We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of \~O$(\sqrt{T})$ where $T$ is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than popular Bayesian optimization approaches, even if the model is misspecified.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose $\textbf{SurCo}$ that learns linear $\underline{\text{Sur}}$rogate costs which can be used in existing $\underline{\text{Co}}$mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three $\texttt{SurCo}$ variants: $\texttt{SurCo}-\texttt{zero}$ for individual nonlinear problems, $\texttt{SurCo}-\texttt{prior}$ for problem distributions, and $\texttt{SurCo}-\texttt{hybrid}$ to combine both distribution and problem-specific information. We give theoretical intuition motivating $\texttt{SurCo}$, and evaluate it empirically. Experiments show that $\texttt{SurCo}$ finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem. This process is often inefficient in computation and memory usage. In this work, we propose a new optimization framework for semi-supervised learning on graphs. The proposed framework can be conveniently solved by the alternating optimization algorithms, resulting in significantly improved efficiency. Extensive experiments demonstrate that the proposed method can achieve comparable or better performance with state-of-the-art baselines while it has significantly better computation and memory efficiency.

Proximity sensing detects an object's presence without contact. However, research has rarely explored proximity sensing in granular materials (GM) due to GM's lack of visual and complex properties. In this paper, we propose a granular-material-embedded autonomous proximity sensing system (GRAINS) based on three granular phenomena (fluidization, jamming, and failure wedge zone). GRAINS can automatically sense buried objects beneath GM in real-time manner (at least ~20 hertz) and perceive them 0.5 ~ 7 centimeters ahead in different granules without the use of vision or touch. We introduce a new spiral trajectory for the probe raking in GM, combining linear and circular motions, inspired by a common granular fluidization technique. Based on the observation of force-raising when granular jamming occurs in the failure wedge zone in front of the probe during its raking, we employ Gaussian process regression to constantly learn and predict the force patterns and detect the force anomaly resulting from granular jamming to identify the proximity sensing of buried objects. Finally, we apply GRAINS to a Bayesian-optimization-algorithm-guided exploration strategy to successfully localize underground objects and outline their distribution using proximity sensing without contact or digging. This work offers a simple yet reliable method with potential for safe operation in building habitation infrastructure on an alien planet without human intervention.

Accurate yet efficient Deep Neural Networks (DNNs) are in high demand, especially for applications that require their execution on constrained edge devices. Finding such DNNs in a reasonable time for new applications requires automated optimization pipelines since the huge space of hyper-parameter combinations is impossible to explore extensively by hand. In this work, we propose PLiNIO, an open-source library implementing a comprehensive set of state-of-the-art DNN design automation techniques, all based on lightweight gradient-based optimization, under a unified and user-friendly interface. With experiments on several edge-relevant tasks, we show that combining the various optimizations available in PLiNIO leads to rich sets of solutions that Pareto-dominate the considered baselines in terms of accuracy vs model size. Noteworthy, PLiNIO achieves up to 94.34% memory reduction for a <1% accuracy drop compared to a baseline architecture.

Decision trees are among the most popular machine learning models and are used routinely in applications ranging from revenue management and medicine to bioinformatics. In this paper, we consider the problem of learning optimal binary classification trees with univariate splits. Literature on the topic has burgeoned in recent years, motivated both by the empirical suboptimality of heuristic approaches and the tremendous improvements in mixed-integer optimization (MIO) technology. Yet, existing MIO-based approaches from the literature do not leverage the power of MIO to its full extent: they rely on weak formulations, resulting in slow convergence and large optimality gaps. To fill this gap in the literature, we propose an intuitive flow-based MIO formulation for learning optimal binary classification trees. Our formulation can accommodate side constraints to enable the design of interpretable and fair decision trees. Moreover, we show that our formulation has a stronger linear optimization relaxation than existing methods in the case of binary data. We exploit the decomposable structure of our formulation and max-flow/min-cut duality to derive a Benders' decomposition method to speed-up computation. We propose a tailored procedure for solving each decomposed subproblem that provably generates facets of the feasible set of the MIO as constraints to add to the main problem. We conduct extensive computational experiments on standard benchmark datasets on which we show that our proposed approaches are 29 times faster than state-of-the-art MIO-based techniques and improve out-of-sample performance by up to 8%.

