In this paper, we propose a novel eigenpair-splitting method, inspired by the divide-and-conquer strategy, for solving the generalized eigenvalue problem arising from the Kohn-Sham equation. Unlike the commonly used domain decomposition approach in divide-and-conquer, which solves the problem on a series of subdomains, our eigenpair-splitting method focuses on solving a series of subequations defined on the entire domain. This method is realized through the integration of two key techniques: a multi-mesh technique for generating approximate spaces for the subequations, and a soft-locking technique that allows for the independent solution of eigenpairs. Numerical experiments show that the proposed eigenpair-splitting method can dramatically enhance simulation efficiency, and its potential towards practical applications is also demonstrated well through an example of the HOMO-LUMO gap calculation. Furthermore, the optimal strategy for grouping eigenpairs is discussed, and the possible improvements to the proposed method are also outlined.
This paper proves a homomorphism between extensional formal semantics and distributional vector space semantics, demonstrating structural compatibility. Formal semantics models meaning as reference, using logical structures to map linguistic expressions to truth conditions, while distributional semantics represents meaning through word vectors derived from contextual usage. By constructing injective mappings that preserve semantic relationships, we show that every semantic function in an extensional model corresponds to a compatible vector space operation. This result respects compositionality and extends to function compositions, constant interpretations, and $n$-ary relations. Rather than pursuing unification, we highlight a mathematical foundation for hybrid cognitive models that integrate symbolic and sub-symbolic reasoning and semantics. These findings support multimodal language processing, aligning `meaning as reference' (Frege, Tarski) with `meaning as use' (Wittgenstein, Firth).
In this paper, a highly parallel and derivative-free martingale neural network learning method is proposed to solve Hamilton-Jacobi-Bellman (HJB) equations arising from stochastic optimal control problems (SOCPs), as well as general quasilinear parabolic partial differential equations (PDEs). In both cases, the PDEs are reformulated into a martingale formulation such that loss functions will not require the computation of the gradient or Hessian matrix of the PDE solution, while its implementation can be parallelized in both time and spatial domains. Moreover, the martingale conditions for the PDEs are enforced using a Galerkin method in conjunction with adversarial learning techniques, eliminating the need for direct computation of the conditional expectations associated with the martingale property. For SOCPs, a derivative-free implementation of the maximum principle for optimal controls is also introduced. The numerical results demonstrate the effectiveness and efficiency of the proposed method, which is capable of solving HJB and quasilinear parabolic PDEs accurately in dimensions as high as 10,000.
In this paper, we develop bound-preserving techniques for the Runge--Kutta (RK) discontinuous Galerkin (DG) method with compact stencils (cRKDG method) for hyperbolic conservation laws. The cRKDG method was recently introduced in [Q. Chen, Z. Sun, and Y. Xing, SIAM J. Sci. Comput., 46: A1327--A1351, 2024]. It enhances the compactness of the standard RKDG method, resulting in reduced data communication, simplified boundary treatments, and improved suitability for local time marching. This work improves the robustness of the cRKDG method by enforcing desirable physical bounds while preserving its compactness, local conservation, and high-order accuracy. Our method is extended from the seminal work of [X. Zhang and C.-W. Shu, J. Comput. Phys., 229: 3091--3120, 2010]. We prove that the cell average of the cRKDG method at each RK stage preserves the physical bounds by expressing it as a convex combination of three types of forward-Euler solutions. A scaling limiter is then applied after each RK stage to enforce pointwise bounds. Additionally, we explore RK methods with less restrictive time step sizes. Because the cRKDG method does not rely on strong-stability-preserving RK time discretization, it avoids its order barriers, allowing us to construct a four-stage, fourth-order bound-preserving cRKDG method. Numerical tests on challenging benchmarks are provided to demonstrate the performance of the proposed method.
