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 study distribution-free root cause analysis in multi-stream data, where an evolving underlying system is observed through multiple data streams that may each undergo distributional changes at unknown timepoints. In such settings, the stream exhibiting the earliest change provides a natural starting point for investigating the underlying cause, which we refer to as the root-cause index. Leveraging conformal $p$-values, we propose a novel framework, Conformal Root Cause Analysis (CROC), which constructs finite-sample valid confidence sets for the root-cause index under minimal assumptions: the data streams are independent, and within each stream the pre- and post-change observations are sampled exchangeably from arbitrary and unknown distributions. We further establish a universality property, showing that any distribution-free method for root cause localization can be represented within the CROC framework. In addition, under mild regularity conditions and principled score design, our method yields asymptotically sharp confidence sets that efficiently isolate the root cause. We further extend CROC to efficiently handle cross-stream dependence when present. Extensive simulations demonstrate accurate localization of the root stream, supporting our theoretical guarantees.

Reliable deployment of machine learning models requires reasoning under epistemic uncertainty--the ability to recognize when the operating distribution has shifted beyond the scope of what was encountered during training. This challenge is central to test-time adaptation (TTA), a paradigm in which a model pretrained on source distribution Ps receives unlabeled data from a target distribution Pt = Ps at deployment time. Existing TTA methods (Wang et al., 2021; Niu et al., 2023; Zhang et al., 2022a; Yuan et al., 2023; Su et al., 2022) improve accuracy under distribution shift by adapting model parameters using statistics computed from test batches, but they provide no formal guarantees about when predictions should be trusted or how much risk degrades as a function of shift magnitude. This gap is particularly concerning in safety-critical applications such as autonomous driving, medical imaging, and financial risk assessment, where a model that silently degrades under distribution shift can cause significant harm. The inability to quantify how wrong a model's predictions might be in an unseen environment fundamentally limits its trustworthy deployment.

State-space models (SSMs) are powerful probabilistic tools for modeling time-varying systems with latent dynamics. Inference in SSMs involves the estimation of latent states and parameters. In this work, we focus on parameter inference, which for SSMs is in general a very challenging problem due to the intractability of the likelihood. Recently, neural estimation methods, such as sequential neural likelihood (SNL), have shown promising results in Bayesian inference problems. In this paper, we show that SNL, when applied to the SSM setting, suffers important limitations, such as requiring a large amount of simulated samples to achieve a moderate performance, scaling poorly with sequence length, while not being amortized. We then introduce a novel inference algorithm called truncated-SNL (T-SNL), which addresses the limitations of SNL. Our algorithm is more accurate, more stable and robust during training, more scalable to longer temporal sequences, and can be amortized when new observations become available. Our experiments show that T-SNL is sample-efficient, robust, and flexible algorithm which outperforms other approaches.

We consider one-hidden layer neural networks trained in the feature-learning regime using gradient descent, and relate the output of the finite-width network $f_{\hatρ_t^m}$ to its infinite-width counterpart $f_{ρ_t^{MF}}$, which evolves in the mean-field dynamics. While constant-time horizon bounds for $\|f_{ρ_t^{MF}} - f_{\hatρ_t^m}\|$ may be obtained via standard Grönwall estimates, the long-time behavior of the fluctuation is a more delicate matter. Uniform-in-time bounds often rely on (local) strong convexity in the landscape or Logarithmic Sobolev inequalities present in noisy gradient dynamics. In this work, we establish non-asymptotic weak propagation-of-chaos that holds uniformly in time, obtained by exploiting instead the convergence rate of the mean-field deterministic Wasserstein-gradient-flow dynamics. Specifically, denoting by $L_t$ the mean-field excess MSE loss at time $t$ and $m$ the number of neurons, under standard regularity assumptions and the condition $\int_0^\infty L_t^{1/2} dt =O(\log d)$, we obtain the uniform in time bound $\|f_{ρ_t^{MF}}- f_{\hatρ_t^m}\|^2 \lesssim \text{poly}(d) m^{-\min(1,c/6)}$ whenever $L_t \lesssim t^{-c}$. Our result holds in a noiseless setting and does not make any assumptions on the geometry of the landscape near the optimum, and extends seamlessly to other forms of discretization, including finite number of samples and time discretization. A key takeaway of our result is that whenever the convergence rate of the mean-field, population-loss dynamics is faster than $t^{-2}$, we can attain a loss of $ε$ with only $\text{poly}(d/ε)$ neurons, training samples, and GD steps.

GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and nonlinear objectives, such as certifying optimal solutions for cardinality-constrained generalized linear models. Major challenges include the sequential processing of heterogeneous nodes in branch and bound (BnB) and frequent data movement between the CPU and GPU. We propose a simple, generic, and modular CPU--GPU framework that processes multiple BnB nodes in batches on GPUs. The framework is built around a small set of GPU-efficient routines and uses padding together with lightweight custom kernels to handle irregular node data structures. Experiments show one to two orders of magnitude speedups and zero optimality gap on challenging instances. The framework can also be extended to collect the entire Rashomon set, enabling downstream statistical analysis such as variable-importance analysis and model selection under secondary user-specific measures (e.g., AUC in classification).

