Search results for "least squares"
showing 10 items of 268 documents
Preliminary results on direct quantitative determination of cocaine in impregnated materials by infrared spectroscopy
2018
Abstract Partial least squares models were built for the direct determination of cocaine in seized impregnated smuggled materials. Measurements are based on the attenuated total reflectance middle infrared spectra (ATR-MIR) and diffuse reflectance spectra in the near range (DR-NIR) obtained directly from the surface of the impregnated materials. The aforementioned procedures offer fast, cheap and environmentally friendly green alternatives to the reference method based on the extraction of the drug and its quantification by gas chromatography. Additionally it has been verified that results found are statistically comparable with those obtained by the reference method with root mean square e…
Variable selection for the determination of total polar materials in fried oils by near infrared spectroscopy
2018
Total polar materials (TPM) content is considered as the best indicator and the most common parameter to check the quality of deep-frying oils. The development of simpler and quicker analytical techniques than the available methods to monitor oil quality in restaurants and fried food outlets is an important topic related to the human health. This paper reports a comparison of the variable selection of near infrared (NIR) spectra by multiple linear regression (MLR-NIR) with partial least squares (PLS-NIR) models for the quantification of TPM in fried vegetable oils. The use of PLS-NIR offers an alternative in laboratory bench equipment for the determination of TPM in oils employed for fryin…
Algorithms for Rational Discrete Least Squares Approximation Part I: Unconstrained Optimization
1976
In this paper a modification of L. Wittmeyer’s method ([1], [14]) for rational discrete least squares approximation is given which corrects for its failure to converge to a non-optimal point in general. The modification makes necessary very little additional computing effort only. It is analysed thoroughly with respect to its conditions for convergence and its numerical properties. A suitable implementation is shown to be benign in the sense of F. L. Bauer [2]. The algorithm has proven successful even in adverse situations.
Moving Least Squares Innovative Strategies For Sheet Forming Design
2011
In the last years a great interest in optimization algorithms aimed to design forming processes was demonstrated by many researches. Proper design methodologies to reduce times and costs have to be developed mostly based on computer aided procedures. Response surface methods (RSM) proved their effectiveness in the recent years also for the application in sheet metal forming aiming to reduce the number of numerical simulations. Actually, the main drawback of such method is the number of direct problem to be solved in order to reach good function approximations. A very interesting aspect in RSM application regards the possibility to build response surfaces basing on moving least squares appro…
A contribution on the optimization strategies based on moving least squares approximation for sheet metal forming design
2012
Computer-aided procedures to design and optimize forming processes are, nowadays, crucial research topics since industrial interest in costs and times reduction is always increasing. Many researchers have faced this research challenge with various approaches. Response surface methods (RSM) are probably the most known approaches since they proved their effectiveness in the recent years. With a peculiar attention to sheet metal forming process design, RSM should offer the possibility to reduce the number of numerical simulations which in many cases means to reduce design times and complexity. Actually, the number of direct problems (FEM simulations) to be solved in order to reach good functio…
Kernelizing LSPE(λ)
2007
We propose the use of kernel-based methods as underlying function approximator in the least-squares based policy evaluation framework of LSPE(λ) and LSTD(λ). In particular we present the 'kernelization' of model-free LSPE(λ). The 'kernelization' is computationally made possible by using the subset of regressors approximation, which approximates the kernel using a vastly reduced number of basis functions. The core of our proposed solution is an efficient recursive implementation with automatic supervised selection of the relevant basis functions. The LSPE method is well-suited for optimistic policy iteration and can thus be used in the context of online reinforcement learning. We use the hig…
MCR-ALS on metabolic networks: Obtaining more meaningful pathways
2015
[EN] With the aim of understanding the flux distributions across a metabolic network, i.e. within living cells, Principal Component Analysis (PCA) has been proposed to obtain a set of orthogonal components (pathways) capturing most of the variance in the flux data. The problems with this method are (i) that no additional information can be included in the model, and (ii) that orthogonality imposes a hard constraint, not always reasonably. To overcome these drawbacks, here we propose to use a more flexible approach such as Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) to obtain this set of biological pathways through the network. By using this method, different constraint…
A generalization of the orthogonal regression technique for life cycle inventory
2012
Life cycle assessment (LCA) is a method used to quantify the environmental impacts of a product, process, or service across its whole life cycle. One of the problems occurring when the system at hand involves processes delivering more than one valuable output is the apportionment of resource consumption and environmental burdens in the correct proportion amongst the products. The mathematical formulation of the problem is represented by the solution of an over-determined system of linear equations. The paper describes the application of an iterative algorithm for the implementation of least square regression to solve this over-determined system directly in its rectangular form. The applied …
TOWARD A SOLUTION OF ALLOCATION IN LIFE CYCLE INVENTORIES: THE USE OF LEAST SQUARES TECHNIQUES
2010
Purpose: The matrix method for the solution of the so-called inventory problem in LCA generally determines the inventory vector related to a specific system of processes by solving a system of linear equations. The paper proposes a new approach to deal with systems characterized by a rectangular (and thus non-invertible) coefficients matrix. The approach, based on the application of regression techniques, allows solving the system without using computational expedients such as the allocation procedure. Methods: The regression techniques used in the paper are (besides the ordinary least squares, OLS) total least squares (TLS) and data least squares (DLS). In this paper, the authors present t…
Online Metric Learning Methods Using Soft Margins and Least Squares Formulations
2012
Online metric learning using margin maximization has been introduced as a way to learn appropriate dissimilarity measures in an efficient way when information as pairs of examples is given to the learning system in a progressive way. These schemes have several practical advantages with regard to global ones in which a training set needs to be processed. On the other hand, they may suffer from a poor performance depending on the quality of the examples and the particular tuning or other implementation details. This paper formulates several online metric learning alternatives using a passive-aggressive schema. A new formulation of the online problem using least squares is also introduced. The…