Decision trees are powerful tools for classification and regression that attract many researchers working in the burgeoning area of machine learning. One advantage of decision trees over other methods is their interpretability, which is often preferred over other higher accuracy methods that are relatively uninterpretable. A binary classification tree has two types of vertices: (i) branching vertices which have exactly two children and where datapoints are assessed on a set of discrete features; and (ii) leaf vertices at which datapoints are given a discrete prediction. An optimal binary classification tree can be obtained by solving a biobjective optimization problem that seeks to (i) maximize the number of correctly classified datapoints and (ii) minimize the number of branching vertices. In this paper, we propose four mixed integer linear optimization (MILO) formulations for designing optimal binary classification trees: two flow-based formulations and two-cut based formulations. We provide theoretical comparisons between our proposed formulations and the strongest flow-based MILO formulation of Aghaei et al. (2021). We conduct experiments on 13 publicly available datasets to show the models' ability to scale and the strength of a biobjective approach using Pareto frontiers. Our code and data are available on GitHub.

Today's online advertisers procure digital ad impressions through interacting with autobidding platforms: advertisers convey high level procurement goals via setting levers such as budget, target return-on-investment, max cost per click, etc.. Then ads platforms subsequently procure impressions on advertisers' behalf, and report final procurement conversions (e.g. click) to advertisers. In practice, advertisers may receive minimal information on platforms' procurement details, and procurement outcomes are subject to non-stationary factors like seasonal patterns, occasional system corruptions, and market trends which make it difficult for advertisers to optimize lever decisions effectively. Motivated by this, we present an online learning framework that helps advertisers dynamically optimize ad platform lever decisions while subject to general long-term constraints in a realistic bandit feedback environment with non-stationary procurement outcomes. In particular, we introduce a primal-dual algorithm for online decision making with multi-dimension decision variables, bandit feedback and long-term uncertain constraints. We show that our algorithm achieves low regret in many worlds when procurement outcomes are generated through procedures that are stochastic, adversarial, adversarially corrupted, periodic, and ergodic, respectively, without having to know which procedure is the ground truth. Finally, we emphasize that our proposed algorithm and theoretical results extend beyond the applications of online advertising.

Adversarial examples (AE) with good transferability enable practical black-box attacks on diverse target models, where insider knowledge about the target models is not required. Previous methods often generate AE with no or very limited transferability; that is, they easily overfit to the particular architecture and feature representation of the source, white-box model and the generated AE barely work for target, black-box models. In this paper, we propose a novel approach to enhance AE transferability using Gradient Norm Penalty (GNP). It drives the loss function optimization procedure to converge to a flat region of local optima in the loss landscape. By attacking 11 state-of-the-art (SOTA) deep learning models and 6 advanced defense methods, we empirically show that GNP is very effective in generating AE with high transferability. We also demonstrate that it is very flexible in that it can be easily integrated with other gradient based methods for stronger transfer-based attacks.

Bi-level optimization, especially the gradient-based category, has been widely used in the deep learning community including hyperparameter optimization and meta-knowledge extraction. Bi-level optimization embeds one problem within another and the gradient-based category solves the outer-level task by computing the hypergradient, which is much more efficient than classical methods such as the evolutionary algorithm. In this survey, we first give a formal definition of the gradient-based bi-level optimization. Next, we delineate criteria to determine if a research problem is apt for bi-level optimization and provide a practical guide on structuring such problems into a bi-level optimization framework, a feature particularly beneficial for those new to this domain. More specifically, there are two formulations: the single-task formulation to optimize hyperparameters such as regularization parameters and the distilled data, and the multi-task formulation to extract meta-knowledge such as the model initialization. With a bi-level formulation, we then discuss four bi-level optimization solvers to update the outer variable including explicit gradient update, proxy update, implicit function update, and closed-form update. Finally, we wrap up the survey by highlighting two prospective future directions: (1) Effecctive Data Optimization for Science examined through the lens of task formulation.

Generalization bounds are a critical tool to assess the training data requirements of Quantum Machine Learning (QML). Recent work has established guarantees for in-distribution generalization of quantum neural networks (QNNs), where training and testing data are drawn from the same data distribution. However, there are currently no results on out-of-distribution generalization in QML, where we require a trained model to perform well even on data drawn from a different distribution to the training distribution. Here, we prove out-of-distribution generalization for the task of learning an unknown unitary. In particular, we show that one can learn the action of a unitary on entangled states having trained only product states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics on near term quantum hardware, and further opens up new methods for both the classical and quantum compilation of quantum circuits.

