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Andrés Gómez

Publications and source records attributed to Andrés Gómez.

At least 19 recordsLinked to original sources

Learning Risk Scores Robust to Unobserved Confounders

We consider the problem of learning risk scores to prioritize individuals for scarce resources or interventions, from historical observational data affected by unobserved confounding. Decisions about who receives scarce resources are often guided by risk scores based on recorded characteristics, such as responses to a survey. These risk scores are increasingly being learned directly from observational data: historical records of individuals' characteristics, allocation decisions, and outcomes. Standard methods such as inverse propensity weighting (IPW), which corrects for the bias introduced by the historical allocation policy, can be used to learn accurate risk scores if the historical decision process is fully explained by the recorded characteristics. In practice, however, historical decisions often depend on unrecorded information, causing learned risk scores to systematically under-prioritize exactly the individuals whose unrecorded circumstances drove past prioritization. We propose a method for learning risk scores that are robust to this kind of unobserved confounding, building on IPW. Since propensity weights cannot be reliably estimated under unobserved confounding, we instead treat them as belonging to an uncertainty set determined by the observable data and domain-informed estimates of the degree of confounding, combining sensitivity analysis from causal inference with Wasserstein distributionally robust optimization. The resulting robust risk score learning problem admits a sample-based approximation that we reformulate as an exponential cone program compatible with off-the-shelf solvers. We demonstrate the effectiveness of our approach on semi-synthetic data derived from datasets in the UCI Machine Learning Repository. Our method improves calibration by up to 29.2% over traditional benchmarks and up to 11.1% over the state of the art, without compromising other metrics.

cs.LG↗

Energy efficiency of quantum computers

How much energy does a quantum computer consume? Are they more efficient than their classical counterparts? In this work, we make a step towards answering these questions. We define the energy efficiency of a quantum computer as the ratio of the number of algorithms it can perform during a given time over the energy consumed by the hardware during this time. We analyze the most representative physical platforms currently envisioned to be used as building blocks of quantum computers: superconducting qubits, silicon spin qubits, trapped ions, neutral atoms and photonic qubits. Including insights from experts in all these technologies and taking into account algorithm compilation constraints, we discuss the advantages and inconveniences of each platform from an energy standpoint. Beyond providing concrete values of the energy consumption of current quantum computers, we lay the foundation of a framework to benchmark the energy efficiency of any future quantum computing architecture.

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Distributed Variational Quantum Eigensolver: Embarrassingly Parallel strategies on NISQ

Variational Quantum Eigensolver requires many circuit executions, making it ideal for distributed parallelization. However, heterogeneous noise in NISQ devices can skew results and efficiency. Using the CUNQA platform for emulation of virtual QPUs, we evaluate three embarrassingly parallelization strategies (shot-level, circuit-level for gradients and observables and candidate level for population-based optimizers) across metrics like speedup and accuracy.

quant-ph↗

ODTlearn: A Package for Learning Optimal Decision Trees for Prediction and Prescription

ODTlearn is an open source Python package that provides methods for learning optimal decision trees for high-stakes predictive and prescriptive tasks based on the state-of-the-art mixed-integer optimization (MIO) framework proposed in Aghaei et al. (2025). The current version of the package provides implementations for learning optimal classification trees, optimal fair classification trees, optimal prescriptive trees from observational data, and optimal classification trees robust to distribution shifts. We have designed the package to be easy to maintain and extend as new optimal decision tree problem classes, reformulation strategies, and solution algorithms are introduced. To this end, the package follows object-oriented design principles and supports both commercial (Gurobi) and open source (COIN-OR branch and cut) solvers. The package documentation, user guide, installation instructions, link to source code, and instructions for submitting bug reports and feature requests can all be found at https://d3m-research-group.github.io/odtlearn/.

stat.ML↗

Coordinate Optimality Reformulation for Mixed-Integer Convex Programs with Indicators

We consider mixed-integer convex optimization problems in which binary indicators control continuous variables. We introduce the \emph{Coordinate Optimality Reformulation} (CORe) framework, which augments standard indicator formulations by incorporating coordinate-wise optimality information. The resulting reformulations preserve global optimality while substantially improving branch-and-bound performance, particularly in sparse and structured settings where the coordinate-wise optimality conditions expose exploitable problem structure. We first develop the main components of CORe, including coordinate-wise optimality conditions, closed-form characterizations, and disjunctive reformulations. We then demonstrate the framework across multiple problem families, including quadratic problems and robust single-index models. Computational experiments show that CORe can substantially improve solver performance compared with standard big-$M$ formulations.

math.OC↗

Can PCE solve the factorisation problem via optimisation?

