Due to the very narrow beam used in millimeter wave communication (mmWave), beam alignment (BA) is a critical issue. In this work, we investigate the issue of mmWave BA and present a novel beam alignment scheme on the basis of a machine learning strategy, Bayesian optimization (BO). In this context, we consider the beam alignment issue to be a black box function and then use BO to find the possible optimal beam pair. During the BA procedure, this strategy exploits information from the measured beam pairs to predict the best beam pair. In addition, we suggest a novel BO algorithm based on the gradient boosting regression tree model. The simulation results demonstrate the spectral efficiency performance of our proposed schemes for BA using three different surrogate models. They also demonstrate that the proposed schemes can achieve spectral efficiency with a small overhead when compared to the orthogonal match pursuit (OMP) algorithm and the Thompson sampling-based multi-armed bandit (TS-MAB) method.
A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses, including diagnosis or prognosis of diseases and finding effective treatments for chronic diseases such as cancer. Boolean networks have emerged as a successful class of models for capturing the behavior of GRNs. In most practical settings, inference of GRNs should be achieved through limited and temporally sparse genomics data. A large number of genes in GRNs leads to a large possible topology candidate space, which often cannot be exhaustively searched due to the limitation in computational resources. This paper develops a scalable and efficient topology inference for GRNs using Bayesian optimization and kernel-based methods. Rather than an exhaustive search over possible topologies, the proposed method constructs a Gaussian Process (GP) with a topology-inspired kernel function to account for correlation in the likelihood function. Then, using the posterior distribution of the GP model, the Bayesian optimization efficiently searches for the topology with the highest likelihood value by optimally balancing between exploration and exploitation. The performance of the proposed method is demonstrated through comprehensive numerical experiments using a well-known mammalian cell-cycle network.
Finding the optimal design of a hydrodynamic or aerodynamic surface is often impossible due to the expense of evaluating the cost functions (say, with computational fluid dynamics) needed to determine the performances of the flows that the surface controls. In addition, inherent limitations of the design space itself due to imposed geometric constraints, conventional parameterization methods, and user bias can restrict {\it all} of the designs within a chosen design space regardless of whether traditional optimization methods or newer, data-driven design algorithms with machine learning are used to search the design space. We present a 2-pronged attack to address these difficulties: we propose (1) a methodology to create the design space using morphing that we call {\it Design-by-Morphing} (DbM); and (2) an optimization algorithm to search that space that uses a novel Bayesian Optimization (BO) strategy that we call {\it Mixed variable, Multi-Objective Bayesian Optimization} (MixMOBO). We apply this shape optimization strategy to maximize the power output of a hydrokinetic turbine. Applying these two strategies in tandem, we demonstrate that we can create a novel, geometrically-unconstrained, design space of a draft tube and hub shape and then optimize them simultaneously with a {\it minimum} number of cost function calls. Our framework is versatile and can be applied to the shape optimization of a variety of fluid problems.
Deep learning model inference is a key service in many businesses and scientific discovery processes. This paper introduces RIBBON, a novel deep learning inference serving system that meets two competing objectives: quality-of-service (QoS) target and cost-effectiveness. The key idea behind RIBBON is to intelligently employ a diverse set of cloud computing instances (heterogeneous instances) to meet the QoS target and maximize cost savings. RIBBON devises a Bayesian Optimization-driven strategy that helps users build the optimal set of heterogeneous instances for their model inference service needs on cloud computing platforms -- and, RIBBON demonstrates its superiority over existing approaches of inference serving systems using homogeneous instance pools. RIBBON saves up to 16% of the inference service cost for different learning models including emerging deep learning recommender system models and drug-discovery enabling models.
Changing conditions or environments can cause system dynamics to vary over time. To ensure optimal control performance, controllers should adapt to these changes. When the underlying cause and time of change is unknown, we need to rely on online data for this adaptation. In this paper, we will use time-varying Bayesian optimization (TVBO) to tune controllers online in changing environments using appropriate prior knowledge on the control objective and its changes. Two properties are characteristic of many online controller tuning problems: First, they exhibit incremental and lasting changes in the objective due to changes to the system dynamics, e.g., through wear and tear. Second, the optimization problem is convex in the tuning parameters. Current TVBO methods do not explicitly account for these properties, resulting in poor tuning performance and many unstable controllers through over-exploration of the parameter space. We propose a novel TVBO forgetting strategy using Uncertainty-Injection (UI), which incorporates the assumption of incremental and lasting changes. The control objective is modeled as a spatio-temporal Gaussian process (GP) with UI through a Wiener process in the temporal domain. Further, we explicitly model the convexity assumptions in the spatial dimension through GP models with linear inequality constraints. In numerical experiments, we show that our model outperforms the state-of-the-art method in TVBO, exhibiting reduced regret and fewer unstable parameter configurations.
