Boosting Bayesian parameter inference of nonlinear stochastic differential equation models by Hamiltonian scale separation

被引:9
作者
Albert, Carlo [1 ]
Ulzega, Simone [1 ]
Stoop, Ruedi [2 ,3 ]
机构
[1] Eawag, Swiss Fed Inst Aquat Sci & Technol, CH-8600 Dubendorf, Switzerland
[2] UZH ETHZ, Inst Neuroinformat, Irchel Campus, CH-8057 Zurich, Switzerland
[3] UZH ETHZ, Inst Computat Sci, Irchel Campus, CH-8057 Zurich, Switzerland
关键词
MOLECULAR-DYNAMICS; STATE; COMPUTATION; SELECTION; SYSTEMS;
D O I
10.1103/PhysRevE.93.043313
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Parameter inference is a fundamental problem in data-driven modeling. Given observed data that is believed to be a realization of some parameterized model, the aim is to find parameter values that are able to explain the observed data. In many situations, the dominant sources of uncertainty must be included into the model for making reliable predictions. This naturally leads to stochastic models. Stochastic models render parameter inference much harder, as the aim then is to find a distribution of likely parameter values. In Bayesian statistics, which is a consistent framework for data-driven learning, this so-called posterior distribution can be used to make probabilistic predictions. We propose a novel, exact, and very efficient approach for generating posterior parameter distributions for stochastic differential equation models calibrated to measured time series. The algorithm is inspired by reinterpreting the posterior distribution as a statistical mechanics partition function of an object akin to a polymer, where the measurements are mapped on heavier beads compared to those of the simulated data. To arrive at distribution samples, we employ a Hamiltonian Monte Carlo approach combined with a multiple time-scale integration. A separation of time scales naturally arises if either the number of measurement points or the number of simulation points becomes large. Furthermore, at least for one-dimensional problems, we can decouple the harmonic modes between measurement points and solve the fastest part of their dynamics analytically. Our approach is applicable to a wide range of inference problems and is highly parallelizable.
引用
收藏
页数:8
相关论文
共 33 条
[1]   A simulated annealing approach to approximate Bayes computations [J].
Albert, Carlo ;
Kunsch, Hans R. ;
Scheidegger, Andreas .
STATISTICS AND COMPUTING, 2015, 25 (06) :1217-1232
[2]   STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466
[3]  
[Anonymous], 1989, Methods of solution and applications
[4]  
Box G.E.P., 2011, BAYESIAN INFERENCE S, V40
[5]   Grey-box modelling of flow in sewer systems with state-dependent diffusion [J].
Breinholt, Anders ;
Thordarson, Fannar Orn ;
Moller, Jan Kloppenborg ;
Grum, Morten ;
Mikkelsen, Peter Steen ;
Madsen, Henrik .
ENVIRONMETRICS, 2011, 22 (08) :946-961
[6]   EXPLOITING THE ISOMORPHISM BETWEEN QUANTUM-THEORY AND CLASSICAL STATISTICAL-MECHANICS OF POLYATOMIC FLUIDS [J].
CHANDLER, D ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :4078-4095
[7]   SMC2: an efficient algorithm for sequential analysis of state space models [J].
Chopin, N. ;
Jacob, P. E. ;
Papaspiliopoulos, O. .
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY, 2013, 75 (03) :397-426
[8]   FOURIER PATH-INTEGRAL MONTE-CARLO METHODS - PARTIAL AVERAGING [J].
DOLL, JD ;
COALSON, RD ;
FREEMAN, DL .
PHYSICAL REVIEW LETTERS, 1985, 55 (01) :1-4
[9]   HYBRID MONTE-CARLO [J].
DUANE, S ;
KENNEDY, AD ;
PENDLETON, BJ ;
ROWETH, D .
PHYSICS LETTERS B, 1987, 195 (02) :216-222
[10]   EXACT STATISTICAL-ANALYSIS OF NONLINEAR DYNAMIC NUCLEAR-POWER REACTOR MODELS BY FOKKER-PLANCK METHOD .1. REACTOR WITH DIRECT POWER FEEDBACK [J].
DUTRE, WL ;
DEBOSSCHER, AF .
NUCLEAR SCIENCE AND ENGINEERING, 1977, 62 (03) :355-363