Bayesian optimization is a principled optimization strategy for a black-box objective function. It shows its effectiveness in a wide variety of real-world applications such as scientific discovery and experimental design. In general, the performance of Bayesian optimization is assessed by regret-based metrics such as instantaneous, simple, and cumulative regrets. These metrics only rely on function evaluations, so that they do not consider geometric relationships between query points and global solutions, or query points themselves. Notably, they cannot discriminate if multiple global solutions are successfully found. Moreover, they do not evaluate Bayesian optimization's abilities to exploit and explore a search space given. To tackle these issues, we propose four new geometric metrics, i.e., precision, recall, average degree, and average distance. These metrics allow us to compare Bayesian optimization algorithms considering the geometry of both query points and global optima, or query points. However, they are accompanied by an extra parameter, which needs to be carefully determined. We therefore devise the parameter-free forms of the respective metrics by integrating out the additional parameter. Finally, we empirically validate that our proposed metrics can provide more convincing interpretation and understanding of Bayesian optimization algorithms from distinct perspectives, compared to the conventional metrics.

We exploit analogies between first-order algorithms for constrained optimization and non-smooth dynamical systems to design a new class of accelerated first-order algorithms for constrained optimization. Unlike Frank-Wolfe or projected gradients, these algorithms avoid optimization over the entire feasible set at each iteration. We prove convergence to stationary points even in a nonconvex setting and we derive accelerated rates for the convex setting both in continuous time, as well as in discrete time. An important property of these algorithms is that constraints are expressed in terms of velocities instead of positions, which naturally leads to sparse, local and convex approximations of the feasible set (even if the feasible set is nonconvex). Thus, the complexity tends to grow mildly in the number of decision variables and in the number of constraints, which makes the algorithms suitable for machine learning applications. We apply our algorithms to a compressed sensing and a sparse regression problem, showing that we can treat nonconvex $\ell^p$ constraints ($p<1$) efficiently, while recovering state-of-the-art performance for $p=1$.

The growing ubiquity of machine learning (ML) has led it to enter various areas of computer science, including black-box optimization (BBO). Recent research is particularly concerned with Bayesian optimization (BO). BO-based algorithms are popular in the ML community, as they are used for hyperparameter optimization and more generally for algorithm configuration. However, their efficiency decreases as the dimensionality of the problem and the budget of evaluations increase. Meanwhile, derivative-free optimization methods have evolved independently in the optimization community. Therefore, we urge to understand whether cross-fertilization is possible between the two communities, ML and BBO, i.e., whether algorithms that are heavily used in ML also work well in BBO and vice versa. Comparative experiments often involve rather small benchmarks and show visible problems in the experimental setup, such as poor initialization of baselines, overfitting due to problem-specific setting of hyperparameters, and low statistical significance. With this paper, we update and extend a comparative study presented by Hutter et al. in 2013. We compare BBO tools for ML with more classical heuristics, first on the well-known BBOB benchmark suite from the COCO environment and then on Direct Policy Search for OpenAI Gym, a reinforcement learning benchmark. Our results confirm that BO-based optimizers perform well on both benchmarks when budgets are limited, albeit with a higher computational cost, while they are often outperformed by algorithms from other families when the evaluation budget becomes larger. We also show that some algorithms from the BBO community perform surprisingly well on ML tasks.

Robustly cooperating with unseen agents and human partners presents significant challenges due to the diverse cooperative conventions these partners may adopt. Existing Ad Hoc Teamwork (AHT) methods address this challenge by training an agent with a population of diverse teammate policies obtained through maximizing specific diversity metrics. However, prior heuristic-based diversity metrics do not always maximize the agent's robustness in all cooperative problems. In this work, we first propose that maximizing an AHT agent's robustness requires it to emulate policies in the minimum coverage set (MCS), the set of best-response policies to any partner policies in the environment. We then introduce the L-BRDiv algorithm that generates a set of teammate policies that, when used for AHT training, encourage agents to emulate policies from the MCS. L-BRDiv works by solving a constrained optimization problem to jointly train teammate policies for AHT training and approximating AHT agent policies that are members of the MCS. We empirically demonstrate that L-BRDiv produces more robust AHT agents than state-of-the-art methods in a broader range of two-player cooperative problems without the need for extensive hyperparameter tuning for its objectives. Our study shows that L-BRDiv outperforms the baseline methods by prioritizing discovering distinct members of the MCS instead of repeatedly finding redundant policies.

We present a fast algorithm for the design of smooth paths (or trajectories) that are constrained to lie in a collection of axis-aligned boxes. We consider the case where the number of these safe boxes is large, and basic preprocessing of them (such as finding their intersections) can be done offline. At runtime we quickly generate a smooth path between given initial and terminal positions. Our algorithm designs trajectories that are guaranteed to be safe at all times, and detects infeasibility whenever such a trajectory does not exist. Our algorithm is based on two subproblems that we can solve very efficiently: finding a shortest path in a weighted graph, and solving (multiple) convex optimal-control problems. We demonstrate the proposed path planner on large-scale numerical examples, and we provide an efficient open-source software implementation, fastpathplanning.