Unmanned aerial vehicle (UAV) base stations (BSs) can help meet the dynamic traffic demand of flash mobile crowds, but user movements also pose a significant challenge on fast-tracking for avoiding service interruption. This paper presents a novel paralLEl Optimal deeP echo stAte netwoRk preDiction (LEOPARD) approach that can fast and accurately learn the movement of a user equipment (UE) to reduce its impact on the link performance from the UE to the UAV-BS. Improving the current learning technique of deep echo state network (ESN), LEOPARD consists further three key optimization and learning techniques. First, we develop a Bayesian-Optimization Algorithm (BOA)-based hyper-parameters adjustment method for improving movement prediction accuracy. Secondly, the Message Passing Interface (MPI) technique is integrated into the design of LEOPARD to reduce the time complexity caused by BOA. Last, we design a Kuhn-Munkres (KM)-based matching algorithm to save the re-positioning energy consumption of multiple UAV-BSs. As shown in our simulation results, the prediction accuracy of the proposed LEOPARD, combining DeepESN, BOA, and MPI techniques, is 78% and 67% better than the state-of-the-art shallow ESN and the original deep ESN, respectively.
Traditional network intrusion detection approaches encounter feasibility and sustainability issues to combat modern, sophisticated, and unpredictable security attacks. Deep neural networks (DNN) have been successfully applied for intrusion detection problems. The optimal use of DNN-based classifiers requires careful tuning of the hyper-parameters. Manually tuning the hyperparameters is tedious, time-consuming, and computationally expensive. Hence, there is a need for an automatic technique to find optimal hyperparameters for the best use of DNN in intrusion detection. This paper proposes a novel Bayesian optimization-based framework for the automatic optimization of hyperparameters, ensuring the best DNN architecture. We evaluated the performance of the proposed framework on NSL-KDD, a benchmark dataset for network intrusion detection. The experimental results show the framework's effectiveness as the resultant DNN architecture demonstrates significantly higher intrusion detection performance than the random search optimization-based approach in terms of accuracy, precision, recall, and f1-score.
Reinforcement learning (RL) offers the potential for training generally capable agents that can interact autonomously in the real world. However, one key limitation is the brittleness of RL algorithms to core hyperparameters and network architecture choice. Furthermore, non-stationarities such as evolving training data and increased agent complexity mean that different hyperparameters and architectures may be optimal at different points of training. This motivates AutoRL, a class of methods seeking to automate these design choices. One prominent class of AutoRL methods is Population-Based Training (PBT), which have led to impressive performance in several large scale settings. In this paper, we introduce two new innovations in PBT-style methods. First, we employ trust-region based Bayesian Optimization, enabling full coverage of the high-dimensional mixed hyperparameter search space. Second, we show that using a generational approach, we can also learn both architectures and hyperparameters jointly on-the-fly in a single training run. Leveraging the new highly parallelizable Brax physics engine, we show that these innovations lead to large performance gains, significantly outperforming the tuned baseline while learning entire configurations on the fly. Code is available at https://github.com/xingchenwan/bgpbt.
Bayesian optimization provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize hyperparameters of neural networks, and in engineering, e.g. in fluid dynamics to optimize control strategies that maximize drag reduction. This paper empirically studies and compares the performance and the robustness of common Bayesian optimization algorithms on a range of synthetic test functions to provide general guidance on the design of Bayesian optimization algorithms for specific problems. It investigates the choice of acquisition function, the effect of different numbers of training samples, the exact and Monte Carlo based calculation of acquisition functions, and both single-point and multi-point optimization. The test functions considered cover a wide selection of challenges and therefore serve as an ideal test bed to understand the performance of Bayesian optimization to specific challenges, and in general. To illustrate how these findings can be used to inform a Bayesian optimization setup tailored to a specific problem, two simulations in the area of computational fluid dynamics are optimized, giving evidence that suitable solutions can be found in a small number of evaluations of the objective function for complex, real problems. The results of our investigation can similarly be applied to other areas, such as machine learning and physical experiments, where objective functions are expensive to evaluate and their mathematical expressions are unknown.
