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Inspired by the impact of the Goemans-Williamson algorithm on combinatorial optimization, we construct an analogous relax-then-sample strategy for low-rank optimization problems. First, for orthogonally constrained quadratic optimization problems, we derive a semidefinite relaxation and a randomized rounding scheme, which obtains provably near-optimal solutions, mimicking the blueprint from Goemans and Williamson for the Max-Cut problem. We then extend our approach to generic low-rank optimization problems by developing new semidefinite relaxations that are both tighter and more broadly applicable than those in prior works. Although our original proposal introduces large semidefinite matrices as decision variables, we show that most of the blocks in these matrices can be safely omitted without altering the optimal value, hence improving the scalability of our approach. Using several examples (including matrix completion, basis pursuit, and reduced-rank regression), we show how to reduce the size of our relaxation even further. Finally, we numerically illustrate the effectiveness and scalability of our relaxation and our sampling scheme on orthogonally constrained quadratic optimization and matrix completion problems., Comment: 30 pages, 5 figures, plus references and appendices

The discovery of scientific formulae that parsimoniously explain natural phenomena and align with existing background theory is a key goal in science. Historically, scientists have derived natural laws by manipulating equations based on existing knowledge, forming new equations, and verifying them experimentally. In recent years, data-driven scientific discovery has emerged as a viable competitor in settings with large amounts of experimental data. Unfortunately, data-driven methods often fail to discover valid laws when data is noisy or scarce. Accordingly, recent works combine regression and reasoning to eliminate formulae inconsistent with background theory. However, the problem of searching over the space of formulae consistent with background theory to find one that best fits the data is not well-solved. We propose a solution to this problem when all axioms and scientific laws are expressible via polynomial equalities and inequalities and argue that our approach is widely applicable. We model notions of minimal complexity using binary variables and logical constraints, solve polynomial optimization problems via mixed-integer linear or semidefinite optimization, and prove the validity of our scientific discoveries in a principled manner using Positivstellensatz certificates. The optimization techniques leveraged in this paper allow our approach to run in polynomial time with fully correct background theory under an assumption that the complexity of our derivation is bounded), or non-deterministic polynomial (NP) time with partially correct background theory. We demonstrate that some famous scientific laws, including Kepler's Third Law of Planetary Motion, the Hagen-Poiseuille Equation, and the Radiated Gravitational Wave Power equation, can be derived in a principled manner from axioms and experimental data., Comment: Revised version, including a significant number of new experiments+supplementary material in appendix, and a title change

Given a high-dimensional covariate matrix and a response vector, ridge-regularized sparse linear regression selects a subset of features that explains the relationship between covariates and the response in an interpretable manner. To select the sparsity and robustness of linear regressors, techniques like k-fold cross-validation are commonly used for hyperparameter tuning. However, cross-validation substantially increases the computational cost of sparse regression as it requires solving many mixed-integer optimization problems (MIOs). Additionally, validation metrics often serve as noisy estimators of test set errors, with different hyperparameter combinations leading to models with different noise levels. Therefore, optimizing over these metrics is vulnerable to out-of-sample disappointment, especially in underdetermined settings. To improve upon this state of affairs, we make two key contributions. First, motivated by the generalization theory literature, we propose selecting hyperparameters that minimize a weighted sum of a cross-validation metric and a model's output stability, thus reducing the risk of poor out-of-sample performance. Second, we leverage ideas from the mixed-integer optimization literature to obtain computationally tractable relaxations of k-fold cross-validation metrics and the output stability of regressors, facilitating hyperparameter selection after solving fewer MIOs. These relaxations result in an efficient cyclic coordinate descent scheme, achieving lower validation errors than via traditional methods such as grid search. On synthetic datasets, our confidence adjustment procedure improves out-of-sample performance by 2%-5% compared to minimizing the k-fold error alone. On 13 real-world datasets, our confidence adjustment procedure reduces test set error by 2%, on average., Comment: Updated paper, including generalization to k-fold cross-validation and a new title

Low-rank matrix completion consists of computing a matrix of minimal complexity that recovers a given set of observations as accurately as possible. Unfortunately, existing methods for matrix completion are heuristics that, while highly scalable and often identifying high-quality solutions, do not possess any optimality guarantees. We reexamine matrix completion with an optimality-oriented eye. We reformulate these low-rank problems as convex problems over the non-convex set of projection matrices and implement a disjunctive branch-and-bound scheme that solves them to certifiable optimality. Further, we derive a novel and often tight class of convex relaxations by decomposing a low-rank matrix as a sum of rank-one matrices and incentivizing that two-by-two minors in each rank-one matrix have determinant zero. In numerical experiments, our new convex relaxations decrease the optimality gap by two orders of magnitude compared to existing attempts, and our disjunctive branch-and-bound scheme solves nxn rank-r matrix completion problems to certifiable optimality in hours for n<=150 and r<=5., Comment: Updated version with new numerics showcasing relaxation for rank k>1

