James Kotary

Jayanta Mandi, James Kotary, Senne Berden et al.

Decision-focused learning (DFL) is an emerging paradigm that integrates machine learning (ML) and constrained optimization to enhance decision quality by training ML models in an end-to-end system. This approach shows significant potential to revolutionize combinatorial decision-making in real-world applications that operate under uncertainty, where estimating unknown parameters within decision models is a major challenge. This paper presents a comprehensive review of DFL, providing an in-depth analysis of both gradient-based and gradient-free techniques used to combine ML and constrained optimization. It evaluates the strengths and limitations of these techniques and includes an extensive empirical evaluation of eleven methods across seven problems. The survey also offers insights into recent advancements and future research directions in DFL. Code and benchmark: https://github.com/PredOpt/predopt-benchmarks

James Kotary, Vincenzo Di Vito, Jacob Cristopher et al.

The Predict-Then-Optimize framework uses machine learning models to predict unknown parameters of an optimization problem from exogenous features before solving. This setting is common to many real-world decision processes, and recently it has been shown that decision quality can be substantially improved by solving and differentiating the optimization problem within an end-to-end training loop. However, this approach requires significant computational effort in addition to handcrafted, problem-specific rules for backpropagation through the optimization step, challenging its applicability to a broad class of optimization problems. This paper proposes an alternative method, in which optimal solutions are learned directly from the observable features by joint predictive models. The approach is generic, and based on an adaptation of the Learning-to-Optimize paradigm, from which a rich variety of existing techniques can be employed. Experimental evaluations show the ability of several Learning-to-Optimize methods to provide efficient and accurate solutions to an array of challenging Predict-Then-Optimize problems.

James Kotary, My H. Dinh, Ferdinando Fioretto

The integration of constrained optimization models as components in deep networks has led to promising advances on many specialized learning tasks. A central challenge in this setting is backpropagation through the solution of an optimization problem, which typically lacks a closed form. One typical strategy is algorithm unrolling, which relies on automatic differentiation through the operations of an iterative solver. While flexible and general, unrolling can encounter accuracy and efficiency issues in practice. These issues can be avoided by analytical differentiation of the optimization, but current frameworks impose rigid requirements on the optimization problem's form. This paper provides theoretical insights into the backward pass of unrolled optimization, leading to a system for generating efficiently solvable analytical models of backpropagation. Additionally, it proposes a unifying view of unrolling and analytical differentiation through optimization mappings. Experiments over various model-based learning tasks demonstrate the advantages of the approach both computationally and in terms of enhanced expressiveness.

James Kotary, Vincenzo Di Vito, Jacob Christopher et al.

Many real-world decision processes are modeled by optimization problems whose defining parameters are unknown and must be inferred from observable data. The Predict-Then-Optimize framework uses machine learning models to predict unknown parameters of an optimization problem from features before solving. Recent works show that decision quality can be improved in this setting by solving and differentiating the optimization problem in the training loop, enabling end-to-end training with loss functions defined directly on the resulting decisions. However, this approach can be inefficient and requires handcrafted, problem-specific rules for backpropagation through the optimization step. This paper proposes an alternative method, in which optimal solutions are learned directly from the observable features by predictive models. The approach is generic, and based on an adaptation of the Learning-to-Optimize paradigm, from which a rich variety of existing techniques can be employed. Experimental evaluations show the ability of several Learning-to-Optimize methods to provide efficient, accurate, and flexible solutions to an array of challenging Predict-Then-Optimize problems.

James Kotary, Vincenzo Di Vito, Ferdinando Fioretto

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and proposes a novel framework for differentiable model selection integrating machine learning and combinatorial optimization. The framework is tailored for ensemble learning, a strategy that combines the outputs of individually pre-trained models, and learns to select appropriate ensemble members for a particular input sample by transforming the ensemble learning task into a differentiable selection program trained end-to-end within the ensemble learning model. Tested on various tasks, the proposed framework demonstrates its versatility and effectiveness, outperforming conventional and advanced consensus rules across a variety of settings and learning tasks.

James Kotary, Ferdinando Fioretto

Learning to Optimize (LtO) is a problem setting in which a machine learning (ML) model is trained to emulate a constrained optimization solver. Learning to produce optimal and feasible solutions subject to complex constraints is a difficult task, but is often made possible by restricting the input space to a limited distribution of related problems. Most LtO methods focus on directly learning solutions to the primal problem, and applying correction schemes or loss function penalties to encourage feasibility. This paper proposes an alternative approach, in which the ML model is trained instead to predict dual solution estimates directly, from which primal estimates are constructed to form dual-feasible solution pairs. This enables an end-to-end training scheme is which the dual objective is maximized as a loss function, and solution estimates iterate toward primal feasibility, emulating a Dual Ascent method. First it is shown that the poor convergence properties of classical Dual Ascent are reflected in poor convergence of the proposed training scheme. Then, by incorporating techniques from practical Augmented Lagrangian methods, we show how the training scheme can be improved to learn highly accurate constrained optimization solvers, for both convex and nonconvex problems.