Macro placement is the problem of placing memory blocks on a chip canvas. It can be formulated as a combinatorial optimization problem over sequence pairs, a representation which describes the relative positions of macros. Solving this problem is particularly challenging since the objective function is expensive to evaluate. In this paper, we develop a novel approach to macro placement using Bayesian optimization (BO) over sequence pairs. BO is a machine learning technique that uses a probabilistic surrogate model and an acquisition function that balances exploration and exploitation to efficiently optimize a black-box objective function. BO is more sample-efficient than reinforcement learning and therefore can be used with more realistic objectives. Additionally, the ability to learn from data and adapt the algorithm to the objective function makes BO an appealing alternative to other black-box optimization methods such as simulated annealing, which relies on problem-dependent heuristics and parameter-tuning. We benchmark our algorithm on the fixed-outline macro placement problem with the half-perimeter wire length objective and demonstrate competitive performance.
Self-Supervised Learning (SSL) has become a very active area of Deep Learning research where it is heavily used as a pre-training method for classification and other tasks. However, the rapid pace of advancements in this area comes at a price: training pipelines vary significantly across papers, which presents a potentially crucial confounding factor. Here, we show that, indeed, the choice of hyperparameters and data augmentation strategies can have a dramatic impact on performance. To shed light on these neglected factors and help maximize the power of SSL, we hyperparameterize these components and optimize them with Bayesian optimization, showing improvements across multiple datasets for the SimSiam SSL approach. Realizing the importance of data augmentations for SSL, we also introduce a new automated data augmentation algorithm, GroupAugment, which considers groups of augmentations and optimizes the sampling across groups. In contrast to algorithms designed for supervised learning, GroupAugment achieved consistently high linear evaluation accuracy across all datasets we considered. Overall, our results indicate the importance and likely underestimated role of data augmentation for SSL.
Analog/mixed-signal circuit design is one of the most complex and time-consuming stages in the whole chip design process. Due to various process, voltage, and temperature (PVT) variations from chip manufacturing, analog circuits inevitably suffer from performance degradation. Although there has been plenty of work on automating analog circuit design under the typical condition, limited research has been done on exploring robust designs under real and unpredictable silicon variations. Automatic analog design against variations requires prohibitive computation and time costs. To address the challenge, we present RobustAnalog, a robust circuit design framework that involves the variation information in the optimization process. Specifically, circuit optimizations under different variations are considered as a set of tasks. Similarities among tasks are leveraged and competitions are alleviated to realize a sample-efficient multi-task training. Moreover, RobustAnalog prunes the task space according to the current performance in each iteration, leading to a further simulation cost reduction. In this way, RobustAnalog can rapidly produce a set of circuit parameters that satisfies diverse constraints (e.g. gain, bandwidth, noise...) across variations. We compare RobustAnalog with Bayesian optimization, Evolutionary algorithm, and Deep Deterministic Policy Gradient (DDPG) and demonstrate that RobustAnalog can significantly reduce required optimization time by 14-30 times. Therefore, our study provides a feasible method to handle various real silicon conditions.
Bayesian optimization is a popular framework for the optimization of black box functions. Multifidelity methods allows to accelerate Bayesian optimization by exploiting low-fidelity representations of expensive objective functions. Popular multifidelity Bayesian strategies rely on sampling policies that account for the immediate reward obtained evaluating the objective function at a specific input, precluding greater informative gains that might be obtained looking ahead more steps. This paper proposes a non-myopic multifidelity Bayesian framework to grasp the long-term reward from future steps of the optimization. Our computational strategy comes with a two-step lookahead multifidelity acquisition function that maximizes the cumulative reward obtained measuring the improvement in the solution over two steps ahead. We demonstrate that the proposed algorithm outperforms a standard multifidelity Bayesian framework on popular benchmark optimization problems.
MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.
Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs uncertainty-aware machine learning models to select promising designs to evaluate, hence reducing the cost. However, BO with mixed numerical and categorical variables, which is of particular interest in materials design, has not been well studied. In this work, we survey frequentist and Bayesian approaches to uncertainty quantification of machine learning with mixed variables. We then conduct a systematic comparative study of their performances in BO using a popular representative model from each group, the random forest-based Lolo model (frequentist) and the latent variable Gaussian process model (Bayesian). We examine the efficacy of the two models in the optimization of mathematical functions, as well as properties of structural and functional materials, where we observe performance differences as related to problem dimensionality and complexity. By investigating the machine learning models' predictive and uncertainty estimation capabilities, we provide interpretations of the observed performance differences. Our results provide practical guidance on choosing between frequentist and Bayesian uncertainty-aware machine learning models for mixed-variable BO in materials design.