Network design problems involve constructing edges in a transportation or supply chain network to minimize construction and daily operational costs. We study a stochastic version where operational costs are uncertain due to fluctuating demand and estimated as a sample average from historical data. This problem is computationally challenging, and instances with as few as 100 nodes often cannot be solved to optimality using current decomposition techniques. We propose a stochastic variant of Benders decomposition that mitigates the high computational cost of generating each cut by sampling a subset of the data at each iteration and nonetheless generates deterministically valid cuts, rather than the probabilistically valid cuts frequently proposed in the stochastic optimization literature, via a dual averaging technique. We implement both single-cut and multi-cut variants of this Benders decomposition, as well as a variant that uses clustering of the historical scenarios. To our knowledge, this is the first single-tree implementation of Benders decomposition that facilitates sampling. On instances with 100-200 nodes and relatively complete recourse, our algorithm achieves 5-7% optimality gaps, compared with 16-27% for deterministic Benders schemes, and scales to instances with 700 nodes and 50 commodities within hours. Beyond network design, our strategy could be adapted to generic two-stage stochastic mixed-integer optimization problems where second-stage costs are estimated via a sample average.

Sparse Principal Component Analysis (sPCA) is a cardinal technique for obtaining combinations of features, or principal components (PCs), that explain the variance of high-dimensional datasets in an interpretable manner. This involves solving a sparsity and orthogonality constrained convex maximization problem, which is extremely computationally challenging. Most existing works address sparse PCA via methods-such as iteratively computing one sparse PC and deflating the covariance matrix-that do not guarantee the orthogonality, let alone the optimality, of the resulting solution when we seek multiple mutually orthogonal PCs. We challenge this status by reformulating the orthogonality conditions as rank constraints and optimizing over the sparsity and rank constraints simultaneously. We design tight semidefinite relaxations to supply high-quality upper bounds, which we strengthen via additional second-order cone inequalities when each PC's individual sparsity is specified. Further, we derive a combinatorial upper bound on the maximum amount of variance explained as a function of the support. We exploit these relaxations and bounds to propose exact methods and rounding mechanisms that, together, obtain solutions with a bound gap on the order of 0%-15% for real-world datasets with p = 100s or 1000s of features and r \in {2, 3} components. Numerically, our algorithms match (and sometimes surpass) the best performing methods in terms of fraction of variance explained and systematically return PCs that are sparse and orthogonal. In contrast, we find that existing methods like deflation return solutions that violate the orthogonality constraints, even when the data is generated according to sparse orthogonal PCs. Altogether, our approach solves sparse PCA problems with multiple components to certifiable (near) optimality in a practically tractable fashion., Comment: Updated version with improved algorithmics and a new section containing a generalization of the Gershgorin circle theorem; comments or suggestions welcome

We present our collaboration with the OCP Group, one of the world's largest producers of phosphate and phosphate-based products, to reduce OCP's carbon emissions significantly. We study the problem of decarbonizing OCP's electricity supply by installing a mixture of solar panels and batteries to minimize its time-discounted investment cost plus the cost of satisfying its remaining demand via the national grid. OCP is currently designing its renewable investment strategy, using insights gleaned from our optimization model, and has pledged to invest 130 billion MAD (approx. 13 billion USD) in a green initiative by 2027, a subset of which involves decarbonization. We immunize our model against deviations between forecast and realized solar generation output via a combination of robust and distributionally robust optimization. To account for variability in daily solar generation, we propose a data-driven robust optimization approach that prevents excessive conservatism by averaging across uncertainty sets. To protect against variability in seasonal weather patterns induced by climate change, we invoke distributionally robust optimization techniques. Under a 10 billion MAD investment by OCP, the proposed methodology reduces the carbon emissions which arise from OCP's energy needs by more than 70% while generating a net present value (NPV) of 5 billion MAD over twenty years. Moreover, a 20 billion MAD investment induces a 95% reduction in carbon emissions and generates an NPV of around 2 billion MAD. To fulfill the Paris climate agreement, rapidly decarbonizing the global economy in a financially sustainable fashion is imperative. Accordingly, this work develops a robust optimization methodology that enables OCP to decarbonize at a profit by purchasing solar panels and batteries. Moreover, the methodology could be applied to decarbonize other industrial consumers., Comment: Submitted to MSOM on 08/2022

