Collaborative and Federated Black-box Optimization: A Bayesian Optimization Perspective

We focus on collaborative and federated black-box optimization (BBOpt), where agents optimize their heterogeneous black-box functions through collaborative sequential experimentation. From a Bayesian optimization perspective, we address the fundamental challenges of distributed experimentation, heterogeneity, and privacy within BBOpt, and propose three unifying frameworks to tackle these issues: (i) a global framework where experiments are centrally coordinated, (ii) a local framework that allows agents to make decisions based on minimal shared information, and (iii) a predictive framework that enhances local surrogates through collaboration to improve decision-making. We categorize existing methods within these frameworks and highlight key open questions to unlock the full potential of federated BBOpt. Our overarching goal is to shift federated learning from its predominantly descriptive/predictive paradigm to a prescriptive one, particularly in the context of BBOpt - an inherently sequential decision-making problem.

The Traveling Bandit: A Framework for Bayesian Optimization with Movement Costs

This paper introduces a framework for Bayesian Optimization (BO) with metric movement costs, addressing a critical challenge in practical applications where input alterations incur varying costs. Our approach is a convenient plug-in that seamlessly integrates with the existing literature on batched algorithms, where designs within batches are observed following the solution of a Traveling Salesman Problem. The proposed method provides a theoretical guarantee of convergence in terms of movement costs for BO. Empirically, our method effectively reduces average movement costs over time while maintaining comparable regret performance to conventional BO methods. This framework also shows promise for broader applications in various bandit settings with movement costs.

FCOM: A Federated Collaborative Online Monitoring Framework via Representation Learning

Online learning has demonstrated notable potential to dynamically allocate limited resources to monitor a large population of processes, effectively balancing the exploitation of processes yielding high rewards, and the exploration of uncertain processes. However, most online learning algorithms were designed under 1) a centralized setting that requires data sharing across processes to obtain an accurate prediction or 2) a homogeneity assumption that estimates a single global model from the decentralized data. To facilitate the online learning of heterogeneous processes from the decentralized data, we propose a federated collaborative online monitoring method, which captures the latent representative models inherent in the population through representation learning and designs a novel federated collaborative UCB algorithm to estimate the representative models from sequentially observed decentralized data. The efficiency of our method is illustrated through theoretical analysis, simulation studies, and decentralized cognitive degradation monitoring in Alzheimer's disease.

Real-time Adaptation for Condition Monitoring Signal Prediction using Label-aware Neural Processes

Building a predictive model that rapidly adapts to real-time condition monitoring (CM) signals is critical for engineering systems/units. Unfortunately, many current methods suffer from a trade-off between representation power and agility in online settings. For instance, parametric methods that assume an underlying functional form for CM signals facilitate efficient online prediction updates. However, this simplification leads to vulnerability to model specifications and an inability to capture complex signals. On the other hand, approaches based on over-parameterized or non-parametric models can excel at explaining complex nonlinear signals, but real-time updates for such models pose a challenging task. In this paper, we propose a neural process-based approach that addresses this trade-off. It encodes available observations within a CM signal into a representation space and then reconstructs the signal's history and evolution for prediction. Once trained, the model can encode an arbitrary number of observations without requiring retraining, enabling on-the-spot real-time predictions along with quantified uncertainty and can be readily updated as more online data is gathered. Furthermore, our model is designed to incorporate qualitative information (i.e., labels) from individual units. This integration not only enhances individualized predictions for each unit but also enables joint inference for both signals and their associated labels. Numerical studies on both synthetic and real-world data in reliability engineering highlight the advantageous features of our model in real-time adaptation, enhanced signal prediction with uncertainty quantification, and joint prediction for labels and signals.

SEE-OoD: Supervised Exploration For Enhanced Out-of-Distribution Detection

Current techniques for Out-of-Distribution (OoD) detection predominantly rely on quantifying predictive uncertainty and incorporating model regularization during the training phase, using either real or synthetic OoD samples. However, methods that utilize real OoD samples lack exploration and are prone to overfit the OoD samples at hand. Whereas synthetic samples are often generated based on features extracted from training data, rendering them less effective when the training and OoD data are highly overlapped in the feature space. In this work, we propose a Wasserstein-score-based generative adversarial training scheme to enhance OoD detection accuracy, which, for the first time, performs data augmentation and exploration simultaneously under the supervision of limited OoD samples. Specifically, the generator explores OoD spaces and generates synthetic OoD samples using feedback from the discriminator, while the discriminator exploits both the observed and synthesized samples for OoD detection using a predefined Wasserstein score. We provide theoretical guarantees that the optimal solutions of our generative scheme are statistically achievable through adversarial training in empirical settings. We then demonstrate that the proposed method outperforms state-of-the-art techniques on various computer vision datasets and exhibits superior generalizability to unseen OoD data.