Neural Processes (NPs) are a popular class of approaches for meta-learning. Similar to Gaussian Processes (GPs), NPs define distributions over functions and can estimate uncertainty in their predictions. However, unlike GPs, NPs and their variants suffer from underfitting and often have intractable likelihoods, which limit their applications in sequential decision making. We propose Transformer Neural Processes (TNPs), a new member of the NP family that casts uncertainty-aware meta learning as a sequence modeling problem. We learn TNPs via an autoregressive likelihood-based objective and instantiate it with a novel transformer-based architecture. The model architecture respects the inductive biases inherent to the problem structure, such as invariance to the observed data points and equivariance to the unobserved points. We further investigate knobs within the TNP framework that tradeoff expressivity of the decoding distribution with extra computation. Empirically, we show that TNPs achieve state-of-the-art performance on various benchmark problems, outperforming all previous NP variants on meta regression, image completion, contextual multi-armed bandits, and Bayesian optimization.
This article focuses on the multi-objective optimization of stochastic simulators with high output variance, where the input space is finite and the objective functions are expensive to evaluate. We rely on Bayesian optimization algorithms, which use probabilistic models to make predictions about the functions to be optimized. The proposed approach is an extension of the Pareto Active Learning (PAL) algorithm for the estimation of Pareto-optimal solutions that makes it suitable for the stochastic setting. We named it Pareto Active Learning for Stochastic Simulators (PALS). The performance of PALS is assessed through numerical experiments over a set of bi-dimensional, bi-objective test problems. PALS exhibits superior performance when compared to other scalarization-based and random-search approaches.
Neural networks' lack of robustness against attacks raises concerns in security-sensitive settings such as autonomous vehicles. While many countermeasures may look promising, only a few withstand rigorous evaluation. Defenses using random transformations (RT) have shown impressive results, particularly BaRT (Raff et al., 2019) on ImageNet. However, this type of defense has not been rigorously evaluated, leaving its robustness properties poorly understood. Their stochastic properties make evaluation more challenging and render many proposed attacks on deterministic models inapplicable. First, we show that the BPDA attack (Athalye et al., 2018a) used in BaRT's evaluation is ineffective and likely overestimates its robustness. We then attempt to construct the strongest possible RT defense through the informed selection of transformations and Bayesian optimization for tuning their parameters. Furthermore, we create the strongest possible attack to evaluate our RT defense. Our new attack vastly outperforms the baseline, reducing the accuracy by 83% compared to the 19% reduction by the commonly used EoT attack ($4.3\times$ improvement). Our result indicates that the RT defense on the Imagenette dataset (a ten-class subset of ImageNet) is not robust against adversarial examples. Extending the study further, we use our new attack to adversarially train RT defense (called AdvRT), resulting in a large robustness gain. Code is available at https://github.com/wagner-group/demystify-random-transform.
Bayesian optimization (BO) has become a popular strategy for global optimization of many expensive real-world functions. Contrary to a common belief that BO is suited to optimizing black-box functions, it actually requires domain knowledge on characteristics of those functions to deploy BO successfully. Such domain knowledge often manifests in Gaussian process priors that specify initial beliefs on functions. However, even with expert knowledge, it is not an easy task to select a prior. This is especially true for hyperparameter tuning problems on complex machine learning models, where landscapes of tuning objectives are often difficult to comprehend. We seek an alternative practice for setting these functional priors. In particular, we consider the scenario where we have data from similar functions that allow us to pre-train a tighter distribution a priori. To verify our approach in realistic model training setups, we collected a large multi-task hyperparameter tuning dataset by training tens of thousands of configurations of near-state-of-the-art models on popular image and text datasets, as well as a protein sequence dataset. Our results show that on average, our method is able to locate good hyperparameters at least 3 times more efficiently than the best competing methods.
Spiking neural network (SNN) has been attached to great importance due to the properties of high biological plausibility and low energy consumption on neuromorphic hardware. As an efficient method to obtain deep SNN, the conversion method has exhibited high performance on various large-scale datasets. However, it typically suffers from severe performance degradation and high time delays. In particular, most of the previous work focuses on simple classification tasks while ignoring the precise approximation to ANN output. In this paper, we first theoretically analyze the conversion errors and derive the harmful effects of time-varying extremes on synaptic currents. We propose the Spike Calibration (SpiCalib) to eliminate the damage of discrete spikes to the output distribution and modify the LIPooling to allow conversion of the arbitrary MaxPooling layer losslessly. Moreover, Bayesian optimization for optimal normalization parameters is proposed to avoid empirical settings. The experimental results demonstrate the state-of-the-art performance on classification, object detection, and segmentation tasks. To the best of our knowledge, this is the first time to obtain SNN comparable to ANN on these tasks simultaneously. Moreover, we only need 1/50 inference time of the previous work on the detection task and can achieve the same performance under 0.492$\times$ energy consumption of ANN on the segmentation task.