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Publications by William J. Welch


Fernandez M, Ban F, Woo G, Hsing M, Yamazaki T, LeBlanc E, et al. Toxic Colors: The Use of Deep Learning for Predicting Toxicity of Compounds Merely from Their Graphic Images. Journal of Chemical Information and Modeling. 2018;(in press).


Tomal JH, Welch WJ, Zamar RH. Discussion of Random-Projection Ensemble Classification by T. I. Cannings and R. J. Samworth. Journal of the Royal Statistical Society B [Internet]. 2017; 79: 1024-1025. DOI: 10.1111/rssb.12228 URL: http://dx.doi.org/10.1111/rssb.12228


Gattiker JR, Hamada MS, Higdon DM, Schonlau M, Welch WJ. Using a Gaussian Process as a Nonparametric Regression Model. Quality and Reliability Engineering International. 2016; 32: 673–680.
Chen H, Loeppky JL, Sacks J, Welch WJ. Analysis Methods for Computer Experiments: How to Assess and What Counts?. Statistical Science [Internet]. 2016; 31: 40–60. DOI: https://dx.doi.org/10.14288/1.0302078 URL: https://dx.doi.org/10.14288/1.0302078
Tomal JH, Welch WJ, Zamar RH. Exploiting Multiple Descriptor Sets in QSAR Studies. Journal of chemical information and modeling [Internet]. 2016; 56: 501–509. URL: http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00663


Tomal JH, Welch WJ, Zamar RH, others . Ensembling classification models based on phalanxes of variables with applications in drug discovery. The Annals of Applied Statistics [Internet]. 2015; 9: 69–93. URL: http://projecteuclid.org/euclid.aoas/1430226085


Shi T, Steyn D, Welch WJ. Air Quality Model Evaluation Using Gaussian Process Modelling and Empirical Orthogonal Function Decomposition. In Air Pollution Modeling and its Application XXIII [Internet]. Springer International Publishing; 2014. pp. 457–462. URL: http://link.springer.com/chapter/10.1007/978-3-319-04379-1_75


Chen H, Loeppky J, Sacks J, Welch W. Analysis Methods for Computer Experiments: How to Assess and What Counts? [Internet]. Tech. rep., University of British Columbia; 2013. URL: http://www.stat.ubc.ca/ will/docs/whatcounts.pdf


Yuan Y, Chipman HA, Welch WJ. Harvesting Classification Trees for Drug Discovery. Journal of chemical information and modeling [Internet]. 2012; 52: 3169–3180. URL: http://pubs.acs.org/doi/abs/10.1021/ci3000216


Hughes-Oliver JM, Brooks AD, Welch WJ, Khaledi MG, Hawkins D, S. Young S, et al. ChemModLab: A web-based cheminformatics modeling laboratory. In silico biology [Internet]. 2011; 11: 61–81. URL: http://content.iospress.com/articles/in-silico-biology/ci000016
Shen H, Welch WJ, Hughes-Oliver JM. Efficient, adaptive cross-validation for tuning and comparing models, with application to drug discovery. The Annals of Applied Statistics [Internet]. 2011;: 2668–2687. URL: http://www.jstor.org/stable/23069346


Yan G, Welch WJ, Zamar RH. Model-based linear clustering. Canadian Journal of Statistics [Internet]. 2010; 38: 716–737. URL: http://onlinelibrary.wiley.com/doi/10.1002/cjs.10082/full


Loeppky JL, Sacks J, Welch WJ. Choosing the Sample Size of a Computer Experiment: A Practical Guide. Technometrics [Internet]. 2009; 51: 366-376. DOI: 10.1198/TECH.2009.08040 URL: http://dx.doi.org/10.1198/TECH.2009.08040


X. Wang S, Salloum GA, Chipman HA, Welch WJ, S. Young S. Exploration of cluster structure-activity relationship analysis in efficient high-throughput screening. Journal of chemical information and modeling [Internet]. 2007; 47: 1206–1214. URL: http://pubs.acs.org/doi/abs/10.1021/ci600458n
Nagy B, Loeppky JL, Welch WJ. Fast Bayesian inference for Gaussian process models [Internet]. Technical Report 230, Dept. Statistics, Univ. British Columbia; 2007. URL: http://be.stat.ubc.ca/Research/TechReports/techreports/230.pdf
Nagy B, Loeppky JL, Welch WJ. Correlation parameterization in random function models to improve normal approximation of the likelihood or posterior. Dept. of Statistics, The University of British Columbia, URL http://stat. ubc. ca/Research/TechReports/techreports/229. pdf, Tech. Rep [Internet]. 2007; 229. URL: http://ftp.stat.ubc.ca/Research/TechReports/techreports/229.pdf


Loeppky J, Bingham D, Welch W. Computer model calibration or tuning in practice. Technometrics, submitted for publication [Internet]. 2006;. URL: https://www.stat.ubc.ca/Research/TechReports/techreports/221.pdf




