Interior point methods are widely used for different types of mathematical optimization problems. Many implementations of interior point methods in use today rely on direct linear solvers to solve systems of equations in each iteration. The need to solve ever larger optimization problems more efficiently and the rise of hardware accelerators for general purpose computing has led to a large interest in using iterative linear solvers instead, with the major issue being inevitable ill-conditioning of the linear systems arising as the optimization progresses. We investigate the use of Krylov solvers for interior point methods in solving optimization problems from radiation therapy. We implement a prototype interior point method using a so called doubly augmented formulation of the Karush-Kuhn-Tucker (KKT) linear system of equations, originally proposed by Forsgren and Gill, and evaluate its performance on real optimization problems from radiation therapy. Crucially, our implementation uses a preconditioned conjugate gradient method with Jacobi preconditioning internally. Our measurements of the conditioning of the linear systems indicate that the Jacobi preconditioner improves the conditioning of the systems to a degree that they can be solved iteratively, but there is room for further improvement in that regard. Furthermore, profiling of our prototype code shows that it is suitable for GPU acceleration, which may further improve its performance in practice. Overall, our results indicate that our method can find solutions of acceptable accuracy in reasonable time, even with a simple Jacobi preconditioner.
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The problem of function approximation by neural dynamical systems has typically been approached in a top-down manner: Any continuous function can be approximated to an arbitrary accuracy by a sufficiently complex model with a given architecture. This can lead to high-complexity controls which are impractical in applications. In this paper, we take the opposite, constructive approach: We impose various structural restrictions on system dynamics and consequently characterize the class of functions that can be realized by such a system. The systems are implemented as a cascade interconnection of a neural stochastic differential equation (Neural SDE), a deterministic dynamical system, and a readout map. Both probabilistic and geometric (Lie-theoretic) methods are used to characterize the classes of functions realized by such systems.
A novel information-theoretic approach is proposed to assess the global practical identifiability of Bayesian statistical models. Based on the concept of conditional mutual information, an estimate of information gained for each model parameter is used to quantify the identifiability with practical considerations. No assumptions are made about the structure of the statistical model or the prior distribution while constructing the estimator. The estimator has the following notable advantages: first, no controlled experiment or data is required to conduct the practical identifiability analysis; second, unlike popular variance-based global sensitivity analysis methods, different forms of uncertainties, such as model-form, parameter, or measurement can be taken into account; third, the identifiability analysis is global, and therefore independent of a realization of the parameters. If an individual parameter has low identifiability, it can belong to an identifiable subset such that parameters within the subset have a functional relationship and thus have a combined effect on the statistical model. The practical identifiability framework is extended to highlight the dependencies between parameter pairs that emerge a posteriori to find identifiable parameter subsets. The applicability of the proposed approach is demonstrated using a linear Gaussian model and a non-linear methane-air reduced kinetics model. It is shown that by examining the information gained for each model parameter along with its dependencies with other parameters, a subset of parameters that can be estimated with high posterior certainty can be found.
Computer simulations have become essential for analyzing complex systems, but high-fidelity simulations often come with significant computational costs. To tackle this challenge, multi-fidelity computer experiments have emerged as a promising approach that leverages both low-fidelity and high-fidelity simulations, enhancing both the accuracy and efficiency of the analysis. In this paper, we introduce a new and flexible statistical model, the Recursive Non-Additive (RNA) emulator, that integrates the data from multi-fidelity computer experiments. Unlike conventional multi-fidelity emulation approaches that rely on an additive auto-regressive structure, the proposed RNA emulator recursively captures the relationships between multi-fidelity data using Gaussian process priors without making the additive assumption, allowing the model to accommodate more complex data patterns. Importantly, we derive the posterior predictive mean and variance of the emulator, which can be efficiently computed in a closed-form manner, leading to significant improvements in computational efficiency. Additionally, based on this emulator, we introduce three active learning strategies that optimize the balance between accuracy and simulation costs to guide the selection of the fidelity level and input locations for the next simulation run. We demonstrate the effectiveness of the proposed approach in a suite of synthetic examples and a real-world problem. An R package for the proposed methodology is provided in an open repository.
Realistic reservoir simulation is known to be prohibitively expensive in terms of computation time when increasing the accuracy of the simulation or by enlarging the model grid size. One method to address this issue is to parallelize the computation by dividing the model in several partitions and using multiple CPUs to compute the result using techniques such as MPI and multi-threading. Alternatively, GPUs are also a good candidate to accelerate the computation due to their massively parallel architecture that allows many floating point operations per second to be performed. The numerical iterative solver takes thus the most computational time and is challenging to solve efficiently due to the dependencies that exist in the model between cells. In this work, we evaluate the OPM Flow simulator and compare several state-of-the-art GPU solver libraries as well as custom developed solutions for a BiCGStab solver using an ILU0 preconditioner and benchmark their performance against the default DUNE library implementation running on multiple CPU processors using MPI. The evaluated GPU software libraries include a manual linear solver in OpenCL and the integration of several third party sparse linear algebra libraries, such as cuSparse, rocSparse, and amgcl. To perform our bench-marking, we use small, medium, and large use cases, starting with the public test case NORNE that includes approximately 50k active cells and ending with a large model that includes approximately 1 million active cells. We find that a GPU can accelerate a single dual-threaded MPI process up to 5.6 times, and that it can compare with around 8 dual-threaded MPI processes.
