SearcharxivSearch

arXiv subjects

Kosuke Suzuki

Publications and source records attributed to Kosuke Suzuki.

At least 19 recordsLinked to original sources

Bounded independence for the inverse star discrepancy

We give a random-bit-efficient construction for the inverse star discrepancy. For every fixed $u\in(0,1)$, $k$-wise independent uniform points $\boldsymbol{X}_1,\ldots,\boldsymbol{X}_N$ with $k=O(d(1+\log(1+N/d)))$ satisfy the Monte Carlo bound $D_N^*(\boldsymbol{X}_1,\ldots,\boldsymbol{X}_N) =O(\sqrt{d/N})$ with probability at least $u$. Consequently, $N=O(d\varepsilon^{-2})$ and $k=O(d(1+\log\varepsilon^{-1}))$ suffice to attain discrepancy at most $\varepsilon$. The proof isolates the finitely many moments required by a chaining argument and gives explicit constants. A random vector-valued polynomial over a finite field realizes the required bounded independence on a grid using $O(d^2(1+\log(1+N/d))\log N)$ random bits, rather than the $\Theta(dN\log(dN))$ bits used by independent grid sampling.

math.NA

Asymptotically optimal bracketing covers for anchored boxes with applications to star discrepancy

Bracketing covers and $\delta$-covers provide finite discretizations of the anchored boxes that define the star discrepancy. Let $N_{[]}(d,\delta)$ and $N(d,\delta)$ denote the corresponding bracketing and covering numbers. We prove the lower bounds \[ N_{[]}(d,\delta)\ge \lceil \delta^{-d}\rceil, \qquad N(d,\delta)\ge \left\lceil \frac{d!}{d^d}\,\delta^{-d}\right\rceil. \] We give two explicit constructions of bracketing covers. For every fixed $d$, together with the lower bound they imply $N_{[]}(d,\delta)=(1+o_d(1))\delta^{-d}$ as $\delta\downarrow0$. A first construction uses box-dependent anisotropic local grids and gives simple explicit bounds. A second, homothetic logarithmic-shell construction again attains this coefficient and gives $\limsup_{d\to\infty}N_{[]}(d,\delta)^{1/d}\le\delta^{-1}+e+O(\delta)$ as $\delta\downarrow0$. Combining these finite estimates with Gnewuch's general bracketing bound and a Hoeffding--Bernstein chaining argument shows that, for every $d,n\in\mathbb N$, there exists an $n$-point set with star discrepancy at most $2.3463\sqrt{d/n}$. Consequently, $\lceil5.5052d\varepsilon^{-2}\rceil$ points suffice for star discrepancy at most $\varepsilon$.

math.CO

Separation properties of scrambled digital nets and related random point sets

We study how standard randomization procedures affect the local geometry of quasi-Monte Carlo point sets, as measured by their minimum distance and mesh ratio. Although probabilistic selection within structured lattice families can produce quasi-uniform point sets, randomizing an existing low-discrepancy construction need not preserve quasi-uniformity. We first determine sharp probabilistic orders for Monte Carlo, jittered, and Latin hypercube sampling, whose mesh ratios diverge as positive powers of $N$. The orders are $\Theta_{\mathbb{P}}(N^{1/d}(\log N)^{1/d})$ for Monte Carlo sampling, $\Theta_{\mathbb{P}}(N^{1/(d+1)})$ for jittered sampling, and, for $d\ge 2$, $\Theta_{\mathbb{P}}(N^{1/d}(\log N)^{1/d})$ for Latin hypercube sampling. We also obtain a Weibull limit law for the minimum distance of jittered samples. For full Owen scrambling, every family of fixed-$t$ nets has minimum distance $O_{\mathbb{P}}(N^{-3/(2d)})$, and its mesh ratio is therefore $\Omega_{\mathbb{P}}(N^{1/(2d)})$. Under uniform coincidence and common-prefix conditions, these bounds are sharp up to logarithmic factors. Moreover, a single full Owen scrambling of any $(t,d)$-sequence is almost surely non-quasi-uniform. By contrast, for matrix and linear scrambling of binary digital nets with fixed $t$ in dimension $d\ge 2$, the mesh ratio is $O_{\mathbb{P}}(\log N)$, whereas it is $\Theta_{\mathbb{P}}(\log N)$ in the separate balanced-prefix affine-tail model. The model also yields the exact probabilistic order for one-dimensional binary digital $(0,m,1)$-nets under matrix or linear scrambling. These results demonstrate that the geometric effect of randomization is governed by whether it introduces local independence or shared algebraic randomness.