Ethan King, James Kotary, Ferdinando Fioretto et al.

Recent work has shown a variety of ways in which machine learning can be used to accelerate the solution of constrained optimization problems. Increasing demand for real-time decision-making capabilities in applications such as artificial intelligence and optimal control has led to a variety of approaches, based on distinct strategies. This work proposes a novel approach to learning optimization, in which the underlying metric space of a proximal operator splitting algorithm is learned so as to maximize its convergence rate. While prior works in optimization theory have derived optimal metrics for limited classes of problems, the results do not extend to many practical problem forms including general Quadratic Programming (QP). This paper shows how differentiable optimization can enable the end-to-end learning of proximal metrics, enhancing the convergence of proximal algorithms for QP problems beyond what is possible based on known theory. Additionally, the results illustrate a strong connection between the learned proximal metrics and active constraints at the optima, leading to an interpretation in which the learning of proximal metrics can be viewed as a form of active set learning.

My H Dinh, James Kotary, Ferdinando Fioretto

Many decision processes in artificial intelligence and operations research are modeled by parametric optimization problems whose defining parameters are unknown and must be inferred from observable data. The Predict-Then-Optimize (PtO) paradigm in machine learning aims to maximize downstream decision quality by training the parametric inference model end-to-end with the subsequent constrained optimization. This requires backpropagation through the optimization problem using approximation techniques specific to the problem's form, especially for nondifferentiable linear and mixed-integer programs. This paper extends the PtO methodology to optimization problems with nondifferentiable Ordered Weighted Averaging (OWA) objectives, known for their ability to ensure properties of fairness and robustness in decision models. Through a collection of training techniques and proposed application settings, it shows how optimization of OWA functions can be effectively integrated with parametric prediction for fair and robust optimization under uncertainty.

My H. Dinh, James Kotary, Ferdinando Fioretto

Learning to Rank (LTR) is one of the most widely used machine learning applications. It is a key component in platforms with profound societal impacts, including job search, healthcare information retrieval, and social media content feeds. Conventional LTR models have been shown to produce biases results, stimulating a discourse on how to address the disparities introduced by ranking systems that solely prioritize user relevance. However, while several models of fair learning to rank have been proposed, they suffer from deficiencies either in accuracy or efficiency, thus limiting their applicability to real-world ranking platforms. This paper shows how efficiently-solvable fair ranking models, based on the optimization of Ordered Weighted Average (OWA) functions, can be integrated into the training loop of an LTR model to achieve favorable balances between fairness, user utility, and runtime efficiency. In particular, this paper is the first to show how to backpropagate through constrained optimizations of OWA objectives, enabling their use in integrated prediction and decision models.

James Kotary, Himanshu Sharma, Ethan King et al.

Learning to Optimize (L2O) is a subfield of machine learning (ML) in which ML models are trained to solve parametric optimization problems. The general goal is to learn a fast approximator of solutions to constrained optimization problems, as a function of their defining parameters. Prior L2O methods focus almost entirely on single-level programs, in contrast to the bilevel programs, whose constraints are themselves expressed in terms of optimization subproblems. Bilevel programs have numerous important use cases but are notoriously difficult to solve, particularly under stringent time demands. This paper proposes a framework for learning to solve a broad class of challenging bilevel optimization problems, by leveraging modern techniques for differentiation through optimization problems. The framework is illustrated on an array of synthetic bilevel programs, as well as challenging control system co-design problems, showing how neural networks can be trained as efficient approximators of parametric bilevel optimization.

My H Dinh, James Kotary, Lauryn P. Gouldin et al.

Criminal courts across the United States handle millions of cases every year, and the scheduling of those cases must accommodate a diverse set of constraints, including the preferences and availability of courts, prosecutors, and defense teams. When criminal court schedules are formed, defendants' scheduling preferences often take the least priority, although defendants may face significant consequences (including arrest or detention) for missed court dates. Additionally, studies indicate that defendants' nonappearances impose costs on the courts and other system stakeholders. To address these issues, courts and commentators have begun to recognize that pretrial outcomes for defendants and for the system would be improved with greater attention to court processes, including \emph{court scheduling practices}. There is thus a need for fair criminal court pretrial scheduling systems that account for defendants' preferences and availability, but the collection of such data poses logistical challenges. Furthermore, optimizing schedules fairly across various parties' preferences is a complex optimization problem, even when such data is available. In an effort to construct such a fair scheduling system under data uncertainty, this paper proposes a joint optimization and learning framework that combines machine learning models trained end-to-end with efficient matching algorithms. This framework aims to produce court scheduling schedules that optimize a principled measure of fairness, balancing the availability and preferences of all parties.

