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In this paper we propose a special type of aggregation function which generalizes the notion of Ordered Weighted Averaging Function - OWA. The resulting functions are called Dynamic Ordered Weighted Averaging Functions --- DYOWAs. This…
While likelihood is attractive in theory, its estimates by deep generative models (DGMs) are often broken in practice, and perform poorly for out of distribution (OOD) Detection. Various recent works started to consider alternative scores…
The projector augmented wave (PAW) method of Bl\"ochl linearly maps smooth pseudo wavefunctions to the highly oscillatory all-electron DFT orbitals. Compared to norm-conserving pseudopotentials (NCPP), PAW has the advantage of lower kinetic…
The challenge of Out-of-Distribution (OOD) generalization poses a foundational concern for the application of machine learning algorithms to risk-sensitive areas. Inspired by traditional importance weighting and propensity weighting…
In this paper, we develop a parameterized proximal point algorithm (P-PPA) for solving a class of separable convex programming problems subject to linear and convex constraints. The proposed algorithm is provable to be globally convergent…
Symbolic regression with polynomial neural networks and polynomial neural ordinary differential equations (ODEs) are two recent and powerful approaches for equation recovery of many science and engineering problems. However, these methods…
Approximate Bayesian Computation is a family of likelihood-free inference techniques that are well-suited to models defined in terms of a stochastic generating mechanism. In a nutshell, Approximate Bayesian Computation proceeds by computing…
The Quantum Approximate Optimisation Algorithm (QAOA) is a widely studied quantum-classical iterative heuristic for combinatorial optimisation. While QAOA targets problems in complexity class NP, the classical optimisation procedure…
Modern machine learning models deployed often encounter distribution shifts in real-world applications, manifesting as covariate or semantic out-of-distribution (OOD) shifts. These shifts give rise to challenges in OOD generalization and…
The quantum approximate optimization algorithm (QAOA) is a leading variational approach to combinatorial optimization, but its practical performance depends strongly on objective design, parameter search, and shot allocation. We present a…
For massive data, the family of subsampling algorithms is popular to downsize the data volume and reduce computational burden. Existing studies focus on approximating the ordinary least squares estimate in linear regression, where…
The Quantum Approximate Optimization Algorithm (QAOA) is suggested as a promising application on early quantum computers. Here, a quantum-inspired classical algorithm, the mean-field Approximate Optimization Algorithm (mean-field AOA), is…
The progressive hedging algorithm (PHA) is a cornerstone among algorithms for large-scale stochastic programming problems. However, its traditional implementation is hindered by some limitations, including the requirement to solve all…
The quantum approximate optimization algorithm (QAOA) is a near-term hybrid algorithm intended to solve combinatorial optimization problems, such as MaxCut. QAOA can be made to mimic an adiabatic schedule, and in the $p\to\infty$ limit the…
Compressive sensing claims that the sparse signals can be reconstructed exactly from many fewer measurements than traditionally believed necessary. One of issues ensuring the successful compressive sensing is to deal with the…
Decomposition-based multi-objective evolutionary algorithms (MOEAs) are widely used for solving multi-objective optimisation problems. However, their effectiveness depends on the consistency between the problems Pareto front shape and the…
In classic distributed graph problems, each instance on a graph specifies a space of feasible solutions (e.g. all proper ($\Delta+1$)-list-colorings of the graph), and the task of distributed algorithm is to construct a feasible solution…
This paper considers smooth convex optimization problems with many functional constraints. To solve this general class of problems we propose a new stochastic perturbed augmented Lagrangian method, called SGDPA, where a perturbation is…
In this paper we propose a method for the approximation of high-dimensional functions over finite intervals with respect to complete orthonormal systems of polynomials. An important tool for this is the multivariate classical analysis of…
We propose a novel stochastic approximation algorithm, termed PMQSopt, for solving weakly convex stochastic optimization problems involving expectation-valued functions. The algorithm is constructed by integrating the proximal method of…