Vehicle trajectory planning is a key component for an autonomous driving system. A practical system not only requires the component to compute a feasible trajectory, but also a comfortable one given certain comfort metrics. Nevertheless, computation efficiency is critical for the system to be deployed as a commercial product. In this paper, we present a novel trajectory planning algorithm based on nonlinear optimization. The algorithm computes a kinematically feasible and comfort-optimal trajectory that achieves collision avoidance with static obstacles. Furthermore, the algorithm is time efficient. It generates an 6-second trajectory within 10 milliseconds on an Intel i7 machine or 20 milliseconds on an Nvidia Drive Orin platform.

Plug-and-play (PnP) denoising is a popular iterative framework for solving imaging inverse problems using off-the-shelf image denoisers. Their empirical success has motivated a line of research that seeks to understand the convergence of PnP iterates under various assumptions on the denoiser. While a significant amount of research has gone into establishing the convergence of the PnP iteration for different regularity conditions on the denoisers, not much is known about the asymptotic properties of the converged solution as the noise level in the measurement tends to zero, i.e., whether PnP methods are provably convergent regularization schemes under reasonable assumptions on the denoiser. This paper serves two purposes: first, we provide an overview of the classical regularization theory in inverse problems and survey a few notable recent data-driven methods that are provably convergent regularization schemes. We then continue to discuss PnP algorithms and their established convergence guarantees. Subsequently, we consider PnP algorithms with linear denoisers and propose a novel spectral filtering technique to control the strength of regularization arising from the denoiser. Further, by relating the implicit regularization of the denoiser to an explicit regularization functional, we rigorously show that PnP with linear denoisers leads to a convergent regularization scheme. More specifically, we prove that in the limit as the noise vanishes, the PnP reconstruction converges to the minimizer of a regularization potential subject to the solution satisfying the noiseless operator equation. The theoretical analysis is corroborated by numerical experiments for the classical inverse problem of tomographic image reconstruction.

We consider the problem of learning a sparse graph underlying an undirected Gaussian graphical model, a key problem in statistical machine learning. Given $n$ samples from a multivariate Gaussian distribution with $p$ variables, the goal is to estimate the $p \times p$ inverse covariance matrix (aka precision matrix), assuming it is sparse (i.e., has a few nonzero entries). We propose GraphL0BnB, a new estimator based on an $\ell_0$-penalized version of the pseudolikelihood function, while most earlier approaches are based on the $\ell_1$-relaxation. Our estimator can be formulated as a convex mixed integer program (MIP) which can be difficult to compute at scale using off-the-shelf commercial solvers. To solve the MIP, we propose a custom nonlinear branch-and-bound (BnB) framework that solves node relaxations with tailored first-order methods. As a by-product of our BnB framework, we propose large-scale solvers for obtaining good primal solutions that are of independent interest. We derive novel statistical guarantees (estimation and variable selection) for our estimator and discuss how our approach improves upon existing estimators. Our numerical experiments on real/synthetic datasets suggest that our method can solve, to near-optimality, problem instances with $p = 10^4$ -- corresponding to a symmetric matrix of size $p \times p$ with $p^2/2$ binary variables. We demonstrate the usefulness of GraphL0BnB versus various state-of-the-art approaches on a range of datasets.

As an efficient distributed machine learning approach, Federated learning (FL) can obtain a shared model by iterative local model training at the user side and global model aggregating at the central server side, thereby protecting privacy of users. Mobile users in FL systems typically communicate with base stations (BSs) via wireless channels, where training performance could be degraded due to unreliable access caused by user mobility. However, existing work only investigates a static scenario or random initialization of user locations, which fail to capture mobility in real-world networks. To tackle this issue, we propose a practical model for user mobility in FL across multiple BSs, and develop a user scheduling and resource allocation method to minimize the training delay with constrained communication resources. Specifically, we first formulate an optimization problem with user mobility that jointly considers user selection, BS assignment to users, and bandwidth allocation to minimize the latency in each communication round. This optimization problem turned out to be NP-hard and we proposed a delay-aware greedy search algorithm (DAGSA) to solve it. Simulation results show that the proposed algorithm achieves better performance than the state-of-the-art baselines and a certain level of user mobility could improve training performance.