Given the success of model-free methods for control design in many problem settings, it is natural to ask how things will change if realistic communication channels are utilized for the transmission of gradients or policies. While the resulting problem has analogies with the formulations studied under the rubric of networked control systems, the rich literature in that area has typically assumed that the model of the system is known. As a step towards bridging the fields of model-free control design and networked control systems, we ask: \textit{Is it possible to solve basic control problems - such as the linear quadratic regulator (LQR) problem - in a model-free manner over a rate-limited channel?} Toward answering this question, we study a setting where a worker agent transmits quantized policy gradients (of the LQR cost) to a server over a noiseless channel with a finite bit-rate. We propose a new algorithm titled Adaptively Quantized Gradient Descent (\texttt{AQGD}), and prove that above a certain finite threshold bit-rate, \texttt{AQGD} guarantees exponentially fast convergence to the globally optimal policy, with \textit{no deterioration of the exponent relative to the unquantized setting}. More generally, our approach reveals the benefits of adaptive quantization in preserving fast linear convergence rates, and, as such, may be of independent interest to the literature on compressed optimization.

Most of the approaches proposed so far to craft targeted adversarial examples against Deep Learning classifiers are highly suboptimal and typically rely on increasing the likelihood of the target class, thus implicitly focusing on one-hot encoding settings. In this paper, we propose a more general, theoretically sound, targeted attack that resorts to the minimization of a Jacobian-induced MAhalanobis distance (JMA) term, taking into account the effort (in the input space) required to move the latent space representation of the input sample in a given direction. The minimization is solved by exploiting the Wolfe duality theorem, reducing the problem to the solution of a Non-Negative Least Square (NNLS) problem. The proposed algorithm provides an optimal solution to a linearized version of the adversarial example problem originally introduced by Szegedy et al. \cite{szegedy2013intriguing}. The experiments we carried out confirm the generality of the proposed attack which is proven to be effective under a wide variety of output encoding schemes. Noticeably, the JMA attack is also effective in a multi-label classification scenario, being capable to induce a targeted modification of up to half the labels in a complex multilabel classification scenario with 20 labels, a capability that is out of reach of all the attacks proposed so far. As a further advantage, the JMA attack usually requires very few iterations, thus resulting more efficient than existing methods.

In many recent works, the potential of Exploratory Landscape Analysis (ELA) features to numerically characterize, in particular, single-objective continuous optimization problems has been demonstrated. These numerical features provide the input for all kinds of machine learning tasks on continuous optimization problems, ranging, i.a., from High-level Property Prediction to Automated Algorithm Selection and Automated Algorithm Configuration. Without ELA features, analyzing and understanding the characteristics of single-objective continuous optimization problems would be impossible. Yet, despite their undisputed usefulness, ELA features suffer from several drawbacks. These include, in particular, (1.) a strong correlation between multiple features, as well as (2.) its very limited applicability to multi-objective continuous optimization problems. As a remedy, recent works proposed deep learning-based approaches as alternatives to ELA. In these works, e.g., point-cloud transformers were used to characterize an optimization problem's fitness landscape. However, these approaches require a large amount of labeled training data. Within this work, we propose a hybrid approach, Deep-ELA, which combines (the benefits of) deep learning and ELA features. Specifically, we pre-trained four transformers on millions of randomly generated optimization problems to learn deep representations of the landscapes of continuous single- and multi-objective optimization problems. Our proposed framework can either be used out-of-the-box for analyzing single- and multi-objective continuous optimization problems, or subsequently fine-tuned to various tasks focussing on algorithm behavior and problem understanding.

We consider an online two-stage stochastic optimization with long-term constraints over a finite horizon of $T$ periods. At each period, we take the first-stage action, observe a model parameter realization and then take the second-stage action from a feasible set that depends both on the first-stage decision and the model parameter. We aim to minimize the cumulative objective value while guaranteeing that the long-term average second-stage decision belongs to a set. We develop online algorithms for the online two-stage problem from adversarial learning algorithms. Also, the regret bound of our algorithm can be reduced to the regret bound of embedded adversarial learning algorithms. Based on this framework, we obtain new results under various settings. When the model parameters are drawn from unknown non-stationary distributions and we are given machine-learned predictions of the distributions, we develop a new algorithm from our framework with a regret $O(W_T+\sqrt{T})$, where $W_T$ measures the total inaccuracy of the machine-learned predictions. We then develop another algorithm that works when no machine-learned predictions are given and show the performances.

The goal of Continual Learning (CL) is to continuously learn from new data streams and accomplish the corresponding tasks. Previously studied CL assumes that data are given in sequence nose-to-tail for different tasks, thus indeed belonging to Serial Continual Learning (SCL). This paper studies the novel paradigm of Parallel Continual Learning (PCL) in dynamic multi-task scenarios, where a diverse set of tasks is encountered at different time points. PCL presents challenges due to the training of an unspecified number of tasks with varying learning progress, leading to the difficulty of guaranteeing effective model updates for all encountered tasks. In our previous conference work, we focused on measuring and reducing the discrepancy among gradients in a multi-objective optimization problem, which, however, may still contain negative transfers in every model update. To address this issue, in the dynamic multi-objective optimization problem, we introduce task-specific elastic factors to adjust the descent direction towards the Pareto front. The proposed method, called Elastic Multi-Gradient Descent (EMGD), ensures that each update follows an appropriate Pareto descent direction, minimizing any negative impact on previously learned tasks. To balance the training between old and new tasks, we also propose a memory editing mechanism guided by the gradient computed using EMGD. This editing process updates the stored data points, reducing interference in the Pareto descent direction from previous tasks. Experiments on public datasets validate the effectiveness of our EMGD in the PCL setting.