scholarly journals One-Step Estimation with Scaled Proximal Methods

Author(s):  
Robert Bassett ◽  
Julio Deride

We study statistical estimators computed using iterative optimization methods that are not run until completion. Classical results on maximum likelihood estimators (MLEs) assert that a one-step estimator (OSE), in which a single Newton-Raphson iteration is performed from a starting point with certain properties, is asymptotically equivalent to the MLE. We further develop these early-stopping results by deriving properties of one-step estimators defined by a single iteration of scaled proximal methods. Our main results show the asymptotic equivalence of the likelihood-based estimator and various one-step estimators defined by scaled proximal methods. By interpreting OSEs as the last of a sequence of iterates, our results provide insight on scaling numerical tolerance with sample size. Our setting contains scaled proximal gradient descent applied to certain composite models as a special case, making our results applicable to many problems of practical interest. Additionally, our results provide support for the utility of the scaled Moreau envelope as a statistical smoother by interpreting scaled proximal descent as a quasi-Newton method applied to the scaled Moreau envelope.

Atmosphere ◽  
2021 ◽  
Vol 12 (2) ◽  
pp. 260
Author(s):  
Mario Raffa ◽  
Alfredo Reder ◽  
Marianna Adinolfi ◽  
Paola Mercogliano

Recently, the European Centre for Medium Range Weather Forecast (ECMWF) has released a new generation of reanalysis, acknowledged as ERA5, representing at the present the most plausible picture for the current climate. Although ERA5 enhancements, in some cases, its coarse spatial resolution (~31 km) could still discourage a direct use of precipitation fields. Such a gap could be faced dynamically downscaling ERA5 at convection permitting scale (resolution < 4 km). On this regard, the selection of the most appropriate nesting strategy (direct one-step against nested two-step) represents a pivotal issue for saving time and computational resources. Two questions may be raised within this context: (i) may the dynamical downscaling of ERA5 accurately represents past precipitation patterns? and (ii) at what extent may the direct nesting strategy performances be adequately for this scope? This work addresses these questions evaluating two ERA5-driven experiments at ~2.2 km grid spacing over part of the central Europe, run using the regional climate model COSMO-CLM with different nesting strategies, for the period 2007–2011. Precipitation data are analysed at different temporal and spatial scales with respect to gridded observational datasets (i.e., E-OBS and RADKLIM-RW) and existing reanalysis products (i.e., ERA5-Land and UERRA). The present work demonstrates that the one-step experiment tendentially outperforms the two-step one when there is no spectral nudging, providing results at different spatial and temporal scales in line with the other existing reanalysis products. However, the results can be highly model and event dependent as some different aspects might need to be considered (i.e., the nesting strategies) during the configuration phase of the climate experiments. For this reason, a clear and consolidated recommendation on this topic cannot be stated. Such a level of confidence could be achieved in future works by increasing the number of cities and events analysed. Nevertheless, these promising results represent a starting point for the optimal experimental configuration assessment, in the frame of future climate studies.


2021 ◽  
Vol 11 (9) ◽  
pp. 3827
Author(s):  
Blazej Nycz ◽  
Lukasz Malinski ◽  
Roman Przylucki

The article presents the results of multivariate calculations for the levitation metal melting system. The research had two main goals. The first goal of the multivariate calculations was to find the relationship between the basic electrical and geometric parameters of the selected calculation model and the maximum electromagnetic buoyancy force and the maximum power dissipated in the charge. The second goal was to find quasi-optimal conditions for levitation. The choice of the model with the highest melting efficiency is very important because electromagnetic levitation is essentially a low-efficiency process. Despite the low efficiency of this method, it is worth dealing with it because is one of the few methods that allow melting and obtaining alloys of refractory reactive metals. The research was limited to the analysis of the electromagnetic field modeled three-dimensionally. From among of 245 variants considered in the article, the most promising one was selected characterized by the highest efficiency. This variant will be a starting point for further work with the use of optimization methods.


Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 954 ◽  
Author(s):  
Brenda Antoinette Barnard ◽  
Frederick Johannes Willem Jacobus Labuschagné

The synthesis of Mg-Al, Ca-Al, Zn-Al and Cu-Al layered double hydroxides (LDHs) was investigated with a one-step wet mechanochemical route. The research aims to expand on the mechanochemical synthesis of LDH using a mill designed for wet grinding application. A 10% slurry of solids was added to a Netzsch LME 1 horizontal bead mill and milled for 1 h at 2000 rpm. Milling conditions were selected according to machine limitations and as an initial exploratory starting point. Precursor materials selected consisted of a mixture of oxides, hydroxides and basic carbonates. Samples obtained were divided such that half was filtered and dried at 60 °C for 12 h. The remaining half of the samples were further subjected to ageing at 80 °C for 24 h as a possible second step to the synthesis procedure. Synthesis conditions, such as selected precursor materials and the MII:MIII ratio, were adapted from existing mechanochemical methods. LDH synthesis prior to ageing was successful with precursor materials observably present within each sample. No Cu-Al LDH was clearly identifiable. Ageing of samples resulted in an increase in the conversion of raw materials to LDH product. The research offers a promising ‘green’ method for LDH synthesis without the production of environmentally harmful salt effluent. The synthesis technique warrants further exploration with potential for future commercial up-scaling.


2019 ◽  
Vol 15 ◽  
pp. 60-66 ◽  
Author(s):  
Antonella Petri ◽  
Valeria Colonna ◽  
Oreste Piccolo

Chiral N-heterocyclic molecules and in particular compounds with an amino functional group such as 3-aminopiperidine are valuable intermediates for the production of a large number of bioactive compounds with pharmacological properties. In this paper, the synthesis of both enantiomers of 3-amino-1-Boc-piperidine by amination of the prochiral precursor 1-Boc-3-piperidone using immobilized ω-transaminases (TAs-IMB), isopropylamine as amine donor and pyridoxal-5’-phosphate (PLP) as cofactor is described. Compared to other methods, the present approach affords the target compound in just one step with high yield and high enantiomeric excess starting from a commercial substrate. The reaction was carried out by using different commercially available immobilized enzymes, evaluating the catalytic activity and the enantioselectivity under different experimental conditions. Re-use of the most efficient enzyme was performed both in batch and in a semi-continuous system. The selected biocatalyst showed good stability under the reaction conditions providing consistent results in terms of conversion and enantiomeric excess after several cycles. The reported results may be of practical interest in view of the development of this sustainable approach to an industrial scale.