The ongoing progress in quantum technologies has fueled a sustained exploration of their potential applications across various domains, particularly in computational problems that are considered intractable for classical systems. Among these problems, integer factorisation remains of special interest due to its relevance to widely used cryptographic schemes such as RSA. Among the different possibilities, one approach to factorisation is to convert the problem into a binary optimisation problem. However, current proposals usually need a large number of qubits that make them unfeasible within the current hardware. In this work, we investigate a possible adaptation of the Pauli Correlation Encoding (PCE) algorithm to the factorisation problem. Due to its compression capability, it can drastically reduce the number of needed qubits. The proposed approach explores how the structure and dynamics of the PCE framework may be employed to encode and analyze candidate factor relations within a quantum computational setting. Rather than presenting a replacement for established quantum factorisation methods, this study aims to provide a preliminary examination of the feasibility and limitations of the proposed adaptation. We discuss the algorithmic design, its conceptual relationship with existing quantum approaches, and the practical constraints associated with implementation on current or near-term quantum hardware. Initial observations suggest that the method may offer an alternative perspective for studying factorisation within the broader context of quantum computation, although no claim is made regarding computational advantage. These results are intended primarily as an exploratory contribution to ongoing research in quantum algorithms and computational number theory.

quant-ph↗

Communication-Efficient Distributed Inverse Quantum Fourier Transform

The scalability of quantum computing is currently limited by physical, technological, and architectural constraints that hinder the integration of a large number of qubits within a single quantum processor. Distributed quantum computing (DQC) has therefore emerged as a viable alternative, aiming to interconnect multiple smaller quantum processing units (QPUs) to jointly operate on a global quantum state. While this paradigm enables scalable architectures, it introduces significant communication overhead due to the cost of non-local quantum operations across distant nodes. In this work we propose a distributed formulation of the iQFT over a quantum network composed of $P$ nodes, each hosting $Q$ qubits, enabling the execution on a logical register of size $n = P \cdot Q$. Furthermore, we introduce a communication-efficient variant based on a threshold-driven pruning strategy, referred to as a \emph{communication horizon}, which exploits the exponentially decreasing significance of controlled-phase rotations to safely omit remote gates with negligible impact. By reducing the number of inter-node quantum interactions, the proposed approach significantly lowers the quantum communication requirements of the distributed iQFT while preserving its functional correctness. Crucially, we show that this approach fundamentally alters the scaling of the algorithm: the entanglement resource consumption per node saturates to a constant value, reducing the global communication complexity from quadratic $\mathcal{O}(P^2)$ to linear $\mathcal{O}(P)$. As the iQFT constitutes a critical building block in many quantum algorithms, the techniques presented in this paper directly contribute to improving the practicality and scalability of distributed quantum computation.

quant-ph↗

Efficient Cross-Validation for Sparse Linear Regression

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 choose hyperparameters that control the sparsity level and amount of regularization, practitioners commonly use k-fold cross-validation. However, cross-validation substantially increases the computational cost of sparse regression as it requires solving many mixed-integer optimization problems (MIOs) for each hyperparameter combination. To address this computational burden, we derive computationally tractable relaxations of the k-fold cross-validation loss, facilitating hyperparameter selection while solving $50$--$80\%$ fewer MIOs in practice. Our computational results demonstrate, across eleven real-world UCI datasets, that exact MIO-based cross-validation can be competitive with mature software packages such as glmnet and L0Learn.

math.OC↗

Benchmark of Pauli Correlation Encoding for different optimisation problems

The continuous progress of quantum technologies has spurred the exploration of their potential applications across diverse fields, particularly in combinatorial optimisation. In this work, we study a quantum-classical optimisation framework based on Pauli Correlation Encoding, an encoding scheme that can represent m binary variables using a polynomial number of qubits. To evaluate the performance of the method, we use three classical optimisation problems against the instances of the QOPTLib benchmark. The study includes an analysis of the impact of the compression order of the encoding scheme, the problem structure, and hyperparameter selection on solution quality, as well as the role of post-processing in improving performance. Additionally, we study the effect of shot-based execution and hardware noise, showing how these factors influence both the accuracy of expected value estimation and the overall dynamics of the optimisation process. The results indicate that the proposed PCE-based framework achieves competitive performance against the benchmark and, in several cases, obtains equivalent or even superior solutions, highlighting its potential as an efficient encoding strategy for quantum optimisation in the NISQ and near fault-tolerant era.