Lam RLH, Welch WJ, Young SS. Uniform Coverage Designs for Molecule Selection. Technometrics [Internet]. [Taylor & Francis, Ltd., American Statistical Association, American Society for Quality]; 2002; 44: 99-109. URL: http://www.jstor.org/stable/1271254
Lim YB, Sacks J, Studden WJ, Welch WJ. Design and analysis of computer experiments when the output is highly correlated over the input space. Canadian Journal of Statistics [Internet]. 2002; 30: 109–126. URL: http://onlinelibrary.wiley.com/doi/10.2307/3315868/abstract
Wang Y, Chipman HA, Welch WJ. Mining nuggets of activity in high dimensional space from high throughput screening data. University of Waterloo URL=http://www.bisrg.uwaterloo.ca/archive/RR-02-01.pdf; 2002.
S. Young S, Lam RL, Welch WJ. Initial compound selection for sequential screening. Current Opinion in Drug Discovery and Development [Internet]. 2002; 5: 422–427. URL: http://genomics10.bu.edu/megonw/pdf/active_learning/sequential_screening_young.pdf


Chen VCP, Welch WJ. Statistical methods for deterministic biomathematical models. Proceedings of the 53rd session of the international statistical institute, Seoul, Korea [Internet]. 2001;. URL: http://scholar.google.com/scholar?cluster=15064797966098008106&hl=en&oi=scholarr


McMillan NJ, Sacks J, Welch WJ, Gao F. Analysis of protein activity data by Gaussian stochastic process models. Journal of Biopharmaceutical Statistics [Internet]. 1999; 9: 145–160. URL: http://www.tandfonline.com/doi/abs/10.1081/BIP-100101005
Mrawira D, Welch WJ, Schonlau M, Haas R. Sensitivity analysis of computer models: World Bank HDM-III model. Journal of Transportation Engineering [Internet]. 1999; 125: 421–428. URL: http://ascelibrary.org/doi/abs/10.1061/(ASCE)0733-947X(1999)125:5(421)
Abt M, Welch WJ, Sacks J. Design and analysis for modeling and predicting spatial contamination. Mathematical Geology [Internet]. 1999; 31: 1–22. URL: http://link.springer.com/article/10.1023/A:1007504329298


Aslett R, Buck RJ, Duvall SG, Sacks J, Welch WJ. Circuit optimization via sequential computer experiments: design of an output buffer. Journal of the Royal Statistical Society: Series C (Applied Statistics) [Internet]. 1998; 47: 31–48. URL: http://onlinelibrary.wiley.com/doi/10.1111/1467-9876.00096/abstract
Jones DR, Schonlau M, Welch WJ. Efficient global optimization of expensive black-box functions. Journal of Global optimization [Internet]. 1998; 13: 455–492. URL: http://link.springer.com/article/10.1023/A:1008306431147
Schonlau M, Welch WJ, Jones DR. Global versus local search in constrained optimization of computer models. Lecture Notes-Monograph Series [Internet]. 1998;: 11–25. URL: http://www.jstor.org/stable/4356058


Gough WA, Welch WJ. Efficient experimental design strategy for numerical ocean modelling. In Canadian Meteorological and Oceanographic Society Bulletin. 1997. pp. 95–102.


Gao F, Sacks J, Welch WJ. Predicting urban ozone levels and trends with semiparametric modeling. Journal of Agricultural, Biological, and Environmental Statistics [Internet]. 1996;: 404–425. URL: http://www.jstor.org/stable/1400436
Mirnazari MT, Welch WJ. Robust design for censored exponential data [Internet]. University of Waterloo; 1996. URL: http://www.bisrg.uwaterloo.ca/archive/RR-96-07.pdf
Welch WJ, Buck RJ, Sacks J, Wynn HP, Morris MD, Schonlau M. Response to James M. Lucas. Technometrics [Internet]. 1996; 38: 199–203. URL: http://www.tandfonline.com/doi/pdf/10.1080/00401706.1996.10484496


Chapman WL, Welch WJ, Bowman KP, Sacks J, Walsh JE. Arctic sea ice variability: Model sensitivities and a multidecadal simulation. Journal of Geophysical Research: Oceans [Internet]. 1994; 99: 919–935. URL: http://onlinelibrary.wiley.com/doi/10.1029/93JC02564/full
Mirnazari MT, Welch WJ. Criterion-robust optimal design. University of Waterloo; 1994.
Welch WJ, Fahey TJ. Correcting for covariates in permutation tests. University of Waterloo; 1994.



Bernardo MC, Buck R, Liu L, Nazaret WA, Sacks J, Welch WJ. Integrated circuit design optimization using a sequential strategy. Computer-Aided Design of Integrated Circuits and Systems, IEEE Transactions on [Internet]. 1992; 11: 361–372. URL: http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=124423
Welch WJ, Buck RJ, Sacks J, Wynn HP, Mitchell TJ, Morris MD. Screening, predicting, and computer experiments. Technometrics [Internet]. 1992; 34: 15–25. URL: http://www.tandfonline.com/doi/abs/10.1080/00401706.1992.10485229
Nair VN, Abraham B, MacKay J, Box G, Kacker RN, Lorenzen TJ, et al. Taguchi's parameter design: a panel discussion. Technometrics [Internet]. 1992; 34: 127–161. URL: http://amstat.tandfonline.com/doi/abs/10.1080/00401706.1992.10484904