In this paper, we address the challenge of Markov Chain Monte Carlo algorithms within the Approximate Bayesian Computation framework, which often get trapped in local optima due to their inherent local exploration mechanism. We propose a novel Global-Local ABC-MCMC algorithm that combines the "exploration" capabilities of global proposals with the "exploitation" finesse of local proposals. By integrating iterative importance resampling into the likelihood-free framework, we establish an effective global proposal distribution. We select the optimum mixture of global and local moves based on a unit cost version of expected squared jumped distance via sequential optimization. Furthermore, we propose two adaptive schemes: The first involves a normalizing flow-based probabilistic distribution learning model to iteratively improve the proposal for importance sampling, and the second focuses on optimizing the efficiency of the local sampler by utilizing Langevin dynamics and common random numbers. We numerically demonstrate that our method improves sampling efficiency and achieve more reliable convergence for complex posteriors. A software package implementing this method is available at //github.com/caofff/GL-ABC-MCMC.
Numerical schemes that conserve invariants have demonstrated superior performance in various contexts, and several unified methods have been developed for constructing such schemes. However, the mathematical properties of these schemes remain poorly understood, except in norm-preserving cases. This study introduces a novel analytical framework applicable to general energy-preserving schemes. The proposed framework is applied to Korteweg-de Vries (KdV)-type equations, establishing global existence and convergence estimates for the numerical solutions.
In this paper, we employ group rings and automorphism groups of binary linear codes to construct new record-breaking binary linear codes. We consider the semidirect product of abelian groups and cyclic groups and use these groups to construct linear codes. Finally, we obtain some linear codes which have better parameters than the code in \cite{bib5}. All the calculation results and corresponding data are listed in the paper or posted online.
In this paper, we study the embedded feature selection problem in linear Support Vector Machines (SVMs), in which a cardinality constraint is employed, leading to an interpretable classification model. The problem is NP-hard due to the presence of the cardinality constraint, even though the original linear SVM amounts to a problem solvable in polynomial time. To handle the hard problem, we first introduce two mixed-integer formulations for which novel semidefinite relaxations are proposed. Exploiting the sparsity pattern of the relaxations, we decompose the problems and obtain equivalent relaxations in a much smaller cone, making the conic approaches scalable. To make the best usage of the decomposed relaxations, we propose heuristics using the information of its optimal solution. Moreover, an exact procedure is proposed by solving a sequence of mixed-integer decomposed semidefinite optimization problems. Numerical results on classical benchmarking datasets are reported, showing the efficiency and effectiveness of our approach.
In this manuscript we present the tensor-train reduced basis method, a novel projection-based reduced-order model for the efficient solution of parameterized partial differential equations. Despite their popularity and considerable computational advantages with respect to their full order counterparts, reduced-order models are typically characterized by a considerable offline computational cost. The proposed approach addresses this issue by efficiently representing high dimensional finite element quantities with the tensor train format. This method entails numerous benefits, namely, the smaller number of operations required to compute the reduced subspaces, the cheaper hyper-reduction strategy employed to reduce the complexity of the PDE residual and Jacobian, and the decreased dimensionality of the projection subspaces for a fixed accuracy. We provide a posteriori estimates that demonstrate the accuracy of the proposed method, we test its computational performance for the heat equation and transient linear elasticity on three-dimensional Cartesian geometries.
In this paper, we propose a general meshless structure-preserving Galerkin method for solving dissipative PDEs on surfaces. By posing the PDE in the variational formulation and simulating the solution in the finite-dimensional approximation space spanned by (local) Lagrange functions generated with positive definite kernels, we obtain a semi-discrete Galerkin equation that inherits the energy dissipation property. The fully-discrete structure-preserving scheme is derived with the average vector field method. We provide a convergence analysis of the proposed method for the Allen-Cahn equation. The numerical experiments also verify the theoretical analysis including the convergence order and structure-preserving properties.
In this paper we use memory-distributed level set-based topology optimisation to design three-dimensional periodic piezoelectric materials with enhanced properties. We compare and assess several existing iterative solvers with respect to their weak scalability and find that an approximate Schur complement preconditioned generalized minimal residual method method demonstrates the best performance and scalability for solving the piezoelectric homogenisation equations. We use the developed techniques to computationally design high-resolution piezoelectric metamaterials with enhanced stiffness and piezoelectric properties that yield new insights into material design for sensor, hydrophone, and actuator applications. We suggest two robust structures with no fine-scale features features that exhibit enhanced piezoelectric properties several times larger than those of the base material. We find that level set-based topology optimisation is well suited to problems involving piezoelectricity and has the advantage of avoiding large regions of intermediate density material. Our memory-distributed level-set implementation is open source and provided for practitioners in the community.