arXiv subjects

Dimitris Bertsimas

Publications and source records attributed to Dimitris Bertsimas.

At least 73 records · Page 4Linked to original sources

arXiv2023

Improving Stability in Decision Tree Models

Owing to their inherently interpretable structure, decision trees are commonly used in applications where interpretability is essential. Recent work has focused on improving various aspects of decision trees, including their predictive power and robustness; however, their instability, albeit well-documented, has been addressed to a lesser extent. In this paper, we take a step towards the stabilization of decision tree models through the lens of real-world health care applications due to the relevance of stability and interpretability in this space. We introduce a new distance metric for decision trees and use it to determine a tree's level of stability. We propose a novel methodology to train stable decision trees and investigate the existence of trade-offs that are inherent to decision tree models - including between stability, predictive power, and interpretability. We demonstrate the value of the proposed methodology through an extensive quantitative and qualitative analysis of six case studies from real-world health care applications, and we show that, on average, with a small 4.6% decrease in predictive power, we gain a significant 38% improvement in the model's stability.

stat.ML↗

arXiv2023

Patient Outcome Predictions Improve Operations at a Large Hospital Network

Problem definition: Access to accurate predictions of patients' outcomes can enhance medical staff's decision-making, which ultimately benefits all stakeholders in the hospitals. A large hospital network in the US has been collaborating with academics and consultants to predict short-term and long-term outcomes for all inpatients across their seven hospitals. Methodology/results: We develop machine learning models that predict the probabilities of next 24-hr/48-hr discharge and intensive care unit transfers, end-of-stay mortality and discharge dispositions. All models achieve high out-of-sample AUC (75.7%-92.5%) and are well calibrated. In addition, combining 48-hr discharge predictions with doctors' predictions simultaneously enables more patient discharges (10%-28.7%) and fewer 7-day/30-day readmissions ($p$-value $<0.001$). We implement an automated pipeline that extracts data and updates predictions every morning, as well as user-friendly software and a color-coded alert system to communicate these patient-level predictions (alongside explanations) to clinical teams. Managerial implications: Since we have been gradually deploying the tool, and training medical staff, over 200 doctors, nurses, and case managers across seven hospitals use it in their daily patient review process. We observe a significant reduction in the average length of stay (0.67 days per patient) following its adoption and anticipate substantial financial benefits (between \$55 and \$72 million annually) for the healthcare system.

cs.LG↗

arXiv2023

Ensemble Modeling for Time Series Forecasting: an Adaptive Robust Optimization Approach

Accurate time series forecasting is critical for a wide range of problems with temporal data. Ensemble modeling is a well-established technique for leveraging multiple predictive models to increase accuracy and robustness, as the performance of a single predictor can be highly variable due to shifts in the underlying data distribution. This paper proposes a new methodology for building robust ensembles of time series forecasting models. Our approach utilizes Adaptive Robust Optimization (ARO) to construct a linear regression ensemble in which the models' weights can adapt over time. We demonstrate the effectiveness of our method through a series of synthetic experiments and real-world applications, including air pollution management, energy consumption forecasting, and tropical cyclone intensity forecasting. Our results show that our adaptive ensembles outperform the best ensemble member in hindsight by 16-26% in root mean square error and 14-28% in conditional value at risk and improve over competitive ensemble techniques.

cs.LG↗

arXiv2023

Robust Upper Bounds for Adversarial Training

Many state-of-the-art adversarial training methods for deep learning leverage upper bounds of the adversarial loss to provide security guarantees against adversarial attacks. Yet, these methods rely on convex relaxations to propagate lower and upper bounds for intermediate layers, which affect the tightness of the bound at the output layer. We introduce a new approach to adversarial training by minimizing an upper bound of the adversarial loss that is based on a holistic expansion of the network instead of separate bounds for each layer. This bound is facilitated by state-of-the-art tools from Robust Optimization; it has closed-form and can be effectively trained using backpropagation. We derive two new methods with the proposed approach. The first method (Approximated Robust Upper Bound or aRUB) uses the first order approximation of the network as well as basic tools from Linear Robust Optimization to obtain an empirical upper bound of the adversarial loss that can be easily implemented. The second method (Robust Upper Bound or RUB), computes a provable upper bound of the adversarial loss. Across a variety of tabular and vision data sets we demonstrate the effectiveness of our approach -- RUB is substantially more robust than state-of-the-art methods for larger perturbations, while aRUB matches the performance of state-of-the-art methods for small perturbations.

