We introduce a numerical framework for dispersive equations embedding their underlying resonance structure into the discretisation. This will allow us to resolve the nonlinear oscillations of the PDE and to approximate with high order accuracy a large class of equations under lower regularity assumptions than classical techniques require. The key idea to control the nonlinear frequency interactions in the system up to arbitrary high order thereby lies in a tailored decorated tree formalism. Our algebraic structures are close to the ones developed for singular SPDEs with Regularity Structures. We adapt them to the context of dispersive PDEs by using a novel class of decorations {which encode the dominant frequencies}. The structure proposed in this paper is new and gives a variant of the Butcher-Connes-Kreimer Hopf algebra on decorated trees. We observe a similar Birkhoff type factorisation as in SPDEs and perturbative quantum field theory. This factorisation allows us to single out oscillations and to optimise the local error by mapping it to the particular regularity of the solution. This use of the Birkhoff factorisation seems new in comparison to the literature. The field of singular SPDEs took advantage of numerical methods and renormalisation in perturbative quantum field theory by extending their structures via the adjunction of decorations and Taylor expansions. Now, through this work, Numerical Analysis is taking advantage of these extended structures and provides a new perspective on them.
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Rust is a modern systems language focused on performance and reliability. Complementing Rust's promise to provide "fearless concurrency", developers frequently exploit asynchronous message passing. Unfortunately, arbitrarily ordering sending and receiving messages to maximise computation-communication overlap (a popular optimisation to message-passing applications) opens up a Pandora's box of further subtle concurrency bugs. To guarantee deadlock-freedom by construction, we present Rumpsteak: a new Rust framework based on multiparty session types. Previous session type implementations in Rust are either built upon synchronous and blocking communication and/or limited to two-party interactions. Crucially, none support the arbitrary ordering of messages for efficiency. Rumpsteak instead targets asynchronous async/await code. Its unique ability is allowing developers to arbitrarily order send/receive messages while preserving deadlock-freedom. For this, Rumpsteak incorporates two recent advanced session type theories: (1) k-multiparty compatibility (kmc), which globally verifies the safety of a set of participants, and (2) asynchronous multiparty session subtyping, which locally verifies optimisations in the context of a single participant. Specifically, we propose a novel algorithm for asynchronous subtyping that is both sound and decidable. We first evaluate the performance and expressiveness of Rumpsteak against three previous Rust implementations. We discover that Rumpsteak is around 1.7--8.6x more efficient and can safely express many more examples by virtue of offering arbitrary message ordering. Secondly, we analyse the complexity of our new algorithm and benchmark it against kmc and a binary session subtyping algorithm. We find they are exponentially slower than Rumpsteak's.
Motivated by the Novikov equation and its peakon problem, we propose a new mixed type Hermite--Pad\'{e} approximation whose unique solution is a sequence of polynomials constructed with the help of Pfaffians. These polynomials belong to the family of recently proposed partial-skew-orthogonal polynomials. The relevance of partial-skew-orthogonal polynomials is especially visible in the approximation problem germane to the Novikov peakon problem so that we obtain explicit inverse formulae in terms of Pfaffians by reformulating the inverse spectral problem for the Novikov multipeakons. Furthermore, we investigate two Hermite--Pad\'{e} approximations for the related spectral problem of the discrete dual cubic string, and show that these approximation problems can also be solved in terms of partial-skew-orthogonal polynomials and nonsymmetric Cauchy biorthogonal polynomials. This formulation results in a new correspondence among several integrable lattices.
We study a quantum entanglement distribution switch serving a set of users in a star topology with equal-length links. The quantum switch, much like a quantum repeater, can perform entanglement swapping to extend entanglement across longer distances. Additionally, the switch is equipped with entanglement switching logic, enabling it to implement switching policies to better serve the needs of the network. In this work, the function of the switch is to create bipartite or tripartite entangled states among users at the highest possible rates at a fixed ratio. Using Markov chains, we model a set of randomized switching policies. Discovering that some are better than others, we present analytical results for the case where the switch stores one qubit per user, and find that the best policies outperform a time division multiplexing (TDM) policy for sharing the switch between bipartite and tripartite state generation. This performance improvement decreases as the number of users grows. The model is easily augmented to study the capacity region in the presence of quantum state decoherence and associated cut-off times for qubit storage, obtaining similar results. Moreover, decoherence-associated quantum storage cut-off times appear to have little effect on capacity in our identical-link system. We also study a smaller class of policies when the switch stores two qubits per user.
We establish a new perturbation theory for orthogonal polynomials using a Riemann-Hilbert approach and consider applications in numerical linear algebra and random matrix theory. We show that the orthogonal polynomials with respect to two measures can be effectively compared using the difference of their Stieltjes transforms on a suitably chosen contour. Moreover, when two measures are close and satisfy some regularity conditions, we use the theta functions of a hyperelliptic Riemann surface to derive explicit and accurate expansion formulae for the perturbed orthogonal polynomials. The leading error terms can be fully characterized by the difference of the Stieltjes transforms on the contour. The results are applied to analyze several numerical algorithms from linear algebra, including the Lanczos tridiagonalization procedure, the Cholesky factorization and the conjugate gradient algorithm (CGA). As a case study, we investigate these algorithms applied to a general spiked sample covariance matrix model by considering the eigenvector empirical spectral distribution and its limit, allowing for precise estimates on the algorithms as the number of iterations diverges. For this concrete random matrix model, beyond the first order expansion, we derive a mesoscopic central limit theorem for the associated orthogonal polynomials and other quantities relevant to numerical algorithms.
