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We applied physics-informed neural networks to solve the constitutive relations for nonlinear, path-dependent material behavior. As a result, the trained network not only satisfies all thermodynamic constraints but also instantly provides information about the current material state (i.e., free energy, stress, and the evolution of internal variables) under any given loading scenario without requiring initial data. One advantage of this work is that it bypasses the repetitive Newton iterations needed to solve nonlinear equations in complex material models. Additionally, strategies are provided to reduce the required order of derivative for obtaining the tangent operator. The trained model can be directly used in any finite element package (or other numerical methods) as a user-defined material model. However, challenges remain in the proper definition of collocation points and in integrating several non-equality constraints that become active or non-active simultaneously. We tested this methodology on rate-independent processes such as the classical von Mises plasticity model with a nonlinear hardening law, as well as local damage models for interface cracking behavior with a nonlinear softening law. In order to demonstrate the applicability of the methodology in handling complex path dependency in a three-dimensional (3D) scenario, we tested the approach using the equations governing a damage model for a three-dimensional interface model. Such models are frequently employed for intergranular fracture at grain boundaries. We have observed a perfect agreement between the results obtained through the proposed methodology and those obtained using the classical approach. Furthermore, the proposed approach requires significantly less effort in terms of implementation and computing time compared to the traditional methods.

In this paper, an optimization problem with uncertain constraint coefficients is considered. Possibility theory is used to model the uncertainty. Namely, a joint possibility distribution in constraint coefficient realizations, called scenarios, is specified. This possibility distribution induces a necessity measure in scenario set, which in turn describes an ambiguity set of probability distributions in scenario set. The distributionally robust approach is then used to convert the imprecise constraints into deterministic equivalents. Namely, the left-hand side of an imprecise constraint is evaluated by using a risk measure with respect to the worst probability distribution that can occur. In this paper, the Conditional Value at Risk is used as the risk measure, which generalizes the strict robust and expected value approaches, commonly used in literature. A general framework for solving such a class of problems is described. Some cases which can be solved in polynomial time are identified.

Graph Neural Networks (GNNs) have emerged as one of the leading approaches for machine learning on graph-structured data. Despite their great success, critical computational challenges such as over-smoothing, over-squashing, and limited expressive power continue to impact the performance of GNNs. In this study, inspired from the time-reversal principle commonly utilized in classical and quantum physics, we reverse the time direction of the graph heat equation. The resulted reversing process yields a class of high pass filtering functions that enhance the sharpness of graph node features. Leveraging this concept, we introduce the Multi-Scaled Heat Kernel based GNN (MHKG) by amalgamating diverse filtering functions' effects on node features. To explore more flexible filtering conditions, we further generalize MHKG into a model termed G-MHKG and thoroughly show the roles of each element in controlling over-smoothing, over-squashing and expressive power. Notably, we illustrate that all aforementioned issues can be characterized and analyzed via the properties of the filtering functions, and uncover a trade-off between over-smoothing and over-squashing: enhancing node feature sharpness will make model suffer more from over-squashing, and vice versa. Furthermore, we manipulate the time again to show how G-MHKG can handle both two issues under mild conditions. Our conclusive experiments highlight the effectiveness of proposed models. It surpasses several GNN baseline models in performance across graph datasets characterized by both homophily and heterophily.

In this paper, we are concerned with symmetric integrators for the nonlinear relativistic Klein--Gordon (NRKG) equation with a dimensionless parameter $0<\varepsilon\ll 1$, which is inversely proportional to the speed of light. The highly oscillatory property in time of this model corresponds to the parameter $\varepsilon$ and the equation has strong nonlinearity when $\eps$ is small. There two aspects bring significantly numerical burdens in designing numerical methods. We propose and analyze a novel class of symmetric integrators which is based on some formulation approaches to the problem, Fourier pseudo-spectral method and exponential integrators. Two practical integrators up to order four are constructed by using the proposed symmetric property and stiff order conditions of implicit exponential integrators. The convergence of the obtained integrators is rigorously studied, and it is shown that the accuracy in time is improved to be $\mathcal{O}(\varepsilon^{3} \hh^2)$ and $\mathcal{O}(\varepsilon^{4} \hh^4)$ for the time stepsize $\hh$. The near energy conservation over long times is established for the multi-stage integrators by using modulated Fourier expansions. These theoretical results are achievable even if large stepsizes are utilized in the schemes. Numerical results on a NRKG equation show that the proposed integrators have improved uniform error bounds, excellent long time energy conservation and competitive efficiency.

In this paper, we introduce a new first-order mixture integer-valued threshold autoregressive process, based on the binomial and negative binomial thinning operators. Basic probabilistic and statistical properties of this model are discussed. Conditional least squares (CLS) and conditional maximum likelihood (CML) estimators are derived and the asymptotic properties of the estimators are established. The inference for the threshold parameter is obtained based on the CLS and CML score functions. Moreover, the Wald test is applied to detect the existence of the piecewise structure. Simulation studies are considered, along with an application: the number of criminal mischief incidents in the Pittsburgh dataset.