Personalized Tucker Decomposition: Modeling Commonality and Peculiarity on Tensor Data

We propose personalized Tucker decomposition (perTucker) to address the limitations of traditional tensor decomposition methods in capturing heterogeneity across different datasets. perTucker decomposes tensor data into shared global components and personalized local components. We introduce a mode orthogonality assumption and develop a proximal gradient regularized block coordinate descent algorithm that is guaranteed to converge to a stationary point. By learning unique and common representations across datasets, we demonstrate perTucker's effectiveness in anomaly detection, client classification, and clustering through a simulation study and two case studies on solar flare detection and tonnage signal classification.

Collaborative and Distributed Bayesian Optimization via Consensus: Showcasing the Power of Collaboration for Optimal Design

Optimal design is a critical yet challenging task within many applications. This challenge arises from the need for extensive trial and error, often done through simulations or running field experiments. Fortunately, sequential optimal design, also referred to as Bayesian optimization when using surrogates with a Bayesian flavor, has played a key role in accelerating the design process through efficient sequential sampling strategies. However, a key opportunity exists nowadays. The increased connectivity of edge devices sets forth a new collaborative paradigm for Bayesian optimization. A paradigm whereby different clients collaboratively borrow strength from each other by effectively distributing their experimentation efforts to improve and fast-track their optimal design process. To this end, we bring the notion of consensus to Bayesian optimization, where clients agree (i.e., reach a consensus) on their next-to-sample designs. Our approach provides a generic and flexible framework that can incorporate different collaboration mechanisms. In lieu of this, we propose transitional collaborative mechanisms where clients initially rely more on each other to maneuver through the early stages with scant data, then, at the late stages, focus on their own objectives to get client-specific solutions. Theoretically, we show the sub-linear growth in regret for our proposed framework. Empirically, through simulated datasets and a real-world collaborative material discovery experiment, we show that our framework can effectively accelerate and improve the optimal design process and benefit all participants.

Personalized Dictionary Learning for Heterogeneous Datasets

We introduce a relevant yet challenging problem named Personalized Dictionary Learning (PerDL), where the goal is to learn sparse linear representations from heterogeneous datasets that share some commonality. In PerDL, we model each dataset's shared and unique features as global and local dictionaries. Challenges for PerDL not only are inherited from classical dictionary learning (DL), but also arise due to the unknown nature of the shared and unique features. In this paper, we rigorously formulate this problem and provide conditions under which the global and local dictionaries can be provably disentangled. Under these conditions, we provide a meta-algorithm called Personalized Matching and Averaging (PerMA) that can recover both global and local dictionaries from heterogeneous datasets. PerMA is highly efficient; it converges to the ground truth at a linear rate under suitable conditions. Moreover, it automatically borrows strength from strong learners to improve the prediction of weak learners. As a general framework for extracting global and local dictionaries, we show the application of PerDL in different learning tasks, such as training with imbalanced datasets and video surveillance.

Rethinking Cost-sensitive Classification in Deep Learning via Adversarial Data Augmentation

Cost-sensitive classification is critical in applications where misclassification errors widely vary in cost. However, over-parameterization poses fundamental challenges to the cost-sensitive modeling of deep neural networks (DNNs). The ability of a DNN to fully interpolate a training dataset can render a DNN, evaluated purely on the training set, ineffective in distinguishing a cost-sensitive solution from its overall accuracy maximization counterpart. This necessitates rethinking cost-sensitive classification in DNNs. To address this challenge, this paper proposes a cost-sensitive adversarial data augmentation (CSADA) framework to make over-parameterized models cost-sensitive. The overarching idea is to generate targeted adversarial examples that push the decision boundary in cost-aware directions. These targeted adversarial samples are generated by maximizing the probability of critical misclassifications and used to train a model with more conservative decisions on costly pairs. Experiments on well-known datasets and a pharmacy medication image (PMI) dataset made publicly available show that our method can effectively minimize the overall cost and reduce critical errors, while achieving comparable performance in terms of overall accuracy.

Personalized PCA: Decoupling Shared and Unique Features

In this paper, we tackle a significant challenge in PCA: heterogeneity. When data are collected from different sources with heterogeneous trends while still sharing some congruency, it is critical to extract shared knowledge while retaining unique features of each source. To this end, we propose personalized PCA (PerPCA), which uses mutually orthogonal global and local principal components to encode both unique and shared features. We show that, under mild conditions, both unique and shared features can be identified and recovered by a constrained optimization problem, even if the covariance matrices are immensely different. Also, we design a fully federated algorithm inspired by distributed Stiefel gradient descent to solve the problem. The algorithm introduces a new group of operations called generalized retractions to handle orthogonality constraints, and only requires global PCs to be shared across sources. We prove the linear convergence of the algorithm under suitable assumptions. Comprehensive numerical experiments highlight PerPCA's superior performance in feature extraction and prediction from heterogeneous datasets. As a systematic approach to decouple shared and unique features from heterogeneous datasets, PerPCA finds applications in several tasks including video segmentation, topic extraction, and distributed clustering.