A genetic algorithm is suitable for exploring large search spaces as it finds an approximate solution. Because of this advantage, genetic algorithm is effective in exploring vast and unknown space such as molecular search space. Though the algorithm is suitable for searching vast chemical space, it is difficult to optimize pharmacological properties while maintaining molecular substructure. To solve this issue, we introduce a genetic algorithm featuring a constrained molecular inverse design. The proposed algorithm successfully produces valid molecules for crossover and mutation. Furthermore, it optimizes specific properties while adhering to structural constraints using a two-phase optimization. Experiments prove that our algorithm effectively finds molecules that satisfy specific properties while maintaining structural constraints.
We study the Personalized PageRank (PPR) algorithm, a local spectral method for clustering, which extracts clusters using locally-biased random walks around a given seed node. In contrast to previous work, we adopt a classical statistical learning setup, where we obtain samples from an unknown nonparametric distribution, and aim to identify sufficiently salient clusters. We introduce a trio of population-level functionals -- the normalized cut, conductance, and local spread, analogous to graph-based functionals of the same name -- and prove that PPR, run on a neighborhood graph, recovers clusters with small population normalized cut and large conductance and local spread. We apply our general theory to establish that PPR identifies connected regions of high density (density clusters) that satisfy a set of natural geometric conditions. We also show a converse result, that PPR can fail to recover geometrically poorly-conditioned density clusters, even asymptotically. Finally, we provide empirical support for our theory.
Flexibly modeling how an entire density changes with covariates is an important but challenging generalization of mean and quantile regression. While existing methods for density regression primarily consist of covariate-dependent discrete mixture models, we consider a continuous latent variable model in general covariate spaces, which we call DR-BART. The prior mapping the latent variable to the observed data is constructed via a novel application of Bayesian Additive Regression Trees (BART). We prove that the posterior induced by our model concentrates quickly around true generative functions that are sufficiently smooth. We also analyze the performance of DR-BART on a set of challenging simulated examples, where it outperforms various other methods for Bayesian density regression. Lastly, we apply DR-BART to two real datasets from educational testing and economics, to study student growth and predict returns to education. Our proposed sampler is efficient and allows one to take advantage of BART's flexibility in many applied settings where the entire distribution of the response is of primary interest. Furthermore, our scheme for splitting on latent variables within BART facilitates its future application to other classes of models that can be described via latent variables, such as those involving hierarchical or time series data.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
Similarity/Distance measures play a key role in many machine learning, pattern recognition, and data mining algorithms, which leads to the emergence of metric learning field. Many metric learning algorithms learn a global distance function from data that satisfy the constraints of the problem. However, in many real-world datasets that the discrimination power of features varies in the different regions of input space, a global metric is often unable to capture the complexity of the task. To address this challenge, local metric learning methods are proposed that learn multiple metrics across the different regions of input space. Some advantages of these methods are high flexibility and the ability to learn a nonlinear mapping but typically achieves at the expense of higher time requirement and overfitting problem. To overcome these challenges, this research presents an online multiple metric learning framework. Each metric in the proposed framework is composed of a global and a local component learned simultaneously. Adding a global component to a local metric efficiently reduce the problem of overfitting. The proposed framework is also scalable with both sample size and the dimension of input data. To the best of our knowledge, this is the first local online similarity/distance learning framework based on PA (Passive/Aggressive). In addition, for scalability with the dimension of input data, DRP (Dual Random Projection) is extended for local online learning in the present work. It enables our methods to be run efficiently on high-dimensional datasets, while maintains their predictive performance. The proposed framework provides a straightforward local extension to any global online similarity/distance learning algorithm based on PA.
Image segmentation is the process of partitioning the image into significant regions easier to analyze. Nowadays, segmentation has become a necessity in many practical medical imaging methods as locating tumors and diseases. Hidden Markov Random Field model is one of several techniques used in image segmentation. It provides an elegant way to model the segmentation process. This modeling leads to the minimization of an objective function. Conjugate Gradient algorithm (CG) is one of the best known optimization techniques. This paper proposes the use of the Conjugate Gradient algorithm (CG) for image segmentation, based on the Hidden Markov Random Field. Since derivatives are not available for this expression, finite differences are used in the CG algorithm to approximate the first derivative. The approach is evaluated using a number of publicly available images, where ground truth is known. The Dice Coefficient is used as an objective criterion to measure the quality of segmentation. The results show that the proposed CG approach compares favorably with other variants of Hidden Markov Random Field segmentation algorithms.
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