math.NA

Investigating the Electronic and Magnetic Properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$ Cathode Materials with X-ray Compton Scattering

We discuss electronic and magnetic properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$, a promising Na-ion battery cathode material. Using x-ray Compton scattering, SQUID magnetometry, and density-functional-theory based modeling, we probe how electrons and spins evolve during sodiation. By comparing Compton profiles of sodiated and desodiated samples, we show that oxygen 2$p$ orbitals drive the redox process, while transition-metal 3$d$ electrons become more delocalized, explaining the metallic phase at $x=2/3$. These profile differences define a quantitative descriptor for the sodiation range associated with improved conductivity. Electron holes on oxygen, reflected in oxygen magnetization, confirm the important role of oxygen in the electrochemical activity of the cathode.

cond-mat.mtrl-sci

Disproving the quasi-uniformity of the Halton sequences and of some Halton-type sequences

In this short article, we prove that the Halton sequence, one of the most well-known low-discrepancy sequences, is not quasi-uniform in any dimension $d \ge 2$ with any pairwise relatively prime bases. We further disprove the quasi-uniformity of some Halton-type sequences, including the $p$-dimensional Faure sequence in base $p$, $p \in \mathbb{P}$, which provides an alternative proof of the known results.

math.NT

Making the RANMAR pseudorandom number generator in LAMMPS up to four times faster, with an implementation of jump-ahead

Massively parallel molecular simulations require pseudorandom number streams that are provably non-overlapping and reproducible across thousands of compute units in parallel computing environments. In the widely used LAMMPS package, the standard RANMAR generator lacks a mathematically exact mechanism to jump ahead; distinct seeds are typically assigned instead, which does not ensure disjoint streams. We introduce a mathematically exact jump-ahead extension for RANMAR in LAMMPS. In practice, a single random sequence can be partitioned into consecutive, non-overlapping blocks of length $J$, with one block assigned to each compute unit under formal non-overlap guarantees. In our approach, we develop an algebraic reformulation that enables efficient jump-ahead even for very large $J$ by casting state advancement into polynomial computations over finite residue rings while keeping memory small. We implement the extension in C++ using Number Theory Library (NTL) and integrate it into LAMMPS without altering user workflows. Beyond enabling exact partitioning, converting the 24-bit floating-point recurrence to an equivalent 24-bit integer recurrence accelerates generation itself: across diverse CPUs, generation is approximately two to four times faster than the floating-point baseline. Computing very large jumps (e.g., $J \approx 2^{120}$) remains practical.

cs.MS

Coarse scrambling for Sobol' and Niederreiter sequences

We introduce coarse scrambling, a novel randomization for digital sequences that permutes blocks of digits in a mixed-radix representation. This construction is designed to preserve the powerful $(0,\mathbb{e},d)$-sequence property of the underlying points. For sufficiently smooth integrands, we prove that this method achieves the canonical $O(n^{-3+\epsilon})$ variance decay rate, matching that of standard Owen's scrambling. Crucially, we show that its maximal gain coefficient grows only logarithmically with dimension, $O(\log d)$, thus providing theoretical robustness against the curse of dimensionality affecting scrambled Sobol' sequences. Numerical experiments validate these findings and illustrate a practical trade-off: while Owen's scrambling is superior for integrands sensitive to low-dimensional projections, coarse scrambling is competitive for functions with low effective truncation dimension.

math.NA

Exact $\ell^\infty$-separation radius of Sobol' sequences in dimension 2

Quasi-uniformity is a fundamental geometric property of point sets, crucial for applications such as kernel interpolation, Gaussian process regression, and space-filling experimental designs. While quasi-Monte Carlo methods are widely recognized for their low-discrepancy characteristics, understanding their quasi-uniformity remains important for practical applications. For the two-dimensional Sobol' sequence, Sobol' and Shukhman (2007) conjectured that the separation radius of the first $N$ points achieves the optimal rate $N^{-1/2}$, which would imply quasi-uniformity. This conjecture was disproved by Goda (2024), who computed exact values of the $\ell^2$-separation radius for a sparse subsequence $N = 2^{2^v-1}$. However, the general behavior of the Sobol' sequence for arbitrary $N$ remained unclear. In this paper, we derive exact expressions for the $\ell^\infty$-separation radius of the first $N = 2^m$ points of the two-dimensional Sobol' sequence for all $m \in \mathbb{N}$. As an immediate consequence, we show that the separation radius of Sobol' points is $O(N^{-3/4})$, which is strictly worse than the optimal rate $N^{-1/2}$, revealing that the two-dimensional Sobol' sequence has a suboptimal mesh ratio that grows at least as $N^{1/4}$.