We study the Sparse Plus Low-Rank decomposition problem (SLR), which is the problem of decomposing a corrupted data matrix into a sparse matrix of perturbations plus a low-rank matrix containing the ground truth. SLR is a fundamental problem in Operations Research and Machine Learning which arises in various applications, including data compression, latent semantic indexing, collaborative filtering, and medical imaging. We introduce a novel formulation for SLR that directly models its underlying discreteness. For this formulation, we develop an alternating minimization heuristic that computes high-quality solutions and a novel semidefinite relaxation that provides meaningful bounds for the solutions returned by our heuristic. We also develop a custom branch-and-bound algorithm that leverages our heuristic and convex relaxations to solve small instances of SLR to certifiable (near) optimality. Given an input $n$-by-$n$ matrix, our heuristic scales to solve instances where $n=10000$ in minutes, our relaxation scales to instances where $n=200$ in hours, and our branch-and-bound algorithm scales to instances where $n=25$ in minutes. Our numerical results demonstrate that our approach outperforms existing state-of-the-art approaches in terms of rank, sparsity, and mean-square error while maintaining a comparable runtime.

A key question in many low-rank problems throughout optimization, machine learning, and statistics is to characterize the convex hulls of simple low-rank sets and judiciously apply these convex hulls to obtain strong yet computationally tractable convex relaxations. We invoke the matrix perspective function - the matrix analog of the perspective function - and characterize explicitly the convex hull of epigraphs of simple matrix convex functions under low-rank constraints. Further, we combine the matrix perspective function with orthogonal projection matrices-the matrix analog of binary variables which capture the row-space of a matrix-to develop a matrix perspective reformulation technique that reliably obtains strong relaxations for a variety of low-rank problems, including reduced rank regression, non-negative matrix factorization, and factor analysis. Moreover, we establish that these relaxations can be modeled via semidefinite constraints and thus optimized over tractably. The proposed approach parallels and generalizes the perspective reformulation technique in mixed-integer optimization and leads to new relaxations for a broad class of problems., Comment: Major revision submitted to Mathematical Programming

We propose a framework for modeling and solving low-rank optimization problems to certifiable optimality. We introduce symmetric projection matrices that satisfy $Y^2=Y$, the matrix analog of binary variables that satisfy $z^2=z$, to model rank constraints. By leveraging regularization and strong duality, we prove that this modeling paradigm yields tractable convex optimization problems over the non-convex set of orthogonal projection matrices. Furthermore, we design outer-approximation algorithms to solve low-rank problems to certifiable optimality, compute lower bounds via their semidefinite relaxations, and provide near-optimal solutions through rounding and local search techniques. We implement these numerical ingredients and, for the first time, solve low-rank optimization problems to certifiable optimality. Using currently available spatial branch-and-bound codes, not tailored to projection matrices, we can scale our exact (resp. near-exact) algorithms to matrices with up to 30 (resp. 600) rows/columns. Our algorithms also supply certifiably near-optimal solutions for larger problem sizes and outperform existing heuristics, by deriving an alternative to the popular nuclear norm relaxation which generalizes the perspective relaxation from vectors to matrices. All in all, our framework, which we name Mixed-Projection Conic Optimization, solves low-rank problems to certifiable optimality in a tractable and unified fashion., Comment: major revision submitted to Operations Research

The COVID-19 pandemic has created unprecedented challenges worldwide. Strained healthcare providers make difficult decisions on patient triage, treatment and care management on a daily basis. Policy makers have imposed social distancing measures to slow the disease, at a steep economic price. We design analytical tools to support these decisions and combat the pandemic. Specifically, we propose a comprehensive data-driven approach to understand the clinical characteristics of COVID-19, predict its mortality, forecast its evolution, and ultimately alleviate its impact. By leveraging cohort-level clinical data, patient-level hospital data, and census-level epidemiological data, we develop an integrated four-step approach, combining descriptive, predictive and prescriptive analytics. First, we aggregate hundreds of clinical studies into the most comprehensive database on COVID-19 to paint a new macroscopic picture of the disease. Second, we build personalized calculators to predict the risk of infection and mortality as a function of demographics, symptoms, comorbidities, and lab values. Third, we develop a novel epidemiological model to project the pandemic's spread and inform social distancing policies. Fourth, we propose an optimization model to re-allocate ventilators and alleviate shortages. Our results have been used at the clinical level by several hospitals to triage patients, guide care management, plan ICU capacity, and re-distribute ventilators. At the policy level, they are currently supporting safe back-to-work policies at a major institution and equitable vaccine distribution planning at a major pharmaceutical company, and have been integrated into the US Center for Disease Control's pandemic forecast., Comment: Submitted to PNAS

Sparse principal component analysis (PCA) is a popular dimensionality reduction technique for obtaining principal components which are linear combinations of a small subset of the original features. Existing approaches cannot supply certifiably optimal principal components with more than $p=100s$ of variables. By reformulating sparse PCA as a convex mixed-integer semidefinite optimization problem, we design a cutting-plane method which solves the problem to certifiable optimality at the scale of selecting k=5 covariates from p=300 variables, and provides small bound gaps at a larger scale. We also propose a convex relaxation and greedy rounding scheme that provides bound gaps of $1-2\%$ in practice within minutes for $p=100$s or hours for $p=1,000$s and is therefore a viable alternative to the exact method at scale. Using real-world financial and medical datasets, we illustrate our approach's ability to derive interpretable principal components tractably at scale., Comment: Revision submitted to JMLR