Survival analysis aims to estimate a time-to-event distribution from data with censored observations. Many existing methods either impose structural assumptions on the hazard function or discretize the time axis, which may limit flexibility and introduce approximation errors. We propose the Survival Diffusion Probabilistic Model (SDPM), a generative approach to continuous-time survival analysis. SDPM models the conditional distribution of the survival outcome, represented by the pair of observed time and censoring indicator, $\mathbb{P}(T,δ\mid \mathbf{x})$, using a denoising diffusion model. Under the assumption of conditionally independent censoring, conditional samples generated by the model can be transformed into survival function estimates using the Kaplan-Meier estimator. This formulation avoids parametric assumptions on the event-time distribution and does not require a discretization of the output time space. The model operates in a transformed target space, using standardized log-times and a continuous Gaussian-mixture representation of the censoring indicator. We evaluate SDPM on ten real survival datasets and compare it with five strong baselines, including tree-based, boosting-based, and neural survival models. Results show that SDPM achieves competitive predictive performance across C-index, integrated time-dependent AUC, and integrated Brier score. A study on synthetic Cox-Weibull data demonstrates that SDPM can recover the shape of an underlying continuous survival distribution more accurately than a strong nonparametric baseline when sufficiently many samples are generated. An ablation study confirms the importance of the proposed target-space transformations, which improve event-rate calibration, reduce invalid generated times, and provide consistent gains in predictive discrimination. Codes implementing the proposed model are publicly available.

Inferring latent dynamics from multivariate time-series defined over topological cell complexes is crucial for capturing the complex, higher-order interactions inherent in real-world systems such as in water, sensor, and transportation networks. However, reconstructing these latent states is challenging because the signals are coupled across higher-order topologies, while high dimensionality, nonlinear observations, and unknown structures increase the difficulty. To address this, we propose a topology-aware state space framework derived from stochastic partial differential equations on cell complexes. State evolution follows heat-like topological diffusion, with perturbations propagating along boundary operators. Under partial observability, we model observations using a cell complex convolution of latent states coupled with a nonlinear mapping. We perform recursive state estimation via an Extended Kalman Filter, simultaneously learning model parameters and uncertainties through an online Expectation-Maximization algorithm. Finally, for scenarios where only lower-order topological structure is known, e.g., nodes and edges, as in critical infrastructure networks, we introduce a heuristic cell identification algorithm to explicitly infer the second-order cell structures. Validations on synthetic and real datasets from water, sensor and transportation networks demonstrate that our approach yields reliable estimates under partial observability and successfully recovers the underlying topological structures.

We develop a rigorous statistical theory of multi-head attention (MHA) as an ensemble of Nadaraya-Watson (NW) kernel regression estimators. Building on the algebraic identity between single-head softmax attention and the NW estimator, we prove that MHA is a structured ensemble of H NW estimators, each operating in a distinct learned projection subspace of the key space. We derive an explicit Bias-Variance-Covariance decomposition of the MHA mean squared error, showing that variance reduction depends not merely on the number of heads H but fundamentally on the decorrelation of head outputs. Decorrelation is governed by the principal angles between learned projection subspaces: orthogonal projections yield maximum variance reduction; aligned projections yield none. We introduce the Head Diversity Index (HDI), a computable spectral measure of inter-head decorrelation, and prove that MHA mean squared error is monotonically decreasing in HDI. This provides the first rigorous theoretical explanation for the empirically observed specialization of attention heads. Under a fixed total-dimension budget D = H * d_k, we solve the optimal head-dimension allocation problem, deriving the MSE-minimizing pair (H*, d_k*) from data distribution and regression smoothness. The solution yields a new architectural scaling law: the optimal per-head dimension grows logarithmically with training set size, while the optimal number of heads grows nearly linearly with the total budget D. Our framework unifies three strands of prior work: the NW theory of single-head attention, the general weighting theory for ensemble learning, and the decorrelation-variance-reduction isomorphism between biological and computational ensembles. Multi-head attention is the Transformer's instantiation of a universal principle: identical agents plus diversity-enforcing mechanisms yields emergent optimality.

Infrastructure deterioration poses significant challenges for asset management, yet existing approaches rely on population-averaged models that overlook equipment-specific heterogeneity. We present a novel framework that combines Bayesian hierarchical hazard modeling with causal discovery to identify operational patterns that drive heterogeneous deterioration rates in pump equipment. Our approach first estimates pump-specific random effects $u_i$ using GPU-accelerated No-U-Turn Sampling (NUTS), achieving 3--5$\times$ speedup over CPU implementations. We then employ DirectLiNGAM to discover causal relationships between 22 engineered time-series features and deterioration rates, stratified by positive ($u_i > 0$, faster deterioration) versus negative ($u_i \leq 0$, slower deterioration) random effects. Analyzing 112 pumps with 92,861 observations over 650 days, we uncover striking heterogeneity: the negative group exhibits causal effects 400$\times$ larger than the positive group, with standard deviation (std) showing a strong positive causal effect ($+1.515$) on deterioration rates in low-risk equipment. We validate linearity assumptions through NonlinearLiNGAM comparison and demonstrate practical scalability through GPU acceleration. Our findings enable targeted maintenance strategies by revealing that different operational regimes require fundamentally distinct management approaches, advancing predictive maintenance from population-averaged to heterogeneity-aware decision making.