cs.LG↗

arXiv2023

Reducing Air Pollution through Machine Learning

This paper presents a data-driven approach to mitigate the effects of air pollution from industrial plants on nearby cities by linking operational decisions with weather conditions. Our method combines predictive and prescriptive machine learning models to forecast short-term wind speed and direction and recommend operational decisions to reduce or pause the industrial plant's production. We exhibit several trade-offs between reducing environmental impact and maintaining production activities. The predictive component of our framework employs various machine learning models, such as gradient-boosted tree-based models and ensemble methods, for time series forecasting. The prescriptive component utilizes interpretable optimal policy trees to propose multiple trade-offs, such as reducing dangerous emissions by 33-47% and unnecessary costs by 40-63%. Our deployed models significantly reduced forecasting errors, with a range of 38-52% for less than 12-hour lead time and 14-46% for 12 to 48-hour lead time compared to official weather forecasts. We have successfully implemented the predictive component at the OCP Safi site, which is Morocco's largest chemical industrial plant, and are currently in the process of deploying the prescriptive component. Our framework enables sustainable industrial development by eliminating the pollution-industrial activity trade-off through data-driven weather-based operational decisions, significantly enhancing factory optimization and sustainability. This modernizes factory planning and resource allocation while maintaining environmental compliance. The predictive component has boosted production efficiency, leading to cost savings and reduced environmental impact by minimizing air pollution.

cs.LG↗

arXiv2023

Holistic Deep Learning

This paper presents a novel holistic deep learning framework that simultaneously addresses the challenges of vulnerability to input perturbations, overparametrization, and performance instability from different train-validation splits. The proposed framework holistically improves accuracy, robustness, sparsity, and stability over standard deep learning models, as demonstrated by extensive experiments on both tabular and image data sets. The results are further validated by ablation experiments and SHAP value analysis, which reveal the interactions and trade-offs between the different evaluation metrics. To support practitioners applying our framework, we provide a prescriptive approach that offers recommendations for selecting an appropriate training loss function based on their specific objectives. All the code to reproduce the results can be found at https://github.com/kimvc7/HDL.

cs.LG↗

arXiv2023

Multistage Stochastic Optimization via Kernels

We develop a non-parametric, data-driven, tractable approach for solving multistage stochastic optimization problems in which decisions do not affect the uncertainty. The proposed framework represents the decision variables as elements of a reproducing kernel Hilbert space and performs functional stochastic gradient descent to minimize the empirical regularized loss. By incorporating sparsification techniques based on function subspace projections we are able to overcome the computational complexity that standard kernel methods introduce as the data size increases. We prove that the proposed approach is asymptotically optimal for multistage stochastic optimization with side information. Across various computational experiments on stochastic inventory management problems, {our method performs well in multidimensional settings} and remains tractable when the data size is large. Lastly, by computing lower bounds for the optimal loss of the inventory control problem, we show that the proposed method produces decision rules with near-optimal average performance.

math.OC↗

arXiv2023

Distributionally Robust Causal Inference with Observational Data

We consider the estimation of average treatment effects in observational studies and propose a new framework of robust causal inference with unobserved confounders. Our approach is based on distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of observed outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case, and we demonstrate how the proposed methodology can address a primary challenge of the marginal sensitivity model that it produces uninformative results when unobserved confounders substantially affect treatment and outcome. Specifically, we develop an alternative sensitivity model, called the distributional sensitivity model, under the assumption that heterogeneity of treatment effect due to unobserved variables is relatively small. Unlike the marginal sensitivity model, the distributional sensitivity model allows for potential lack of overlap and often produces informative bounds even when unobserved variables substantially affect both treatment and outcome. Finally, we show how to extend the distributional sensitivity model to difference-in-differences designs and settings with instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology.

stat.ME↗

arXiv2023

Global Flood Prediction: a Multimodal Machine Learning Approach

Flooding is one of the most destructive and costly natural disasters, and climate changes would further increase risks globally. This work presents a novel multimodal machine learning approach for multi-year global flood risk prediction, combining geographical information and historical natural disaster dataset. Our multimodal framework employs state-of-the-art processing techniques to extract embeddings from each data modality, including text-based geographical data and tabular-based time-series data. Experiments demonstrate that a multimodal approach, that is combining text and statistical data, outperforms a single-modality approach. Our most advanced architecture, employing embeddings extracted using transfer learning upon DistilBert model, achieves 75\%-77\% ROCAUC score in predicting the next 1-5 year flooding event in historically flooded locations. This work demonstrates the potentials of using machine learning for long-term planning in natural disaster management.