2021 ◽  
Author(s):  
Ben Stephens Hemingway ◽  
Paul Swinton ◽  
Ben Ogorek

Fitting an FFM via NLS in practice assumes that a unique optimal solution exists and can be found by the algorithm applied. However, this idealistic scenario may not hold for two reasons: 1) the absolute minimum may not be unique; and 2) local minima, saddle points, and/or plateau features may exist that cause problems for certain algorithms. If there exist different parameter sets in the domain that share the same global minimum under standard NLS, then there is a situation where parameters aren’t uniquely identified without additional constraints or regularisation terms. However, more likely is that problems with the typical FFM fitting process will stem from the existence of local minima, saddles, or plateau features that cause the algorithm to converge to a solution not equal to the global minimum. Local optima can provoke sensitivities in the fitting process for first and second-order algorithms that are by definition local optimisers. This manifests as sensitivity to initial parameter estimates (i.e., the starting point the algorithm initialises the search from). The extent of starting point sensitivity is largely unknown in the context of FFMs for common algorithms adopted and has not been studied directly. Given this concern, research reporting a single model solution derived from ‘one shot’ minimisation of NLS via typical first and second-order algorithms is fundamentally limited by possible uncertainty as to the suitability of fitted estimates as global minimisers. Therefore, the primary aim of this study was to investigate the sensitivity of a classical first-order search algorithm to selection of initial estimates when fitting a fitness-fatigue model (FFM) via nonlinear least-squares (NLS), and to subsequently assess the existence of local optima. A secondary aim of this study was to examine the implications of any findings in relation to previous research and provide considerations for future experimentation. The aims of the study were addressed through a computer experiment (in silico) approach that adopted a deterministic assumption the FFM completely specified athlete response. Under this assumption, two FFMs (standard, and fitness-delay) were simulated under a set of hypothetical model inputs and manually selected ‘true’ parameter values (for each FFM), generating a set of synthetic performance data. The two FFMs were refitted to the synthetic performance data without noise (and under the same model inputs) by the quasi-Newton L-BFGS-B algorithm in a repetitive fashion initiated from multiple starting points in the parameter space, attempting to at each search recover the true parameter values. Estimates obtained from this process were then further transformed into prediction errors quantifying in-sample model fit across the iterations and non-true solutions. Within the standard model scenarios, 69.1-70.3% of solutions found were the true parameters. In contrast, within the fitness-delay model scenarios, 17.6-17.9% of solutions found were the true parameters. A large number of unique non-true solutions were found for both the standard model (N=275-353) and the fitness-delay model (N=383-550) in this idealistic environment. Many of the non-true extrema found by the algorithm were local minima or saddles. Strong in-sample model fit was also observed across non-true solutions for both models. Collectively, these results indicate the typical NLS approach to fitting FFMs is harder for a hill-climbing algorithm to solve than previously recognised in the literature, particularly for models of higher complexity. The findings of this study add weight to the hypothesis that there exists substantial doubt in reported estimates across prior literature where local optimisers have been used or models more complex than the standard FFM applied, particularly when optimisation procedures reported have lacked the relevant detail to indicate that these issues have been considered. Future research should consider the use of global optimisation algorithms, hybrid approaches, or different perspectives (e.g., Bayesian optimisation).


2009 ◽  
Vol 15 (1) ◽  
pp. 9-43
Author(s):  
Tobias Franke

By analyzing the European Security Strategy (ESS) this paper identifies five underlying key tensions which evolve around the questions: what are the threats the EU is facing, how (if at all) will it use force to counter these threats, what precisely are the objectives and interests Brussels seeks to achieve and defend and what capabilities does the EU need for these ends, how will it structure its interaction with the US/NATO, and what is the realm – the geographical scope – of the EU‘s security ambitions? The paper is well aware of the interlinkage of these questions but chooses geography as a starting point of analysis.


Computation ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 36
Author(s):  
Wisanlaya Pornprakun ◽  
Surattana Sungnul ◽  
Chanakarn Kiataramkul ◽  
Elvin James Moore

The sugar industry is of great importance to the Thai economy. In general, the government sets sugarcane prices at the beginning of each harvesting season based on type (fresh or fired), sweetness (sugar content) and gross weight. The main aim of the present research is to use optimal control to find optimal sugarcane harvesting policies for fresh and fired sugarcane for the four sugarcane producing regions of Thailand, namely North, Central, East and North-east, for harvesting seasons 2012/13, 2013/14, 2014/15, 2017/18 and 2018/19. The optimality problem is to determine the harvesting policy which gives maximum profit to the farmers subject to constraints on the maximum amount that can be cut in each day, where a harvesting policy is defined as the amount of each type of sugarcane harvested and delivered to the sugar factories during each day of a harvesting season. The results from the optimal control methods are also compared with results from three optimization methods, namely bi-objective, linear programming and quasi-Newton. The results suggest that discrete optimal control is the most effective of the five methods considered. The data used in this paper were obtained from the Ministry of Industry and the Ministry of Agriculture and Co-operatives of the Royal Thai government.


2019 ◽  
Vol 2019 (1) ◽  
Author(s):  
Wisanlaya Pornprakun ◽  
Surattana Sungnul ◽  
Chanakarn Kiataramkul ◽  
Elvin J. Moore

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