Neural Network-Based Prediction of Vehicle Fuel Consumption Based on Driving Cycle Data

This paper deals with fuel consumption prediction based on vehicle velocity, acceleration, and road slope time series inputs. Several data-driven models are considered for this purpose, including linear regression models and neural network-based ones. The emphasis is on accounting for the road slope impact when forming the model inputs, in order to improve the prediction accuracy. A particular focus is devoted to conversion of length-varying driving cycles into fixed dimension inputs suitable for neural networks. The proposed prediction algorithms are parameterized and tested based on GPS- and CAN-based tracking data recorded on a number of city buses during their regular operation. The test results demonstrate that a proposed neural network-based approach provides a favorable prediction accuracy and reasonable execution speed, thus making it suitable for various applications such as vehicle routing optimization, synthetic driving cycle validation, transport planning and similar.

On minimal log discrepancies and kollár components

In this article, we prove a local implication of boundedness of Fano varieties. More precisely, we prove that $d$ -dimensional $a$ -log canonical singularities with standard coefficients, which admit an $\epsilon$ -plt blow-up, have minimal log discrepancies belonging to a finite set which only depends on $d,\,a$ and $\epsilon$ . This result gives a natural geometric stratification of the possible mld's in a fixed dimension by finite sets. As an application, we prove the ascending chain condition for minimal log discrepancies of exceptional singularities. We also introduce an invariant for klt singularities related to the total discrepancy of Kollár components.

An Application of an Unequal-Area Facilities Layout Problem with Fixed-Shape Facilities

The unequal-area facility layout problem (UA-FLP) is the problem of locating rectangular facilities on a rectangular floor space such that facilities do not overlap while optimizing some objective. The objective considered in this paper is minimizing the total distance materials travel between facilities. The UA-FLP considered in this paper considers facilities with fixed dimension and was motivated by the investigation of layout options for a production area at the Toyota Motor Manufacturing West Virginia (TMMWV) plant in Buffalo, WV, USA. This paper presents a mathematical model and a genetic algorithm for locating facilities on a continuous plant floor. More specifically, a genetic algorithm, which consists of a boundary search heuristic (BSH), a linear program, and a dual simplex method, is developed for an UA-FLP. To test the performance of the proposed technique, several test problems taken from the literature are used in the analysis. The results show that the proposed heuristic performs well with respect to solution quality and computational time.

A universal framework for featurization of atomistic systems

Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat large systems or long timescales. Reactive force fields based on physics or machine learning can be used to bridge the gap in time and length scales, but these force fields require substantial effort to construct and are highly specific to a given chemical composition and application. A significant limitation of machine learning models is the use of element-specific features, leading to models that scale poorly with the number of elements. This work introduces the Gaussian multipole (GMP) featurization scheme that utilizes physically-relevant multipole expansions of the electron density around atoms to yield feature vectors that interpolate between element types and have a fixed dimension regardless of the number of elements present. We combine GMP with neural networks to directly compare it to the widely used Behler-Parinello symmetry functions for the MD17 dataset, revealing that it exhibits improved accuracy and computational efficiency. Further, we demonstrate that GMP-based models can achieve chemical accuracy for the QM9 dataset, and their accuracy remains reasonable even when extrapolating to new elements. Finally, we test GMP-based models for the Open Catalysis Project (OCP) dataset, revealing comparable performance to graph convolutional deep learning models. The results indicate that this featurization scheme fills a critical gap in the construction of efficient and transferable machine-learned force fields.

Partial Separability and Functional Graphical Models for Multivariate Gaussian Processes

The covariance structure of multivariate functional data can be highly complex, especially if the multivariate dimension is large, making extensions of statistical methods for standard multivariate data to the functional data setting challenging. For example, Gaussian graphical models have recently been extended to the setting of multivariate functional data by applying multivariate methods to the coefficients of truncated basis expansions. However, a key difficulty compared to multivariate data is that the covariance operator is compact, and thus not invertible. The methodology in this paper addresses the general problem of covariance modelling for multivariate functional data, and functional Gaussian graphical models in particular. As a first step, a new notion of separability for the covariance operator of multivariate functional data is proposed, termed partial separability, leading to a novel Karhunen–Loève-type expansion for such data. Next, the partial separability structure is shown to be particularly useful in order to provide a well-defined functional Gaussian graphical model that can be identified with a sequence of finite-dimensional graphical models, each of identical fixed dimension. This motivates a simple and efficient estimation procedure through application of the joint graphical lasso. Empirical performance of the method for graphical model estimation is assessed through simulation and analysis of functional brain connectivity during a motor task.

