The field of Contextual Optimization (CO) integrates machine learning and optimization to solve decision making problems under uncertainty. Recently, a risk sensitive variant of CO, known as Conditional Robust Optimization (CRO), combines uncertainty quantification with robust optimization in order to promote safety and reliability in high stake applications. Exploiting modern differentiable optimization methods, we propose a novel end-to-end approach to train a CRO model in a way that accounts for both the empirical risk of the prescribed decisions and the quality of conditional coverage of the contextual uncertainty set that supports them. While guarantees of success for the latter objective are impossible to obtain from the point of view of conformal prediction theory, high quality conditional coverage is achieved empirically by ingeniously employing a logistic regression differentiable layer within the calculation of coverage quality in our training loss. We show that the proposed training algorithms produce decisions that outperform the traditional estimate then optimize approaches.

Over-the-Air Computation is a beyond-5G communication strategy that has recently been shown to be useful for the decentralized training of machine learning models due to its efficiency. In this paper, we propose an Over-the-Air federated learning algorithm that aims to provide fairness and robustness through minmax optimization. By using the epigraph form of the problem at hand, we show that the proposed algorithm converges to the optimal solution of the minmax problem. Moreover, the proposed approach does not require reconstructing channel coefficients by complex encoding-decoding schemes as opposed to state-of-the-art approaches. This improves both efficiency and privacy.

In this paper, we deal with semi-supervised Minimum Sum-of-Squares Clustering (MSSC) problems where background knowledge is given in the form of instance-level constraints. In particular, we take into account "must-link" and "cannot-link" constraints, each of which indicates if two dataset points should be associated to the same or to a different cluster. The presence of such constraints makes the problem at least as hard as its unsupervised version: it is no more true that each point is associated to its nearest cluster center, thus requiring some modifications in crucial operations, such as the assignment step. In this scenario, we propose a novel memetic strategy based on the Differential Evolution paradigm, directly extending a state-of-the-art framework recently proposed in the unsupervised clustering literature. As far as we know, our contribution represents the first attempt to define a memetic methodology designed to generate a (hopefully) optimal feasible solution for the semi-supervised MSSC problem. The proposal is compared with some state-of-the-art algorithms from the literature on a set of well-known datasets, highlighting its effectiveness and efficiency in finding good quality clustering solutions.

Gradient-free optimizers allow for tackling problems regardless of the smoothness or differentiability of their objective function, but they require many more iterations to converge when compared to gradient-based algorithms. This has made them unviable for topology optimization due to the high computational cost per iteration and high dimensionality of these problems. We propose a pre-trained neural reparameterization strategy that leads to at least one order of magnitude decrease in iteration count when optimizing the designs in latent space, as opposed to the conventional approach without latent reparameterization. We demonstrate this via extensive computational experiments in- and out-of-distribution with the training data. Although gradient-based topology optimization is still more efficient for differentiable problems, such as compliance optimization of structures, we believe this work will open up a new path for problems where gradient information is not readily available (e.g. fracture).

We introduce a cooperative Bayesian optimization problem for optimizing black-box functions of two variables where two agents choose together at which points to query the function but have only control over one variable each. This setting is inspired by human-AI teamwork, where an AI-assistant helps its human user solve a problem, in this simplest case, collaborative optimization. We formulate the solution as sequential decision-making, where the agent we control models the user as a computationally rational agent with prior knowledge about the function. We show that strategic planning of the queries enables better identification of the global maximum of the function as long as the user avoids excessive exploration. This planning is made possible by using Bayes Adaptive Monte Carlo planning and by endowing the agent with a user model that accounts for conservative belief updates and exploratory sampling of the points to query.

A smart city solution toward future 6G network deployment allows small and medium sized enterprises (SMEs), industry, and government entities to connect with the infrastructures and play a crucial role in enhancing emergency preparedness with advanced sensors. The objective of this work is to propose a set of coordinated technological solutions to transform an existing emergency response system into an intelligent interactive system, thereby improving the public services and the quality of life for residents at home, on road, in hospitals, transport hubs, etc. In this context, we consider a city wide view from three different application scenes that are closely related to peoples daily life, to optimize the actions taken at relevant departments. Therefore, using artificial intelligence (AI) and machine learning (ML) techniques to enable the next generation connected vehicle experiences, we specifically focus on accidents happening in indoor households, urban roads, and at large public facilities. This smart interactive response system will benefit from advanced sensor fusion and AI by formulating a real time dynamic model.

Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the lower-level energy in such a way that the entire bilevel pipeline can be trained end-to-end. Although not generally presented as such, this paper demonstrates how a variety of graph learning techniques can be recast as special cases of bilevel optimization or simplifications thereof. In brief, building on prior work we first derive a more flexible class of energy functions that, when paired with various descent steps (e.g., gradient descent, proximal methods, momentum, etc.), form graph neural network (GNN) message-passing layers; critically, we also carefully unpack where any residual approximation error lies with respect to the underlying constituent message-passing functions. We then probe several simplifications of this framework to derive close connections with non-GNN-based graph learning approaches, including knowledge graph embeddings, various forms of label propagation, and efficient graph-regularized MLP models. And finally, we present supporting empirical results that demonstrate the versatility of the proposed bilevel lens, which we refer to as BloomGML, referencing that BiLevel Optimization Offers More Graph Machine Learning. Our code is available at https://github.com/amberyzheng/BloomGML. Let graph ML bloom.

Variational Quantum Algorithms (VQAs) are often viewed as the best hope for near-term quantum advantage. However, recent studies have shown that noise can severely limit the trainability of VQAs, e.g., by exponentially flattening the cost landscape and suppressing the magnitudes of cost gradients. Error Mitigation (EM) shows promise in reducing the impact of noise on near-term devices. Thus, it is natural to ask whether EM can improve the trainability of VQAs. In this work, we first show that, for a broad class of EM strategies, exponential cost concentration cannot be resolved without committing exponential resources elsewhere. This class of strategies includes as special cases Zero Noise Extrapolation, Virtual Distillation, Probabilistic Error Cancellation, and Clifford Data Regression. Second, we perform analytical and numerical analysis of these EM protocols, and we find that some of them (e.g., Virtual Distillation) can make it harder to resolve cost function values compared to running no EM at all. As a positive result, we do find numerical evidence that Clifford Data Regression (CDR) can aid the training process in certain settings where cost concentration is not too severe. Our results show that care should be taken in applying EM protocols as they can either worsen or not improve trainability. On the other hand, our positive results for CDR highlight the possibility of engineering error mitigation methods to improve trainability.

A significant hurdle in the noisy intermediate-scale quantum (NISQ) era is identifying functional quantum circuits. These circuits must also adhere to the constraints imposed by current quantum hardware limitations. Variational quantum algorithms (VQAs), a class of quantum-classical optimization algorithms, were developed to address these challenges in the currently available quantum devices. However, the overall performance of VQAs depends on the initialization strategy of the variational circuit, the structure of the circuit (also known as ansatz), and the configuration of the cost function. Focusing on the structure of the circuit, in this thesis, we improve the performance of VQAs by automating the search for an optimal structure for the variational circuits using reinforcement learning (RL). Within the thesis, the optimality of a circuit is determined by evaluating its depth, the overall count of gates and parameters, and its accuracy in solving the given problem. The task of automating the search for optimal quantum circuits is known as quantum architecture search (QAS). The majority of research in QAS is primarily focused on a noiseless scenario. Yet, the impact of noise on the QAS remains inadequately explored. In this thesis, we tackle the issue by introducing a tensor-based quantum circuit encoding, restrictions on environment dynamics to explore the search space of possible circuits efficiently, an episode halting scheme to steer the agent to find shorter circuits, a double deep Q-network (DDQN) with an $\epsilon$-greedy policy for better stability. The numerical experiments on noiseless and noisy quantum hardware show that in dealing with various VQAs, our RL-based QAS outperforms existing QAS. Meanwhile, the methods we propose in the thesis can be readily adapted to address a wide range of other VQAs.

A popular approach to the MAP inference problem in graphical models is to minimize an upper bound obtained from a dual linear programming or Lagrangian relaxation by (block-)coordinate descent. Examples of such algorithms are max-sum diffusion and sequential tree-reweighted message passing. Convergence properties of these methods are currently not fully understood. They have been proved to converge to the set characterized by local consistency of active constraints, with unknown convergence rate; however, it was not clear if the iterates converge at all (to any single point). We prove a stronger result (which was conjectured before but never proved): the iterates converge to a fixed point of the algorithm. Moreover, we show that they achieve precision $\varepsilon>0$ in $\mathcal{O}(1/\varepsilon)$ iterations. We first prove this for a version of coordinate descent applied to a general piecewise-affine convex objective, using a novel proof technique. Then we demonstrate the generality of this approach by reducing some popular coordinate-descent algorithms to this problem. Finally we show that, in contrast to our main result, a similar version of coordinate descent applied to a constrained optimization problem need not converge.