We propose a method for analyzing the distributed random coordinate descent algorithm for solving separable resource allocation problems in the context of an open multiagent system, where agents can be replaced during the process. In particular, we characterize the evolution of the distance to the minimizer in expectation by following a time-varying optimization approach which builds on two components. First, we establish the linear convergence of the algorithm in closed systems, in terms of the estimate towards the minimizer, for general graphs and appropriate step-size. Second, we estimate the change of the optimal solution after a replacement, in order to evaluate its effect on the distance between the current estimate and the minimizer. From these two elements, we derive stability conditions in open systems and establish the linear convergence of the algorithm towards a steady-state expected error. Our results enable to characterize the trade-off between speed of convergence and robustness to agent replacements, under the assumptions that local functions are smooth, strongly convex, and have their minimizers located in a given ball. The approach proposed in this paper can moreover be extended to other algorithms guaranteeing linear convergence in closed system.
Gradient methods are experiencing a growth in methodological and theoretical developments owing to the challenges of optimization problems arising in data science. Focusing on data science applications with expensive objective function evaluations yet inexpensive gradient function evaluations, gradient methods that never make objective function evaluations are either being rejuvenated or actively developed. However, as we show, such gradient methods are all susceptible to catastrophic divergence under realistic conditions for data science applications. In light of this, gradient methods which make use of objective function evaluations become more appealing, yet, as we show, can result in an exponential increase in objective evaluations between accepted iterates. As a result, existing gradient methods are poorly suited to the needs of optimization problems arising from data science. In this work, we address this gap by developing a generic methodology that economically uses objective function evaluations in a problem-driven manner to prevent catastrophic divergence and avoid an explosion in objective evaluations between accepted iterates. Our methodology allows for specific procedures that can make use of specific step size selection methodologies or search direction strategies, and we develop a novel step size selection methodology that is well-suited to data science applications. We show that a procedure resulting from our methodology is highly competitive with standard optimization methods on CUTEst test problems. We then show a procedure resulting from our methodology is highly favorable relative to standard optimization methods on optimization problems arising in our target data science applications. Thus, we provide a novel gradient methodology that is better suited to optimization problems arising in data science.
Mobile manipulators have been used for inspection, maintenance and repair tasks over the years, but there are some key limitations. Stability concerns typically require mobile platforms to be large in order to handle far-reaching manipulators, or for the manipulators to have drastically reduced workspaces to fit onto smaller mobile platforms. Therefore we propose a combination of two widely-used robots, the Clearpath Jackal unmanned ground vehicle and the Kinova Gen3 six degree-of-freedom manipulator. The Jackal has a small footprint and works well in low-clearance indoor environments. Extensive testing of localization, navigation and mapping using LiDAR sensors makes the Jackal a well developed mobile platform suitable for mobile manipulation. The Gen3 has a long reach with reasonable power consumption for manipulation tasks. A wrist camera for RGB-D sensing and a customizable end effector interface makes the Gen3 suitable for a myriad of manipulation tasks. Typically these features would result in an unstable platform, however with a few minor hardware and software modifications, we have produced a stable, high-performance mobile manipulation platform with significant mobility, reach, sensing, and maneuverability for indoor inspection tasks, without degradation of the component robots' individual capabilities. These assertions were investigated with hardware via semi-autonomous navigation to waypoints in a busy indoor environment, and high-precision self-alignment alongside planar structures for intervention tasks.
Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the diffusion term is configuration-dependent. One remedy is to construct a transform to a constant-diffusion process and sample the transformed process instead. In this work, we explain how coordinate-based and time-rescaling-based transforms can be used either individually or in combination to map a general class of variable-diffusion Brownian motion processes into constant-diffusion ones. The transforms are invertible, thus allowing recovery of the original dynamics. We motivate our methodology using examples in one dimension before then considering multivariate diffusion processes. We illustrate the benefits of the transforms through numerical simulations, demonstrating how the right combination of integrator and transform can improve computational efficiency and the order of convergence to the invariant distribution. Notably, the transforms that we derive are applicable to a class of multibody, anisotropic Stokes-Einstein diffusion that has applications in biophysical modelling.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
We introduce a generic framework that reduces the computational cost of object detection while retaining accuracy for scenarios where objects with varied sizes appear in high resolution images. Detection progresses in a coarse-to-fine manner, first on a down-sampled version of the image and then on a sequence of higher resolution regions identified as likely to improve the detection accuracy. Built upon reinforcement learning, our approach consists of a model (R-net) that uses coarse detection results to predict the potential accuracy gain for analyzing a region at a higher resolution and another model (Q-net) that sequentially selects regions to zoom in. Experiments on the Caltech Pedestrians dataset show that our approach reduces the number of processed pixels by over 50% without a drop in detection accuracy. The merits of our approach become more significant on a high resolution test set collected from YFCC100M dataset, where our approach maintains high detection performance while reducing the number of processed pixels by about 70% and the detection time by over 50%.
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