We propose a novel test procedure for comparing mean functions across two groups within the reproducing kernel Hilbert space (RKHS) framework. Our proposed method is adept at handling sparsely and irregularly sampled functional data when observation times are random for each subject. Conventional approaches, which are built upon functional principal components analysis, usually assume a homogeneous covariance structure across groups. Nonetheless, justifying this assumption in real-world scenarios can be challenging. To eliminate the need for a homogeneous covariance structure, we first develop the functional Bahadur representation for the mean estimator under the RKHS framework; this representation naturally leads to the desirable pointwise limiting distributions. Moreover, we establish weak convergence for the mean estimator, allowing us to construct a test statistic for the mean difference. Our method is easily implementable and outperforms some conventional tests in controlling type I errors across various settings. We demonstrate the finite sample performance of our approach through extensive simulations and two real-world applications.
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We introduce QUICK, a group of novel optimized CUDA kernels for the efficient inference of quantized Large Language Models (LLMs). QUICK addresses the shared memory bank-conflict problem of state-of-the-art mixed precision matrix multiplication kernels. Our method interleaves the quantized weight matrices of LLMs offline to skip the shared memory write-back after the dequantization. We demonstrate up to 1.91x speedup over existing kernels of AutoAWQ on larger batches and up to 1.94x throughput gain on representative LLM models on various NVIDIA GPU devices.
We introduce Optimistix: a nonlinear optimisation library built in JAX and Equinox. Optimistix introduces a novel, modular approach for its minimisers and least-squares solvers. This modularity relies on new practical abstractions for optimisation which we call search and descent, and which generalise classical notions of line search, trust-region, and learning-rate algorithms. It provides high-level APIs and solvers for minimisation, nonlinear least-squares, root-finding, and fixed-point iteration. Optimistix is available at //github.com/patrick-kidger/optimistix.
The broad class of multivariate unified skew-normal (SUN) distributions has been recently shown to possess fundamental conjugacy properties. When used as priors for the vector of parameters in general probit, tobit, and multinomial probit models, these distributions yield posteriors that still belong to the SUN family. Although such a core result has led to important advancements in Bayesian inference and computation, its applicability beyond likelihoods associated with fully-observed, discretized, or censored realizations from multivariate Gaussian models remains yet unexplored. This article covers such an important gap by proving that the wider family of multivariate unified skew-elliptical (SUE) distributions, which extends SUNs to more general perturbations of elliptical densities, guarantees conjugacy for broader classes of models, beyond those relying on fully-observed, discretized or censored Gaussians. Such a result leverages the closure under linear combinations, conditioning and marginalization of SUE to prove that such a family is conjugate to the likelihood induced by general multivariate regression models for fully-observed, censored or dichotomized realizations from skew-elliptical distributions. This advancement substantially enlarges the set of models that enable conjugate Bayesian inference to general formulations arising from elliptical and skew-elliptical families, including the multivariate Student's t and skew-t, among others.
We consider the problem of sketching a set valuation function, which is defined as the expectation of a valuation function of independent random item values. We show that for monotone subadditive or submodular valuation functions satisfying a weak homogeneity condition, or certain other conditions, there exist discretized distributions of item values with $O(k\log(k))$ support sizes that yield a sketch valuation function which is a constant-factor approximation, for any value query for a set of items of cardinality less than or equal to $k$. The discretized distributions can be efficiently computed by an algorithm for each item's value distribution separately. Our results hold under conditions that accommodate a wide range of valuation functions arising in applications, such as the value of a team corresponding to the best performance of a team member, constant elasticity of substitution production functions exhibiting diminishing returns used in economics and consumer theory, and others. Sketch valuation functions are particularly valuable for finding approximate solutions to optimization problems such as best set selection and welfare maximization. They enable computationally efficient evaluation of approximate value oracle queries and provide an approximation guarantee for the underlying optimization problem.