math.NA

Boundary-velocity error and stability of the accelerated multi-direct-forcing immersed boundary method

The multi-direct-forcing immersed boundary method allows for a small velocity error of the no-slip condition in moving-particle problems but suffers from numerical instability if simulation parameters are not carefully chosen. This study investigates the boundary-velocity error and numerical stability of the accelerated multi-direct-forcing immersed boundary method. An analysis of the discretized equations of body motion in moving boundary problems identifies a critical parameter that solely determines the numerical stability for the body motion. Additionally, numerical simulations reveal the optimal acceleration parameter that minimizes the velocity error of the no-slip condition and is independent of details of the boundary discretisation, the boundary shape, and spatial dimensionality. This study provides a guideline for establishing numerically stable simulations of moving boundary problems at optimal boundary-velocity error.

physics.flu-dyn

The median trick does not help for fully nested scrambling

In randomized quasi-Monte Carlo methods for numerical integration, average estimators based on digital nets with fully nested and linear scrambling are known to exhibit the same variance. In this note, we show that this equivalence does not extend to the median estimators. Specifically, while the median estimator with linear scrambling can achieve faster convergence for smooth integrands, the median estimator with fully nested scrambling does not exhibit this advantage.

math.NA

Probing the semiconductor-to-dirac semimetal transition in Na-Sb-Bi alloys with x-ray Compton scattering

We discuss electron redistribution during the semiconductor-to-Dirac semimetal transition in Na-Sb-Bi alloys using x-ray Compton scattering experiments combined with first-principles electronic structure modeling. A robust signature of the semiconductor-to-Dirac semimetal transition is identified in the spherically averaged Compton profile. We demonstrate how the number of electrons involved in this transition can be estimated to provide a novel descriptor for quantifying the strength of spin-orbit coupling responsible for driving the transition. The associated theoretical deviation of the Born charge of Na in Na$_3$Bi from the expected ionic charge of +1 is found to be consistent with the corresponding experimental value of about 10%. Our study also shows the sensitivity of the Compton scattering technique toward capturing the spillover of Bi 6p relativistic states onto Na sites.

cond-mat.mtrl-sci

On the quasi-uniformity properties of quasi-Monte Carlo point sets and sequences -- Part I: Lattices and Kronecker sequences

The discrepancy of a point set quantifies how well the points are distributed, with low-discrepancy point sets demonstrating exceptional uniform distribution properties. Such sets are integral to quasi-Monte Carlo methods, which approximate integrals over the unit cube for integrands of bounded variation. In contrast, quasi-uniform point sets are characterized by optimal separation and covering radii, making them well-suited for applications such as radial basis function approximation. This paper explores the quasi-uniformity properties of quasi-Monte Carlo point sets constructed from lattices and also Kronecker sequences. Specifically, we analyze rank-1 lattice point sets, Fibonacci lattice point sets, Frolov point sets, and Kronecker sequences (also referred to as $(n \boldsymbol{\alpha})$-sequences), providing insights into their potential for use in applications that require both low-discrepancy and quasi-uniform distribution. As an example, we show that the $(n \boldsymbol{\alpha})$-sequence with $\alpha_j = 2^{j/(d+1)}$ for $j \in \{1, 2, \ldots, d\}$ is quasi-uniform and has low-discrepancy. The quasi-uniformity properties of quasi-Monte Carlo digital nets and sequences will be studied in a companion paper.

math.NT

On the quasi-uniformity properties of quasi-Monte Carlo point sets and sequences -- Part II: digital nets and sequences

We study the quasi-uniformity properties of digital nets, a class of quasi-Monte Carlo point sets. Quasi-uniformity is a space-filling property used for instance in experimental designs and radial basis function approximation. However, it has not been investigated so far whether common low-discrepancy digital nets are quasi-uniform, with the exception of the two-dimensional Sobol' sequence, which has recently been shown not to be quasi-uniform. In this paper, with the goal of constructing quasi-uniform low-discrepancy digital nets, we introduce the notion of well-separated point sets and provide an algebraic criterion to determine whether a given sequence of digital nets is well-separated. Using this criterion, we present an example of a two-dimensional digital net which has low-discrepancy and is quasi-uniform. Additionally, we provide several counterexamples of low-discrepancy digital nets that are not quasi-uniform.