Forecasting Software Using Laplacian AR Model based on Bootstrap-Reversible Jump MCMC: Application on Stock Price Data

The application of the Bootstrap-Metropolis-Hastings algorithm is limited to fixed dimension models. In various fields, data often has a variable dimension model. The Laplacian autoregressive (AR) model includes a variable dimension model so that the Bootstrap-Metropolis-Hasting algorithm cannot be applied. This article aims to develop a Bootstrap reversible jump Markov Chain Monte Carlo (MCMC) algorithm to estimate the Laplacian AR model. The parameters of the Laplacian AR model were estimated using a Bayesian approach. The posterior distribution has a complex structure so that the Bayesian estimator cannot be calculated analytically. The Bootstrap-reversible jump MCMC algorithm was applied to calculate the Bayes estimator. This study provides a procedure for estimating the parameters of the Laplacian AR model. Algorithm performance was tested using simulation studies. Furthermore, the algorithm is applied to the finance sector to predict stock price on the stock market. In general, this study can be useful for decision makers in predicting future events. The novelty of this study is the triangulation between the bootstrap algorithm and the reversible jump MCMC algorithm. The Bootstrap-reversible jump MCMC algorithm is useful especially when the data is large and the data has a variable dimension model. The study can be extended to the Laplacian Autoregressive Moving Average (ARMA) model.

A Learning-Based Hybrid Framework for Dynamic Balancing of Exploration-Exploitation: Combining Regression Analysis and Metaheuristics

The idea of hybrid approaches have become a powerful strategy for tackling several complex optimisation problems. In this regard, the present work is concerned with contributing with a novel optimisation framework, named learning-based linear balancer (LB2). A regression model is designed, with the objective to predict better movements for the approach and improve the performance. The main idea is to balance the intensification and diversification performed by the hybrid model in an online-fashion. In this paper, we employ movement operators of a spotted hyena optimiser, a modern algorithm which has proved to yield good results in the literature. In order to test the performance of our hybrid approach, we solve 15 benchmark functions, composed of unimodal, multimodal, and mutimodal functions with fixed dimension. Additionally, regarding the competitiveness, we carry out a comparison against state-of-the-art algorithms, and the sequential parameter optimisation procedure, which is part of multiple successful tuning methods proposed in the literature. Finally, we compare against the traditional implementation of a spotted hyena optimiser and a neural network approach, the respective statistical analysis is carried out. We illustrate experimental results, where we obtain interesting performance and robustness, which allows us to conclude that our hybrid approach is a competitive alternative in the optimisation field.

Three novel quantum-inspired swarm optimization algorithms using different bounded potential fields

Based on the behavior of the quantum particles, it is possible to formulate mathematical expressions to develop metaheuristic search optimization algorithms. This paper presents three novel quantum-inspired algorithms, which scenario is a particle swarm that is excited by a Lorentz, Rosen–Morse, and Coulomb-like square root potential fields, respectively. To show the computational efficacy of the proposed optimization techniques, the paper presents a comparative study with the classical particle swarm optimization (PSO), genetic algorithm (GA), and firefly algorithm (FFA). The algorithms are used to solve 24 benchmark functions that are categorized by unimodal, multimodal, and fixed-dimension multimodal. As a finding, the algorithm inspired in the Lorentz potential field presents the most balanced computational performance in terms of exploitation (accuracy and precision), exploration (convergence speed and acceleration), and simulation time compared to the algorithms previously mentioned. A deeper analysis reveals that a strong potential field inside a well with weak asymptotic behavior leads to better exploitation and exploration attributes for unimodal, multimodal, and fixed-multimodal functions.

Pre-derivations and description of non-strongly nilpotent filiform Leibniz algebras

In this paper we give the description of some non-strongly nilpotent Leibniz algebras. We pay our attention to the subclass of nilpotent Leibniz algebras, which is called filiform. Note that the set of filiform Leibniz algebras of fixed dimension can be decomposed into three disjoint families. We describe the pre-derivations of filiform Leibniz algebras for the first and second families and determine those algebras in the first two classes of filiform Leibniz algebras that are non-strongly nilpotent.