Automated machine learning (AutoML) seeks to build ML models with minimal human effort. While considerable research has been conducted in the area of AutoML in general, aiming to take humans out of the loop when building artificial intelligence (AI) applications, scant literature has focused on how AutoML works well in open-environment scenarios such as the process of training and updating large models, industrial supply chains or the industrial metaverse, where people often face open-loop problems during the search process: they must continuously collect data, update data and models, satisfy the requirements of the development and deployment environment, support massive devices, modify evaluation metrics, etc. Addressing the open-environment issue with pure data-driven approaches requires considerable data, computing resources, and effort from dedicated data engineers, making current AutoML systems and platforms inefficient and computationally intractable. Human-computer interaction is a practical and feasible way to tackle the problem of open-environment AI. In this paper, we introduce OmniForce, a human-centered AutoML (HAML) system that yields both human-assisted ML and ML-assisted human techniques, to put an AutoML system into practice and build adaptive AI in open-environment scenarios. Specifically, we present OmniForce in terms of ML version management; pipeline-driven development and deployment collaborations; a flexible search strategy framework; and widely provisioned and crowdsourced application algorithms, including large models. Furthermore, the (large) models constructed by OmniForce can be automatically turned into remote services in a few minutes; this process is dubbed model as a service (MaaS). Experimental results obtained in multiple search spaces and real-world use cases demonstrate the efficacy and efficiency of OmniForce.

We present a non-convex optimization algorithm metaheuristic, based on the training of a deep generative network, which enables effective searching within continuous, ultra-high dimensional landscapes. During network training, populations of sampled local gradients are utilized within a customized loss function to evolve the network output distribution function towards one peak at high-performing optima. The deep network architecture is tailored to support progressive growth over the course of training, which allows the algorithm to manage the curse of dimensionality characteristic of high-dimensional landscapes. We apply our concept to a range of standard optimization problems with dimensions as high as one thousand and show that our method performs better with fewer function evaluations compared to state-of-the-art algorithm benchmarks. We also discuss the role of deep network over-parameterization, loss function engineering, and proper network architecture selection in optimization, and why the required batch size of sampled local gradients is independent of problem dimension. These concepts form the foundation for a new class of algorithms that utilize customizable and expressive deep generative networks to solve non-convex optimization problems.

The load planning problem is a critical challenge in service network design for parcel carriers: it decides how many trailers (or loads) to assign for dispatch over time between pairs of terminals. Another key challenge is to determine a flow plan, which specifies how parcel volumes are assigned to planned loads. This paper considers the Dynamic Load Planning Problem (DLPP) that considers both flow and load planning challenges jointly to adjust loads and flows as the demand forecast changes over time before the day of operations. The paper aims at developing a decision-support tool to inform planners making these decisions at terminals across the network. The paper formulates the DLPP as a MIP and shows that it admits a large number of symmetries in a network where each commodity can be routed through primary and alternate paths. As a result, an optimization solver may return fundamentally different solutions to closely related problems, confusing planners and reducing trust in optimization. To remedy this limitation, the paper proposes a Goal-Directed Optimization that eliminates those symmetries by generating optimal solutions staying close to a reference plan. The paper also proposes an optimization proxy to address the computational challenges of the optimization models. The proxy combines a machine learning model and a feasibility restoration model and finds solutions that satisfy real-time constraints imposed by planners-in-the-loop. An extensive computational study on industrial instances shows that the optimization proxy is around 10 times faster than the commercial solver in obtaining the same quality solutions and orders of magnitude faster for generating solutions that are consistent with each other. The proposed approach also demonstrates the benefits of the DLPP for load consolidation, and the significant savings obtained from combining machine learning and optimization.

A major challenge in reinforcement learning is to develop practical, sample-efficient algorithms for exploration in high-dimensional domains where generalization and function approximation is required. Low-Rank Markov Decision Processes -- where transition probabilities admit a low-rank factorization based on an unknown feature embedding -- offer a simple, yet expressive framework for RL with function approximation, but existing algorithms are either (1) computationally intractable, or (2) reliant upon restrictive statistical assumptions such as latent variable structure, access to model-based function approximation, or reachability. In this work, we propose the first provably sample-efficient algorithm for exploration in Low-Rank MDPs that is both computationally efficient and model-free, allowing for general function approximation and requiring no additional structural assumptions. Our algorithm, VoX, uses the notion of a generalized optimal design for the feature embedding as an efficiently computable basis for exploration, performing efficient optimal design computation by interleaving representation learning and policy optimization. Our analysis -- which is appealingly simple and modular -- carefully combines several techniques, including a new reduction from optimal design computation to policy optimization based on the Frank-Wolfe method, and an improved analysis of a certain minimax representation learning objective found in prior work.

We seek to extract a small number of representative scenarios from large and high-dimensional panel data that are consistent with sample moments. Among two novel algorithms, the first identifies scenarios that have not been observed before, and comes with a scenario-based representation of covariance matrices. The second proposal picks important data points from states of the world that have already realized, and are consistent with higher-order sample moment information. Both algorithms are efficient to compute, and lend themselves to consistent scenario-based modeling and high-dimensional numerical integration. Extensive numerical benchmarking studies and an application in portfolio optimization favor the proposed algorithms.