Untargeted metabolomic profiling through liquid chromatography-mass spectrometry (LC-MS) measures a vast array of metabolites within biospecimens, advancing drug development, disease diagnosis, and risk prediction. However, the low throughput of LC-MS poses a major challenge for biomarker discovery, annotation, and experimental comparison, necessitating the merging of multiple datasets. Current data pooling methods encounter practical limitations due to their vulnerability to data variations and hyperparameter dependence. Here we introduce GromovMatcher, a flexible and user-friendly algorithm that automatically combines LC-MS datasets using optimal transport. By capitalizing on feature intensity correlation structures, GromovMatcher delivers superior alignment accuracy and robustness compared to existing approaches. This algorithm scales to thousands of features requiring minimal hyperparameter tuning. Applying our method to experimental patient studies of liver and pancreatic cancer, we discover shared metabolic features related to patient alcohol intake, demonstrating how GromovMatcher facilitates the search for biomarkers associated with lifestyle risk factors linked to several cancer types.
{We analyze a general Implicit-Explicit (IMEX) time discretization for the compressible Euler equations of gas dynamics, showing that they are asymptotic-preserving (AP) in the low Mach number limit. The analysis is carried out for a general equation of state (EOS). We consider both a single asymptotic length scale and two length scales. We then show that, when coupling these time discretizations with a Discontinuous Galerkin (DG) space discretization with appropriate fluxes, an all Mach number numerical method is obtained. A number of relevant benchmarks for ideal gases and their non-trivial extension to non-ideal EOS validate the performed analysis.
This paper addresses structured normwise, mixed, and componentwise condition numbers (CNs) for a linear function of the solution to the generalized saddle point problem (GSPP). We present a general framework enabling us to measure the structured CNs of the individual solution components and derive their explicit formulae when the input matrices have symmetric, Toeplitz, or some general linear structures. In addition, compact formulae for the unstructured CNs are obtained, which recover previous results on CNs for GSPPs for specific choices of the linear function. Furthermore, an application of the derived structured CNs is provided to determine the structured CNs for the weighted Teoplitz regularized least-squares problems and Tikhonov regularization problems, which retrieves some previous studies in the literature.
We introduce a lower bounding technique for the min max correlation clustering problem and, based on this technique, a combinatorial 4-approximation algorithm for complete graphs. This improves upon the previous best known approximation guarantees of 5, using a linear program formulation (Kalhan et al., 2019), and 40, for a combinatorial algorithm (Davies et al., 2023a). We extend this algorithm by a greedy joining heuristic and show empirically that it improves the state of the art in solution quality and runtime on several benchmark datasets.
We consider a model selection problem for structural equation modeling (SEM) with latent variables for diffusion processes based on high-frequency data. First, we propose the quasi-Akaike information criterion of the SEM and study the asymptotic properties. Next, we consider the situation where the set of competing models includes some misspecified parametric models. It is shown that the probability of choosing the misspecified models converges to zero. Furthermore, examples and simulation results are given.
Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer from over-smoothing for problems involving very fine mesh. In this work, we develop a multiscale mesh-based GNN framework mimicking a conventional iterative multigrid solver, coupled with adaptive mesh refinement (AMR), to mitigate challenges with conventional mesh-based GNNs. We use the framework to accelerate phase field (PF) fracture problems involving coupled partial differential equations with a near-singular operator due to near-zero modulus inside the crack. We define the initial graph representation using all mesh resolution levels. We perform a series of downsampling steps using Transformer MP GNNs to reach the coarsest graph followed by upsampling steps to reach the original graph. We use skip connectors from the generated embedding during coarsening to prevent over-smoothing. We use Transfer Learning (TL) to significantly reduce the size of training datasets needed to simulate different crack configurations and loading conditions. The trained framework showed accelerated simulation times, while maintaining high accuracy for all cases compared to physics-based PF fracture model. Finally, this work provides a new approach to accelerate a variety of mesh-based engineering multiphysics problems
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