25,550 research outputs found
The approximate coordinate exchange algorithm for Bayesian optimal design of experiments
Optimal Bayesian experimental design typically involves maximising the expectation, with respect to the joint distribution of parameters and responses, of some appropriately chosen utility function. This objective function is usually not available in closed form and the design space can be of high dimensionality. The approximate coordinate exchange algorithm is proposed for this maximisation problem where a Gaussian process emulator is used to approximate the objective function. The algorithm can be used for arbitrary utility functions meaning we can consider fully Bayesian optimal design. It can also be used for those utility functions that result in pseudo-Bayesian designs such as the popular Bayesian D-optimality. The algorithm is demonstrated on a range of examples
Unscented Bayesian Optimization for Safe Robot Grasping
We address the robot grasp optimization problem of unknown objects
considering uncertainty in the input space. Grasping unknown objects can be
achieved by using a trial and error exploration strategy. Bayesian optimization
is a sample efficient optimization algorithm that is especially suitable for
this setups as it actively reduces the number of trials for learning about the
function to optimize. In fact, this active object exploration is the same
strategy that infants do to learn optimal grasps. One problem that arises while
learning grasping policies is that some configurations of grasp parameters may
be very sensitive to error in the relative pose between the object and robot
end-effector. We call these configurations unsafe because small errors during
grasp execution may turn good grasps into bad grasps. Therefore, to reduce the
risk of grasp failure, grasps should be planned in safe areas. We propose a new
algorithm, Unscented Bayesian optimization that is able to perform sample
efficient optimization while taking into consideration input noise to find safe
optima. The contribution of Unscented Bayesian optimization is twofold as if
provides a new decision process that drives exploration to safe regions and a
new selection procedure that chooses the optimal in terms of its safety without
extra analysis or computational cost. Both contributions are rooted on the
strong theory behind the unscented transformation, a popular nonlinear
approximation method. We show its advantages with respect to the classical
Bayesian optimization both in synthetic problems and in realistic robot grasp
simulations. The results highlights that our method achieves optimal and robust
grasping policies after few trials while the selected grasps remain in safe
regions.Comment: conference pape
Optimal experimental design for mathematical models of haematopoiesis.
The haematopoietic system has a highly regulated and complex structure in which cells are organized to successfully create and maintain new blood cells. It is known that feedback regulation is crucial to tightly control this system, but the specific mechanisms by which control is exerted are not completely understood. In this work, we aim to uncover the underlying mechanisms in haematopoiesis by conducting perturbation experiments, where animal subjects are exposed to an external agent in order to observe the system response and evolution. We have developed a novel Bayesian hierarchical framework for optimal design of perturbation experiments and proper analysis of the data collected. We use a deterministic model that accounts for feedback and feedforward regulation on cell division rates and self-renewal probabilities. A significant obstacle is that the experimental data are not longitudinal, rather each data point corresponds to a different animal. We overcome this difficulty by modelling the unobserved cellular levels as latent variables. We then use principles of Bayesian experimental design to optimally distribute time points at which the haematopoietic cells are quantified. We evaluate our approach using synthetic and real experimental data and show that an optimal design can lead to better estimates of model parameters
Machine Learning for Fluid Mechanics
The field of fluid mechanics is rapidly advancing, driven by unprecedented
volumes of data from field measurements, experiments and large-scale
simulations at multiple spatiotemporal scales. Machine learning offers a wealth
of techniques to extract information from data that could be translated into
knowledge about the underlying fluid mechanics. Moreover, machine learning
algorithms can augment domain knowledge and automate tasks related to flow
control and optimization. This article presents an overview of past history,
current developments, and emerging opportunities of machine learning for fluid
mechanics. It outlines fundamental machine learning methodologies and discusses
their uses for understanding, modeling, optimizing, and controlling fluid
flows. The strengths and limitations of these methods are addressed from the
perspective of scientific inquiry that considers data as an inherent part of
modeling, experimentation, and simulation. Machine learning provides a powerful
information processing framework that can enrich, and possibly even transform,
current lines of fluid mechanics research and industrial applications.Comment: To appear in the Annual Reviews of Fluid Mechanics, 202
Likelihood based observability analysis and confidence intervals for predictions of dynamic models
Mechanistic dynamic models of biochemical networks such as Ordinary
Differential Equations (ODEs) contain unknown parameters like the reaction rate
constants and the initial concentrations of the compounds. The large number of
parameters as well as their nonlinear impact on the model responses hamper the
determination of confidence regions for parameter estimates. At the same time,
classical approaches translating the uncertainty of the parameters into
confidence intervals for model predictions are hardly feasible.
In this article it is shown that a so-called prediction profile likelihood
yields reliable confidence intervals for model predictions, despite arbitrarily
complex and high-dimensional shapes of the confidence regions for the estimated
parameters. Prediction confidence intervals of the dynamic states allow a
data-based observability analysis. The approach renders the issue of sampling a
high-dimensional parameter space into evaluating one-dimensional prediction
spaces. The method is also applicable if there are non-identifiable parameters
yielding to some insufficiently specified model predictions that can be
interpreted as non-observability. Moreover, a validation profile likelihood is
introduced that should be applied when noisy validation experiments are to be
interpreted.
The properties and applicability of the prediction and validation profile
likelihood approaches are demonstrated by two examples, a small and instructive
ODE model describing two consecutive reactions, and a realistic ODE model for
the MAP kinase signal transduction pathway. The presented general approach
constitutes a concept for observability analysis and for generating reliable
confidence intervals of model predictions, not only, but especially suitable
for mathematical models of biological systems
An Induced Natural Selection Heuristic for Finding Optimal Bayesian Experimental Designs
Bayesian optimal experimental design has immense potential to inform the
collection of data so as to subsequently enhance our understanding of a variety
of processes. However, a major impediment is the difficulty in evaluating
optimal designs for problems with large, or high-dimensional, design spaces. We
propose an efficient search heuristic suitable for general optimisation
problems, with a particular focus on optimal Bayesian experimental design
problems. The heuristic evaluates the objective (utility) function at an
initial, randomly generated set of input values. At each generation of the
algorithm, input values are "accepted" if their corresponding objective
(utility) function satisfies some acceptance criteria, and new inputs are
sampled about these accepted points. We demonstrate the new algorithm by
evaluating the optimal Bayesian experimental designs for the previously
considered death, pharmacokinetic and logistic regression models. Comparisons
to the current "gold-standard" method are given to demonstrate the proposed
algorithm as a computationally-efficient alternative for moderately-large
design problems (i.e., up to approximately 40-dimensions)
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