Parallel processing of chemical information in a local area network .2. A parallel cross-validation procedure for artificial neural networks

被引:18
作者
Derks, EPPA
Beckers, MLM
Melssen, WJ
Buydens, LMC
机构
[1] Laboratory for Analytical Chemistry, Faculty of Science, Catholic University of Nijmegen, 6525 ED Nijmegen
来源
COMPUTERS & CHEMISTRY | 1996年 / 20卷 / 04期
关键词
D O I
10.1016/0097-8485(95)00085-2
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This paper describes a parallel cross-validation (PCV) procedure, for testing the predictive ability of multi-layer feed-forward (MLF) neural networks models, trained by the generalized delta learning rule. The PCV program has been parallelized to operate in a local area computer network. Development and execution of the parallel application was aided by the HYDRA programming environment, which is extensively described in Part I of this paper. A brief theoretical introduction on MLF networks is given and the problems, associated with the validation of predictive abilities, will be discussed. Furthermore, this paper comprises a general outline of the PCV program. Finally, the parallel PCV application is used to validate the predictive ability of an MLF network modeling a chemical non-linear function approximation problem which is described extensively in the literature. Copyright (C) 1996 Elsevier Science Ltd
引用
收藏
页码:439 / 448
页数:10
相关论文
共 17 条
[1]  
ABUNAWASS AM, 1993, SCI ARTIF NEURAL NET, P1966
[2]   RELATIONSHIP BETWEEN VARIABLE SELECTION AND DATA AUGMENTATION AND A METHOD FOR PREDICTION [J].
ALLEN, DM .
TECHNOMETRICS, 1974, 16 (01) :125-127
[3]  
Amato S., 1991, Neurocomputing, V3, P207, DOI 10.1016/0925-2312(91)90003-T
[4]  
[Anonymous], PARALLEL DISTRIBUTED
[5]  
[Anonymous], 1988, Journal of Chemometrics
[6]  
[Anonymous], 1989, MULTIVARIATE CALIBRA
[7]  
BOS A, 1993, THESIS U TWENTE NETH
[8]   PREDICTIVE ABILITY OF REGRESSION-MODELS .1. STANDARD-DEVIATION OF PREDICTION ERRORS (SDEP) [J].
CRUCIANI, G ;
BARONI, M ;
CLEMENTI, S ;
COSTANTINO, G ;
RIGANELLI, D ;
SKAGERBERG, B .
JOURNAL OF CHEMOMETRICS, 1992, 6 (06) :335-346
[9]   ROBUSTNESS ANALYSIS OF RADIAL BASE FUNCTION AND MULTILAYERED FEEDFORWARD NEURAL-NETWORK MODELS [J].
DERKS, EPPA ;
PASTOR, MSS ;
BUYDENS, LMC .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1995, 28 (01) :49-60
[10]   NEURAL NETWORKS USED AS A SOFT-MODELING TECHNIQUE FOR QUANTITATIVE DESCRIPTION OF THE RELATION BETWEEN PHYSICAL STRUCTURE AND MECHANICAL-PROPERTIES OF POLY(ETHYLENE-TEREPHTHALATE) YARNS [J].
DEWEIJER, AP ;
BUYDENS, L ;
KATEMAN, G ;
HEUVEL, HM .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1992, 16 (01) :77-86