Decades of progress in simulation-based surrogate-assisted optimization and unprecedented growth in computational power have enabled researchers and practitioners to optimize previously intractable complex engineering problems. This paper investigates the possible benefit of a concurrent utilization of multiple simulation-based surrogate models to solve complex discrete optimization problems. To fulfill this, the so-called Self-Adaptive Multi-surrogate Assisted Efficient Global Optimization algorithm (SAMA-DiEGO), which features a two-stage online model management strategy, is proposed and further benchmarked on fifteen binary-encoded combinatorial and fifteen ordinal problems against several state-of-the-art non-surrogate or single surrogate assisted optimization algorithms. Our findings indicate that SAMA-DiEGO can rapidly converge to better solutions on a majority of the test problems, which shows the feasibility and advantage of using multiple surrogate models in optimizing discrete problems.
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Recent research has used deep learning to develop partial differential equation (PDE) models in science and engineering. The functional form of the PDE is determined by a neural network, and the neural network parameters are calibrated to available data. Calibration of the embedded neural network can be performed by optimizing over the PDE. Motivated by these applications, we rigorously study the optimization of a class of linear elliptic PDEs with neural network terms. The neural network parameters in the PDE are optimized using gradient descent, where the gradient is evaluated using an adjoint PDE. As the number of parameters become large, the PDE and adjoint PDE converge to a non-local PDE system. Using this limit PDE system, we are able to prove convergence of the neural network-PDE to a global minimum during the optimization. Finally, we use this adjoint method to train a neural network model for an application in fluid mechanics, in which the neural network functions as a closure model for the Reynolds-averaged Navier--Stokes (RANS) equations. The RANS neural network model is trained on several datasets for turbulent channel flow and is evaluated out-of-sample at different Reynolds numbers.
We present and analyze a parallel implementation of a parallel-in-time collocation method based on $\alpha$-circulant preconditioned Richardson iterations. While many papers explore this family of single-level, time-parallel "all-at-once" integrators from various perspectives, performance results of actual parallel runs are still scarce. This leaves a critical gap, because the efficiency and applicability of any parallel method heavily rely on the actual parallel performance, with only limited guidance from theoretical considerations. Further, challenges like selecting good parameters, finding suitable communication strategies, and performing a fair comparison to sequential time-stepping methods can be easily missed. In this paper, we first extend the original idea of these fixed point iterative approaches based on $\alpha$-circulant preconditioners to high-order collocation methods, adding yet another level of parallelization in time "across the method". We derive an adaptive strategy to select a new $\alpha$-circulant preconditioner for each iteration during runtime for balancing convergence rates, round-off errors, and inexactness of inner system solves for the individual time-steps. After addressing these more theoretical challenges, we present an open-source space- and time-parallel implementation and evaluate its performance for two different test problems.
Many software systems can be tuned for multiple objectives (e.g., faster runtime, less required memory, less network traffic or energy consumption, etc.). Optimizers built for different objectives suffer from "model disagreement"; i.e., they have different (or even opposite) insights and tactics on how to optimize a system. Model disagreement is rampant (at least for configuration problems). Yet prior to this paper, it has barely been explored. This paper shows that model disagreement can be mitigated via VEER, a one-dimensional approximation to the N-objective space. Since it is exploring a simpler goal space, VEER runs very fast (for eleven configuration problems). Even for our largest problem (with tens of thousands of possible configurations), VEER finds as good or better optimizations with zero model disagreements, three orders of magnitude faster (since its one-dimensional output no longer needs the sorting procedure). Based on the above, we recommend VEER as a very fast method to solve complex configuration problems, while at the same time avoiding model disagreement.
This paper develops and analyzes an accelerated proximal descent method for finding stationary points of nonconvex composite optimization problems. The objective function is of the form $f+h$ where $h$ is a proper closed convex function, $f$ is a differentiable function on the domain of $h$, and $\nabla f$ is Lipschitz continuous on the domain of $h$. The main advantage of this method is that it is "parameter-free" in the sense that it does not require knowledge of the Lipschitz constant of $\nabla f$ or of any global topological properties of $f$. It is shown that the proposed method can obtain an $\varepsilon$-approximate stationary point with iteration complexity bounds that are optimal, up to logarithmic terms over $\varepsilon$, in both the convex and nonconvex settings. Some discussion is also given about how the proposed method can be leveraged in other existing optimization frameworks, such as min-max smoothing and penalty frameworks for constrained programming, to create more specialized parameter-free methods. Finally, numerical experiments are presented to support the practical viability of the method.
