In physics, density $\rho(\cdot)$ is a fundamentally important scalar function to model, since it describes a scalar field or a probability density function that governs a physical process. Modeling $\rho(\cdot)$ typically scales poorly with parameter space, however, and quickly becomes prohibitively difficult and computationally expensive. One promising avenue to bypass this is to leverage the capabilities of denoising diffusion models often used in high-fidelity image generation to parameterize $\rho(\cdot)$ from existing scientific data, from which new samples can be trivially sampled from. In this paper, we propose $\rho$-Diffusion, an implementation of denoising diffusion probabilistic models for multidimensional density estimation in physics, which is currently in active development and, from our results, performs well on physically motivated 2D and 3D density functions. Moreover, we propose a novel hashing technique that allows $\rho$-Diffusion to be conditioned by arbitrary amounts of physical parameters of interest.
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We develop a sparse spectral method for a class of fractional differential equations, posed on $\mathbb{R}$, in one dimension. These equations can include sqrt-Laplacian, Hilbert, derivative and identity terms. The numerical method utilizes a basis consisting of weighted Chebyshev polynomials of the second kind in conjunction with their Hilbert transforms. The former functions are supported on $[-1,1]$ whereas the latter have global support. The global approximation space can contain different affine transformations of the basis, mapping $[-1,1]$ to other intervals. Remarkably, not only are the induced linear systems sparse, but the operator decouples across the different affine transformations. Hence, the solve reduces to solving $K$ independent sparse linear systems of size $\mathcal{O}(n)\times \mathcal{O}(n)$, with $\mathcal{O}(n)$ nonzero entries, where $K$ is the number of different intervals and $n$ is the highest polynomial degree contained in the sum space. This results in an $\mathcal{O}(n)$ complexity solve. Applications to fractional heat and wave equations are considered.
We give an alternative derivation of $(N,N)$-isogenies between fastKummer surfaces which complements existing works based on the theory oftheta functions. We use this framework to produce explicit formulae for thecase of $N = 3$, and show that the resulting algorithms are more efficient thanall prior $(3, 3)$-isogeny algorithms.
Finite element approximation for uniformly elliptic linear PDE of second order in nondivergence form
This paper proposes a novel technique for the approximation of strong solutions $u \in C(\overline{\Omega}) \cap W^{2,n}_\mathrm{loc}(\Omega)$ to uniformly elliptic linear PDE of second order in nondivergence form with continuous leading coefficient in nonsmooth domains by finite element methods. These solutions satisfy the Alexandrov-Bakelman-Pucci (ABP) maximum principle, which provides an a~posteriori error control for $C^1$ conforming approximations. By minimizing this residual, we obtain an approximation to the solution $u$ in the $L^\infty$ norm. Although discontinuous functions do not satisfy the ABP maximum principle, this approach extends to nonconforming FEM as well thanks to well-established enrichment operators. Convergence of the proposed FEM is established for uniform mesh-refinements. The built-in a~posteriori error control (even for inexact solve) can be utilized in adaptive computations for the approximation of singular solutions, which performs superiorly in the numerical benchmarks in comparison to the uniform mesh-refining algorithm.
The integer autoregressive (INAR) model is one of the most commonly used models in nonnegative integer-valued time series analysis and is a counterpart to the traditional autoregressive model for continuous-valued time series. To guarantee the integer-valued nature, the binomial thinning operator or more generally the generalized Steutel and van Harn operator is used to define the INAR model. However, the distributions of the counting sequences used in the operators have been determined by the preference of analyst without statistical verification so far. In this paper, we propose a test based on the mean and variance relationships for distributions of counting sequences and a disturbance process to check if the operator is reasonable. We show that our proposed test has asymptotically correct size and is consistent. Numerical simulation is carried out to evaluate the finite sample performance of our test. As a real data application, we apply our test to the monthly number of anorexia cases in animals submitted to animal health laboratories in New Zealand and we conclude that binomial thinning operator is not appropriate.
We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.