We propose a novel algorithm for solving the composite Federated Learning (FL) problem. This algorithm manages non-smooth regularization by strategically decoupling the proximal operator and communication, and addresses client drift without any assumptions about data similarity. Moreover, each worker uses local updates to reduce the communication frequency with the server and transmits only a $d$-dimensional vector per communication round. We prove that our algorithm converges linearly to a neighborhood of the optimal solution and demonstrate the superiority of our algorithm over state-of-the-art methods in numerical experiments.

In this paper, efficient alternating direction implicit (ADI) schemes are proposed to solve three-dimensional heat equations with irregular boundaries and interfaces. Starting from the well-known Douglas-Gunn ADI scheme, a modified ADI scheme is constructed to mitigate the issue of accuracy loss in solving problems with time-dependent boundary conditions. The unconditional stability of the new ADI scheme is also rigorously proven with the Fourier analysis. Then, by combining the ADI schemes with a 1D kernel-free boundary integral (KFBI) method, KFBI-ADI schemes are developed to solve the heat equation with irregular boundaries. In 1D sub-problems of the KFBI-ADI schemes, the KFBI discretization takes advantage of the Cartesian grid and preserves the structure of the coefficient matrix so that the fast Thomas algorithm can be applied to solve the linear system efficiently. Second-order accuracy and unconditional stability of the KFBI-ADI schemes are verified through several numerical tests for both the heat equation and a reaction-diffusion equation. For the Stefan problem, which is a free boundary problem of the heat equation, a level set method is incorporated into the ADI method to capture the time-dependent interface. Numerical examples for simulating 3D dendritic solidification phenomenons are also presented.

With the emergence of Machine Learning, there has been a surge in leveraging its capabilities for problem-solving across various domains. In the code clone realm, the identification of type-4 or semantic clones has emerged as a crucial yet challenging task. Researchers aim to utilize Machine Learning to tackle this challenge, often relying on the BigCloneBench dataset. However, it's worth noting that BigCloneBench, originally not designed for semantic clone detection, presents several limitations that hinder its suitability as a comprehensive training dataset for this specific purpose. Furthermore, CLCDSA dataset suffers from a lack of reusable examples aligning with real-world software systems, rendering it inadequate for cross-language clone detection approaches. In this work, we present a comprehensive semantic clone and cross-language clone benchmark, GPTCloneBench by exploiting SemanticCloneBench and OpenAI's GPT-3 model. In particular, using code fragments from SemanticCloneBench as sample inputs along with appropriate prompt engineering for GPT-3 model, we generate semantic and cross-language clones for these specific fragments and then conduct a combination of extensive manual analysis, tool-assisted filtering, functionality testing and automated validation in building the benchmark. From 79,928 clone pairs of GPT-3 output, we created a benchmark with 37,149 true semantic clone pairs, 19,288 false semantic pairs(Type-1/Type-2), and 20,770 cross-language clones across four languages (Java, C, C#, and Python). Our benchmark is 15-fold larger than SemanticCloneBench, has more functional code examples for software systems and programming language support than CLCDSA, and overcomes BigCloneBench's qualities, quantification, and language variety limitations.

We provide a new sequent calculus that enjoys syntactic cut-elimination and strongly terminating backward proof search for the intuitionistic Strong L\"ob logic $\sf{iSL}$, an intuitionistic modal logic with a provability interpretation. A novel measure on sequents is used to prove both the termination of the naive backward proof search strategy, and the admissibility of cut in a syntactic and direct way, leading to a straightforward cut-elimination procedure. All proofs have been formalised in the interactive theorem prover Coq.

The proximal Galerkin finite element method is a high-order, low iteration complexity, nonlinear numerical method that preserves the geometric and algebraic structure of bound constraints in infinite-dimensional function spaces. This paper introduces the proximal Galerkin method and applies it to solve free boundary problems, enforce discrete maximum principles, and develop scalable, mesh-independent algorithms for optimal design. The paper leads to a derivation of the latent variable proximal point (LVPP) algorithm: an unconditionally stable alternative to the interior point method. LVPP is an infinite-dimensional optimization algorithm that may be viewed as having an adaptive barrier function that is updated with a new informative prior at each (outer loop) optimization iteration. One of the main benefits of this algorithm is witnessed when analyzing the classical obstacle problem. Therein, we find that the original variational inequality can be replaced by a sequence of semilinear partial differential equations (PDEs) that are readily discretized and solved with, e.g., high-order finite elements. Throughout this work, we arrive at several unexpected contributions that may be of independent interest. These include (1) a semilinear PDE we refer to as the entropic Poisson equation; (2) an algebraic/geometric connection between high-order positivity-preserving discretizations and certain infinite-dimensional Lie groups; and (3) a gradient-based, bound-preserving algorithm for two-field density-based topology optimization. The complete latent variable proximal Galerkin methodology combines ideas from nonlinear programming, functional analysis, tropical algebra, and differential geometry and can potentially lead to new synergies among these areas as well as within variational and numerical analysis.