Climate-induced disasters are and will continue to be on the rise, and thus search-and-rescue (SAR) operations, where the task is to localize and assist one or several people who are missing, become increasingly relevant. In many cases the rough location may be known and a UAV can be deployed to explore a given, confined area to precisely localize the missing people. Due to time and battery constraints it is often critical that localization is performed as efficiently as possible. In this work we approach this type of problem by abstracting it as an aerial view goal localization task in a framework that emulates a SAR-like setup without requiring access to actual UAVs. In this framework, an agent operates on top of an aerial image (proxy for a search area) and is tasked with localizing a goal that is described in terms of visual cues. To further mimic the situation on an actual UAV, the agent is not able to observe the search area in its entirety, not even at low resolution, and thus it has to operate solely based on partial glimpses when navigating towards the goal. To tackle this task, we propose AiRLoc, a reinforcement learning (RL)-based model that decouples exploration (searching for distant goals) and exploitation (localizing nearby goals). Extensive evaluations show that AiRLoc outperforms heuristic search methods as well as alternative learnable approaches, and that it generalizes across datasets, e.g. to disaster-hit areas without seeing a single disaster scenario during training. We also conduct a proof-of-concept study which indicates that the learnable methods outperform humans on average. Code and models have been made publicly available at //github.com/aleksispi/airloc.
In this work we consider stochastic gradient descent (SGD) for solving linear inverse problems in Banach spaces. SGD and its variants have been established as one of the most successful optimisation methods in machine learning, imaging and signal processing, etc. At each iteration SGD uses a single datum, or a small subset of data, resulting in highly scalable methods that are very attractive for large-scale inverse problems. Nonetheless, the theoretical analysis of SGD-based approaches for inverse problems has thus far been largely limited to Euclidean and Hilbert spaces. In this work we present a novel convergence analysis of SGD for linear inverse problems in general Banach spaces: we show the almost sure convergence of the iterates to the minimum norm solution and establish the regularising property for suitable a priori stopping criteria. Numerical results are also presented to illustrate features of the approach.
This paper proposes a flexible framework for inferring large-scale time-varying and time-lagged correlation networks from multivariate or high-dimensional non-stationary time series with piecewise smooth trends. Built on a novel and unified multiple-testing procedure of time-lagged cross-correlation functions with a fixed or diverging number of lags, our method can accurately disclose flexible time-varying network structures associated with complex functional structures at all time points. We broaden the applicability of our method to the structure breaks by developing difference-based nonparametric estimators of cross-correlations, achieve accurate family-wise error control via a bootstrap-assisted procedure adaptive to the complex temporal dynamics, and enhance the probability of recovering the time-varying network structures using a new uniform variance reduction technique. We prove the asymptotic validity of the proposed method and demonstrate its effectiveness in finite samples through simulation studies and empirical applications.
Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.
Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.
Recommender systems play a crucial role in mitigating the problem of information overload by suggesting users' personalized items or services. The vast majority of traditional recommender systems consider the recommendation procedure as a static process and make recommendations following a fixed strategy. In this paper, we propose a novel recommender system with the capability of continuously improving its strategies during the interactions with users. We model the sequential interactions between users and a recommender system as a Markov Decision Process (MDP) and leverage Reinforcement Learning (RL) to automatically learn the optimal strategies via recommending trial-and-error items and receiving reinforcements of these items from users' feedbacks. In particular, we introduce an online user-agent interacting environment simulator, which can pre-train and evaluate model parameters offline before applying the model online. Moreover, we validate the importance of list-wise recommendations during the interactions between users and agent, and develop a novel approach to incorporate them into the proposed framework LIRD for list-wide recommendations. The experimental results based on a real-world e-commerce dataset demonstrate the effectiveness of the proposed framework.
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