The volume function V(t) of a compact set S\in R^d is just the Lebesgue measure of the set of points within a distance to S not larger than t. According to some classical results in geometric measure theory, the volume function turns out to be a polynomial, at least in a finite interval, under a quite intuitive, easy to interpret, sufficient condition (called ``positive reach'') which can be seen as an extension of the notion of convexity. However, many other simple sets, not fulfilling the positive reach condition, have also a polynomial volume function. To our knowledge, there is no general, simple geometric description of such sets. Still, the polynomial character of $V(t)$ has some relevant consequences since the polynomial coefficients carry some useful geometric information. In particular, the constant term is the volume of S and the first order coefficient is the boundary measure (in Minkowski's sense). This paper is focused on sets whose volume function is polynomial on some interval starting at zero, whose length (that we call ``polynomial reach'') might be unknown. Our main goal is to approximate such polynomial reach by statistical means, using only a large enough random sample of points inside S. The practical motivation is simple: when the value of the polynomial reach , or rather a lower bound for it, is approximately known, the polynomial coefficients can be estimated from the sample points by using standard methods in polynomial approximation. As a result, we get a quite general method to estimate the volume and boundary measure of the set, relying only on an inner sample of points and not requiring the use any smoothing parameter. This paper explores the theoretical and practical aspects of this idea.
Partial differential equations (PDEs) have become an essential tool for modeling complex physical systems. Such equations are typically solved numerically via mesh-based methods, such as finite element methods, with solutions over the spatial domain. However, obtaining these solutions are often prohibitively costly, limiting the feasibility of exploring parameters in PDEs. In this paper, we propose an efficient emulator that simultaneously predicts the solutions over the spatial domain, with theoretical justification of its uncertainty quantification. The novelty of the proposed method lies in the incorporation of the mesh node coordinates into the statistical model. In particular, the proposed method segments the mesh nodes into multiple clusters via a Dirichlet process prior and fits Gaussian process models with the same hyperparameters in each of them. Most importantly, by revealing the underlying clustering structures, the proposed method can provide valuable insights into qualitative features of the resulting dynamics that can be used to guide further investigations. Real examples are demonstrated to show that our proposed method has smaller prediction errors than its main competitors, with competitive computation time, and identifies interesting clusters of mesh nodes that possess physical significance, such as satisfying boundary conditions. An R package for the proposed methodology is provided in an open repository.
In this paper we develop a classical algorithm of complexity $O(K \, 2^n)$ to simulate parametrized quantum circuits (PQCs) of $n$ qubits, where $K$ is the total number of one-qubit and two-qubit control gates. The algorithm is developed by finding $2$-sparse unitary matrices of order $2^n$ explicitly corresponding to any single-qubit and two-qubit control gates in an $n$-qubit system. Finally, we determine analytical expression of Hamiltonians for any such gate and consequently a local Hamiltonian decomposition of any PQC is obtained. All results are validated with numerical simulations.
Using validated numerical methods, interval arithmetic and Taylor models, we propose a certified predictor-corrector loop for tracking zeros of polynomial systems with a parameter. We provide a Rust implementation which shows tremendous improvement over existing software for certified path tracking.
A novel H3N3-2$_\sigma$ interpolation approximation for the Caputo fractional derivative of order $\alpha\in(1,2)$ is derived in this paper, which improves the popular L2C formula with (3-$\alpha$)-order accuracy. By an interpolation technique, the second-order accuracy of the truncation error is skillfully estimated. Based on this formula, a finite difference scheme with second-order accuracy both in time and in space is constructed for the initial-boundary value problem of the time fractional hyperbolic equation. It is well known that the coefficients' properties of discrete fractional derivatives are fundamental to the numerical stability of time fractional differential models. We prove the related properties of the coefficients of the H3N3-2$_\sigma$ approximate formula. With these properties, the numerical stability and convergence of the difference scheme are derived immediately by the energy method in the sense of $H^1$-norm. Considering the weak regularity of the solution to the problem at the starting time, a finite difference scheme on the graded meshes based on H3N3-2$_\sigma$ formula is also presented. The numerical simulations are performed to show the effectiveness of the derived finite difference schemes, in which the fast algorithms are employed to speed up the numerical computation.
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