We study a cutting-plane method for semidefinite optimization problems (SDOs), and supply a proof of the method's convergence, under a boundedness assumption. By relating the method's rate of convergence to an initial outer approximation's diameter, we argue that the method performs well when initialized with a second-order-cone approximation, instead of a linear approximation. We invoke the method to provide bound gaps of 0.5-6.5% for sparse PCA problems with $1000$s of covariates, and solve nuclear norm problems over 500x500 matrices., Comment: Submitted minor revision to Operations Research Letters; removed footnotes and corrected some minor typos in previous version

The recent proliferation of publicly available graph-structured data has sparked an interest in machine learning algorithms for graph data. Since most traditional machine learning algorithms assume data to be tabular, embedding algorithms for mapping graph data to real-valued vector spaces has become an active area of research. Existing graph embedding approaches are based purely on structural information and ignore any semantic information from the underlying domain. In this paper, we demonstrate that semantic information can play a useful role in computing graph embeddings. Specifically, we present a framework for devising embedding strategies aware of domain-specific interpretations of graph nodes and edges, and use knowledge of downstream machine learning tasks to identify relevant graph substructures. Using two real-life domains, we show that our framework yields embeddings that are simple to implement and yet achieve equal or greater accuracy in machine learning tasks compared to domain independent approaches.

We propose a unified framework to address a family of classical mixed-integer optimization problems with logically constrained decision variables, including network design, facility location, unit commitment, sparse portfolio selection, binary quadratic optimization, sparse principal analysis and sparse learning problems. These problems exhibit logical relationships between continuous and discrete variables, which are usually reformulated linearly using a big-M formulation. In this work, we challenge this longstanding modeling practice and express the logical constraints in a non-linear way. By imposing a regularization condition, we reformulate these problems as convex binary optimization problems, which are solvable using an outer-approximation procedure. In numerical experiments, we establish that a general-purpose numerical strategy, which combines cutting-plane, first-order and local search methods, solves these problems faster and at a larger scale than state-of-the-art mixed-integer linear or second-order cone methods. Our approach successfully solves network design problems with 100s of nodes and provides solutions up to 40\% better than the state-of-the-art; sparse portfolio selection problems with up to 3,200 securities compared with 400 securities for previous attempts; and sparse regression problems with up to 100,000 covariates., Comment: Revised version (including title change). The old title was "A unified approach to mixed-integer optimization: Nonlinear formulations and scalable algorithms"

Advanced persistent threats (APT) are stealthy, sophisticated, and unpredictable cyberattacks that can steal intellectual property, damage critical infrastructure, or cause millions of dollars in damage. Detecting APTs by monitoring system-level activity is difficult because manually inspecting the high volume of normal system activity is overwhelming for security analysts. We evaluate the effectiveness of unsupervised batch and streaming anomaly detection algorithms over multiple gigabytes of provenance traces recorded on four different operating systems to determine whether they can detect realistic APT-like attacks reliably and efficiently. This report is the first detailed study of the effectiveness of generic unsupervised anomaly detection techniques in this setting.

The sparse portfolio selection problem is one of the most famous and frequently-studied problems in the optimization and financial economics literatures. In a universe of risky assets, the goal is to construct a portfolio with maximal expected return and minimum variance, subject to an upper bound on the number of positions, linear inequalities and minimum investment constraints. Existing certifiably optimal approaches to this problem do not converge within a practical amount of time at real world problem sizes with more than 400 securities. In this paper, we propose a more scalable approach. By imposing a ridge regularization term, we reformulate the problem as a convex binary optimization problem, which is solvable via an efficient outer-approximation procedure. We propose various techniques for improving the performance of the procedure, including a heuristic which supplies high-quality warm-starts, a preprocessing technique for decreasing the gap at the root node, and an analytic technique for strengthening our cuts. We also study the problem's Boolean relaxation, establish that it is second-order-cone representable, and supply a sufficient condition for its tightness. In numerical experiments, we establish that the outer-approximation procedure gives rise to dramatic speedups for sparse portfolio selection problems., Comment: Minor revision submitted to INFORMS Journal on Computing

This paper studies risk in a stochastic auction which facilitates the integration of renewable generation in electricity markets. We model market participants who are risk averse and reflect their risk aversion through coherent risk measures. We uncover a closed form characterization of a risk-averse generator's optimal pre-commitment behaviour for a given real-time policy, both with and without risk trading., Comment: Short form version of article, updated for submission to Operations Research Letters