable accuracy--efficiency performance of Analytic-CPD.

We study the query complexity of obtaining a relative Fisher information guarantee for sampling from a log-smooth non-log-concave distribution; this is a sampling analog of finding an approximate stationary point in optimization. Our algorithm is based on the proximal sampler, which is an implicit discretization of the Langevin diffusion, and requires an implementation of the backward step known as the restricted Gaussian oracle (RGO). We show that by leveraging the recent results for log-concave sampling with high-accuracy guarantees in Rényi divergence, we can obtain an approximate RGO implementation that -- when used with the proximal sampler -- yields a complexity guarantee in relative Fisher information that inherits the same dimension dependence as log-concave sampling, and improves upon prior work for non-log-concave sampling. We also show a converse reduction that any improvement in the dimension dependence in relative Fisher information for non-log-concave sampling will yield an improved dimension dependence for high-accuracy log-concave sampling.

Gaussian process (GP) marginal likelihood scores and kernel conditional independence tests are theoretically appealing for nonlinear causal discovery but computationally prohibitive at scale. We present three complementary RFF-based methods forming a practical toolkit for score-based, constraint-based, and hybrid causal discovery. The Fourier Feature Marginal Likelihood (FFML) score approximates the exact GP marginal likelihood by replacing the $n x n$ kernel Gram matrix with a finite-dimensional feature representation, reducing cost to $O(nm^2 + m^3)$ while retaining the probabilistic interpretation and automatic complexity penalty of the exact score. FFML extends to mixed (continuous and discrete) parent sets via a product-kernel construction, with a Kronecker path for small discrete parent sets and a Hadamard-product path otherwise. The Tetrad Random Fourier Feature (TRFF) score is a complementary BIC-style alternative using penalized Student-t regression with random Fourier features. TRFF offers robustness to heavy-tailed noise and faster runtime than FFML. Empirically, TRFF and FFML exhibit a complementary precision-recall profile: TRFF achieves higher precision while FFML achieves better recall and lower SHD overall. The Fourier Feature Conditional Independence (FFCI) test is a fast nonparametric CI test for mixed data, using ridge residualization in feature space and a Frobenius-norm cross-covariance statistic approximated as a weighted sum of chi-squared variables. Empirically, BOSS+FFML achieves the lowest SHD on nonlinear data, while BOSS+TRFF offers the highest precision. When run through PC-Max, FFCI and RCIT exhibit complementary precision-recall profiles: RCIT is more precise while FFCI achieves better recall and substantially lower SHD, at approximately twice the runtime.

Optimal transport (OT) has emerged as a fundamental tool in modern machine learning, yet its computational cost remains a significant bottleneck for large-scale applications. While harnessing the massive parallelism of modern GPU hardware is critical for efficiency, the de facto standard Sinkhorn algorithm, despite its ease of parallelization, often suffers from slow convergence in challenging problems. More recently, the sparse-plus-low-rank quasi-Newton method offers a balance between convergence rate and per-iteration complexity; however, its efficiency on GPUs is severely hindered by the serial nature of sparse matrix symbolic analysis and irregular memory access patterns. To bridge this gap, we present cuRegOT, a high-performance GPU solver tailored for entropic-regularized OT. We introduce a suite of algorithmic and architectural optimizations, including an amortized symbolic analysis strategy to mitigate CPU bottlenecks, an asynchronous Sinkhorn iterates generation mechanism, and a fused kernel for bandwidth-efficient gradient evaluation. These strategies are backed by rigorous theoretical guarantees ensuring algorithmic convergence. Extensive numerical experiments demonstrate that cuRegOT achieves significant speedups over state-of-the-art GPU-based solvers across a variety of benchmark tasks.