James Kotary, Jacob Christopher, My H Dinh et al.

The integration of constrained optimization models as components in deep networks has led to promising advances on many specialized learning tasks. A central challenge in this setting is backpropagation through the solution of an optimization problem, which often lacks a closed form. One typical strategy is algorithm unrolling, which relies on automatic differentiation through the entire chain of operations executed by an iterative optimization solver. This paper provides theoretical insights into the backward pass of unrolled optimization, showing that it is asymptotically equivalent to the solution of a linear system by a particular iterative method. Several practical pitfalls of unrolling are demonstrated in light of these insights, and a system called Folded Optimization is proposed to construct more efficient backpropagation rules from unrolled solver implementations. Experiments over various end-to-end optimization and learning tasks demonstrate the advantages of this system both computationally, and in terms of flexibility over various optimization problem forms.

James Kotary, Ferdinando Fioretto, Pascal Van Hentenryck et al.

The learning-to-rank problem aims at ranking items to maximize exposure of those most relevant to a user query. A desirable property of such ranking systems is to guarantee some notion of fairness among specified item groups. While fairness has recently been considered in the context of learning-to-rank systems, current methods cannot provide guarantees on the fairness of the proposed ranking policies. This paper addresses this gap and introduces Smart Predict and Optimize for Fair Ranking (SPOFR), an integrated optimization and learning framework for fairness-constrained learning to rank. The end-to-end SPOFR framework includes a constrained optimization sub-model and produces ranking policies that are guaranteed to satisfy fairness constraints while allowing for fine control of the fairness-utility tradeoff. SPOFR is shown to significantly improve current state-of-the-art fair learning-to-rank systems with respect to established performance metrics.

James Kotary, Ferdinando Fioretto, Pascal Van Hentenryck

The Jobs shop Scheduling Problem (JSP) is a canonical combinatorial optimization problem that is routinely solved for a variety of industrial purposes. It models the optimal scheduling of multiple sequences of tasks, each under a fixed order of operations, in which individual tasks require exclusive access to a predetermined resource for a specified processing time. The problem is NP-hard and computationally challenging even for medium-sized instances. Motivated by the increased stochasticity in production chains, this paper explores a deep learning approach to deliver efficient and accurate approximations to the JSP. In particular, this paper proposes the design of a deep neural network architecture to exploit the problem structure, its integration with Lagrangian duality to capture the problem constraints, and a post-processing optimization to guarantee solution feasibility.The resulting method, called JSP-DNN, is evaluated on hard JSP instances from the JSPLIB benchmark library. Computational results show that JSP-DNN can produce JSP approximations of high quality at negligible computational costs.

James Kotary, Ferdinando Fioretto, Pascal Van Hentenryck

Optimization problems are ubiquitous in our societies and are present in almost every segment of the economy. Most of these optimization problems are NP-hard and computationally demanding, often requiring approximate solutions for large-scale instances. Machine learning frameworks that learn to approximate solutions to such hard optimization problems are a potentially promising avenue to address these difficulties, particularly when many closely related problem instances must be solved repeatedly. Supervised learning frameworks can train a model using the outputs of pre-solved instances. However, when the outputs are themselves approximations, when the optimization problem has symmetric solutions, and/or when the solver uses randomization, solutions to closely related instances may exhibit large differences and the learning task can become inherently more difficult. This paper demonstrates this critical challenge, connects the volatility of the training data to the ability of a model to approximate it, and proposes a method for producing (exact or approximate) solutions to optimization problems that are more amenable to supervised learning tasks. The effectiveness of the method is tested on hard non-linear nonconvex and discrete combinatorial problems.

James Kotary, Ferdinando Fioretto, Pascal Van Hentenryck et al.

This paper surveys the recent attempts at leveraging machine learning to solve constrained optimization problems. It focuses on surveying the work on integrating combinatorial solvers and optimization methods with machine learning architectures. These approaches hold the promise to develop new hybrid machine learning and optimization methods to predict fast, approximate, solutions to combinatorial problems and to enable structural logical inference. This paper presents a conceptual review of the recent advancements in this emerging area.