math.NT

Tractability results for integration in subspaces of the Wiener algebra

In this paper, we present some new (in-)tractability results related to the integration problem in subspaces of the Wiener algebra over the $d$-dimensional unit cube. We show that intractability holds for multivariate integration in the standard Wiener algebra in the deterministic setting, in contrast to polynomial tractability in an unweighted subspace of the Wiener algebra recently shown by Goda (2023). Moreover, we prove that multivariate integration in the subspace of the Wiener algebra introduced by Goda is strongly polynomially tractable if we switch to the randomized setting, where we obtain a better $\varepsilon$-exponent than the one implied by the standard Monte Carlo method. We also identify subspaces in which multivariate integration in the deterministic setting are (strongly) polynomially tractable and we compare these results with the bound which can be obtained via Hoeffding's inequality.

cs.CC

Compton scattering study of strong orbital delocalization in a LiNiO$_2$ cathode

Cobalt is used in Li-ion batteries, but it is expensive and could be replaced by nickel to deliver better performance at a lower cost. With this motivation, we discuss how the character of redox orbitals of LiNiO$_2$ can be ascertained through x-ray Compton scattering measurements combined with parallel first-principles simulations. Our analysis reveals the nature of hole states in Li-doped NiO resulting from the hybridization of O 2$p$ and Ni 3$d$ orbitals. Our study also gives insight into the ferromagnetic ground state and provides a pathway toward the rational design of next-generation battery materials.

cond-mat.mtrl-sci

Stein Variational Guided Model Predictive Path Integral Control: Proposal and Experiments with Fast Maneuvering Vehicles

This paper presents a novel Stochastic Optimal Control (SOC) method based on Model Predictive Path Integral control (MPPI), named Stein Variational Guided MPPI (SVG-MPPI), designed to handle rapidly shifting multimodal optimal action distributions. While MPPI can find a Gaussian-approximated optimal action distribution in closed form, i.e., without iterative solution updates, it struggles with the multimodality of the optimal distributions. This is due to the less representative nature of the Gaussian. To overcome this limitation, our method aims to identify a target mode of the optimal distribution and guide the solution to converge to fit it. In the proposed method, the target mode is roughly estimated using a modified Stein Variational Gradient Descent (SVGD) method and embedded into the MPPI algorithm to find a closed-form "mode-seeking" solution that covers only the target mode, thus preserving the fast convergence property of MPPI. Our simulation and real-world experimental results demonstrate that SVG-MPPI outperforms both the original MPPI and other state-of-the-art sampling-based SOC algorithms in terms of path-tracking and obstacle-avoidance capabilities. Source code: https://github.com/kohonda/proj-svg_mppi

cs.RO

A universal median quasi-Monte Carlo integration

We study quasi-Monte Carlo (QMC) integration over the multi-dimensional unit cube in several weighted function spaces with different smoothness classes. We consider approximating the integral of a function by the median of several integral estimates under independent and random choices of the underlying QMC point sets (either linearly scrambled digital nets or infinite-precision polynomial lattice point sets). Even though our approach does not require any information on the smoothness and weights of a target function space as an input, we can prove a probabilistic upper bound on the worst-case error for the respective weighted function space, where the failure probability converges to 0 exponentially fast as the number of estimates increases. Our obtained rates of convergence are nearly optimal for function spaces with finite smoothness, and we can attain a dimension-independent super-polynomial convergence for a class of infinitely differentiable functions. This implies that our median-based QMC rule is universal in the sense that it does not need to be adjusted to the smoothness and the weights of the function spaces and yet exhibits the nearly optimal rate of convergence. Numerical experiments support our theoretical results.

math.NA

Improved bounds on the gain coefficients for digital nets in prime power base

We study randomized quasi-Monte Carlo integration by scrambled nets. The scrambled net quadrature has long gained its popularity because it is an unbiased estimator of the true integral, allows for a practical error estimation, achieves a high order decay of the variance for smooth functions, and works even for $L^p$-functions with any $p\geq 1$. The variance of the scrambled net quadrature for $L^2$-functions can be evaluated through the set of the so-called gain coefficients. In this paper, based on the system of Walsh functions and the concept of dual nets, we provide improved upper bounds on the gain coefficients for digital nets in general prime power base. Our results explain the known bound by Owen (1997) for Faure sequences, the recently improved bound by Pan and Owen (2021) for digital nets in base 2 (including Sobol' sequences as a special case), and their finding that all the nonzero gain coefficients for digital nets in base 2 must be powers of two, all in a unified way.

math.NA