cs.LG↗

arXiv2022

Sparse PCA: a Geometric Approach

We consider the problem of maximizing the variance explained from a data matrix using orthogonal sparse principal components that have a support of fixed cardinality. While most existing methods focus on building principal components (PCs) iteratively through deflation, we propose GeoSPCA, a novel algorithm to build all PCs at once while satisfying the orthogonality constraints which brings substantial benefits over deflation. This novel approach is based on the left eigenvalues of the covariance matrix which helps circumvent the non-convexity of the problem by approximating the optimal solution using a binary linear optimization problem that can find the optimal solution. The resulting approximation can be used to tackle different versions of the sparse PCA problem including the case in which the principal components share the same support or have disjoint supports and the Structured Sparse PCA problem. We also propose optimality bounds and illustrate the benefits of GeoSPCA in selected real world problems both in terms of explained variance, sparsity and tractability. Improvements vs. the greedy algorithm, which is often at par with state-of-the-art techniques, reaches up to 24% in terms of variance while solving real world problems with 10,000s of variables and support cardinality of 100s in minutes. We also apply GeoSPCA in a face recognition problem yielding more than 10% improvement vs. other PCA based technique such as structured sparse PCA.

math.OC↗

arXiv2022

Integrated multimodal artificial intelligence framework for healthcare applications

Artificial intelligence (AI) systems hold great promise to improve healthcare over the next decades. Specifically, AI systems leveraging multiple data sources and input modalities are poised to become a viable method to deliver more accurate results and deployable pipelines across a wide range of applications. In this work, we propose and evaluate a unified Holistic AI in Medicine (HAIM) framework to facilitate the generation and testing of AI systems that leverage multimodal inputs. Our approach uses generalizable data pre-processing and machine learning modeling stages that can be readily adapted for research and deployment in healthcare environments. We evaluate our HAIM framework by training and characterizing 14,324 independent models based on HAIM-MIMIC-MM, a multimodal clinical database (N=34,537 samples) containing 7,279 unique hospitalizations and 6,485 patients, spanning all possible input combinations of 4 data modalities (i.e., tabular, time-series, text, and images), 11 unique data sources and 12 predictive tasks. We show that this framework can consistently and robustly produce models that outperform similar single-source approaches across various healthcare demonstrations (by 6-33%), including 10 distinct chest pathology diagnoses, along with length-of-stay and 48-hour mortality predictions. We also quantify the contribution of each modality and data source using Shapley values, which demonstrates the heterogeneity in data modality importance and the necessity of multimodal inputs across different healthcare-relevant tasks. The generalizable properties and flexibility of our Holistic AI in Medicine (HAIM) framework could offer a promising pathway for future multimodal predictive systems in clinical and operational healthcare settings.

cs.LG↗

arXiv2022

Hurricane Forecasting: A Novel Multimodal Machine Learning Framework

This paper describes a novel machine learning (ML) framework for tropical cyclone intensity and track forecasting, combining multiple ML techniques and utilizing diverse data sources. Our multimodal framework, called Hurricast, efficiently combines spatial-temporal data with statistical data by extracting features with deep-learning encoder-decoder architectures and predicting with gradient-boosted trees. We evaluate our models in the North Atlantic and Eastern Pacific basins on 2016-2019 for 24-hour lead time track and intensity forecasts and show they achieve comparable mean absolute error and skill to current operational forecast models while computing in seconds. Furthermore, the inclusion of Hurricast into an operational forecast consensus model could improve over the National Hurricane Center's official forecast, thus highlighting the complementary properties with existing approaches. In summary, our work demonstrates that utilizing machine learning techniques to combine different data sources can lead to new opportunities in tropical cyclone forecasting.

cs.LG↗

arXiv2022

Learning Sparse Nonlinear Dynamics via Mixed-Integer Optimization

Discovering governing equations of complex dynamical systems directly from data is a central problem in scientific machine learning. In recent years, the sparse identification of nonlinear dynamics (SINDy) framework, powered by heuristic sparse regression methods, has become a dominant tool for learning parsimonious models. We propose an exact formulation of the SINDy problem using mixed-integer optimization (MIO) to solve the sparsity constrained regression problem to provable optimality in seconds. On a large number of canonical ordinary and partial differential equations, we illustrate the dramatic improvement of our approach in accurate model discovery while being more sample efficient, robust to noise, and flexible in accommodating physical constraints.

cs.LG↗

arXiv2022

Pareto Adaptive Robust Optimality via a Fourier-Motzkin Elimination Lens

We formalize the concept of Pareto Adaptive Robust Optimality (PARO) for linear Adaptive Robust Optimization (ARO) problems. A worst-case optimal solution pair of here-and-now decisions and wait-and-see decisions is PARO if it cannot be Pareto dominated by another solution, i.e., there does not exist another such pair that performs at least as good in all scenarios in the uncertainty set and strictly better in at least one scenario. We argue that, unlike PARO, extant solution approaches -- including those that adopt Pareto Robust Optimality from static robust optimization -- could fail in ARO and yield solutions that can be Pareto dominated. The latter could lead to inefficiencies and suboptimal performance in practice. We prove the existence of PARO solutions, and present particular approaches for finding and approximating such solutions. We present numerical results for a facility location problem that demonstrate the practical value of PARO solutions. Our analysis of PARO relies on an application of Fourier-Motzkin Elimination as a proof technique. We demonstrate how this technique can be valuable in the analysis of ARO problems, besides PARO. In particular, we employ it to devise more concise and more insightful proofs of known results on (worst-case) optimality of decision rule structures.

math.OC↗

arXiv2022

A new perspective on low-rank optimization

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.

math.OC↗

arXiv2022

Global Optimization via Optimal Decision Trees

The global optimization literature places large emphasis on reducing intractable optimization problems into more tractable structured optimization forms. In order to achieve this goal, many existing methods are restricted to optimization over explicit constraints and objectives that use a subset of possible mathematical primitives. These are limiting in real-world contexts where more general explicit and black box constraints appear. Leveraging the dramatic speed improvements in mixed-integer optimization (MIO) and recent research in machine learning, we propose a new method to learn MIO-compatible approximations of global optimization problems using optimal decision trees with hyperplanes (OCT-Hs). This constraint learning approach only requires a bounded variable domain, and can address both explicit and inexplicit constraints. We solve the MIO approximation efficiently to find a near-optimal, near-feasible solution to the global optimization problem. We further improve the solution using a series of projected gradient descent iterations. We test the method on a number of numerical benchmarks from the literature as well as real-world design problems, demonstrating its promise in finding global optima efficiently.

math.OC↗

arXiv2021

Computation of Convex Hull Prices in Electricity Markets with Non-Convexities using Dantzig-Wolfe Decomposition

The presence of non-convexities in electricity markets has been an active research area for about two decades. The -- inevitable under current marginal cost pricing -- problem of guaranteeing that no market participant incurs losses in the day-ahead market is addressed in current practice through make-whole payments a.k.a. uplift. Alternative pricing rules have been studied to deal with this problem. Among them, Convex Hull (CH) prices associated with minimum uplift have attracted significant attention. Several US Independent System Operators (ISOs) have considered CH prices but resorted to approximations, mainly because determining exact CH prices is computationally challenging, while providing little intuition about the price formation rationale. In this paper, we describe the CH price estimation problem by relying on Dantzig-Wolfe decomposition and Column Generation, as a tractable, highly paralellizable, and exact method -- i.e., yielding exact, not approximate, CH prices -- with guaranteed finite convergence. Moreover, the approach provides intuition on the underlying price formation rationale. A test bed of stylized examples provide an exposition of the intuition in the CH price formation. In addition, a realistic ISO dataset is used to support scalability and validate the proof-of-concept.

math.OC↗

arXiv2021

The Backbone Method for Ultra-High Dimensional Sparse Machine Learning

We present the backbone method, a generic framework that enables sparse and interpretable supervised machine learning methods to scale to ultra-high dimensional problems. We solve sparse regression problems with $10^7$ features in minutes and $10^8$ features in hours, as well as decision tree problems with $10^5$ features in minutes.The proposed method operates in two phases: we first determine the backbone set, consisting of potentially relevant features, by solving a number of tractable subproblems; then, we solve a reduced problem, considering only the backbone features. For the sparse regression problem, our theoretical analysis shows that, under certain assumptions and with high probability, the backbone set consists of the truly relevant features. Numerical experiments on both synthetic and real-world datasets demonstrate that our method outperforms or competes with state-of-the-art methods in ultra-high dimensional problems, and competes with optimal solutions in problems where exact methods scale, both in terms of recovering the truly relevant features and in its out-of-sample predictive performance.

cs.LG↗