quant-ph↗

Computation of Least Trimmed Squares: A Branch-and-Bound framework with Hyperplane Arrangement Enhancements

We study computational aspects of a key problem in robust statistics -- the penalized least trimmed squares (LTS) regression problem, a robust estimator that mitigates the influence of outliers in data by capping residuals with large magnitudes. Although statistically attractive, penalized LTS is NP-hard, and existing mixed-integer optimization (MIO) formulations scale poorly due to weak relaxations and exponential worst-case complexity in the number of observations. We propose a new MIO formulation that embeds hyperplane arrangement logic into a perspective reformulation, explicitly enforcing structural properties of optimal solutions. We show that, if the number of features is fixed, the resulting branch-and-bound tree is of polynomial size in the sample size. Moreover, we develop a tailored branch-and-bound algorithm that uses first-order methods with dual bounds to solve node relaxations efficiently. Computational experiments on synthetic and real datasets demonstrate substantial improvements over existing MIO approaches: on synthetic instances with 5000 samples and 20 features, our tailored solver reaches a 1% gap in 1 minute while competing approaches fail to do so within one hour. These gains enable exact robust regression at significantly larger sample sizes in low-dimensional settings.

math.OC↗

Solving Convex Quadratic Optimization with Indicators Over Structured Graphs

This paper studies convex quadratic minimization problems in which each continuous variable is coupled with a binary indicator variable. We focus on the structured setting where the Hessian matrix of the quadratic term is positive definite and exhibits sparsity. We develop an exact parametric dynamic programming algorithm whose computational complexity depends explicitly on the treewidth of the Hessian's support graph, its volume growth, and an appropriate margin parameter. Under suitable structural conditions, the overall complexity scales linearly with the problem dimension. To demonstrate the practical impact of our approach, we introduce a novel framework for joint forecasting and outlier detection by extending exponential smoothing to time series with outliers. Computational experiments on both synthetic and real data sets show that our method significantly outperforms state-of-the-art solvers.

math.OC↗

Stability Regularized Cross-Validation

We revisit the problem of ensuring strong test set performance via cross-validation, and propose a nested k-fold cross-validation scheme that selects hyperparameters by minimizing a weighted sum of the usual cross-validation metric and an empirical model-stability measure. The weight on the stability term is itself chosen via a nested cross-validation procedure. This reduces the risk of strong validation set performance and poor test set performance due to instability. We benchmark our procedure on a suite of $13$ real-world datasets, and find that, compared to $k$-fold cross-validation over the same hyperparameters, it improves the out-of-sample MSE for sparse ridge regression and CART by $4\%$ and $2\%$ respectively on average, but has no impact on XGBoost. It also reduces the user's out-of-sample disappointment, sometimes significantly. For instance, for sparse ridge regression, the nested k-fold cross-validation error is on average $0.9\%$ lower than the test set error, while the $k$-fold cross-validation error is $21.8\%$ lower than the test error. Thus, for unstable models such as sparse regression and CART, our approach improves test set performance and reduces out-of-sample disappointment.

math.OC↗

Benchmarking Distributed Quantum Computing Emulators

Scalable quantum computing requires architectural solutions beyond monolithic processors. Distributed quantum computing (DQC) addresses this challenge by interconnecting smaller quantum nodes through quantum communication protocols, enabling collaborative computation. While several experimental and theoretical proposals for DQC exist, emulator platforms are essential tools for exploring their feasibility under realistic conditions. In this work, we introduce a benchmarking framework to evaluate DQC emulators using a distributed implementation of the inverse Quantum Fourier Transform ($\mathrm{QFT}^{\dagger}$) as a representative test case, which enables efficient phase recovery from pre-encoded Fourier states. The QFT is partitioned across nodes using teleportation-based protocols, and performance is analyzed in terms of execution time, memory usage, and fidelity with respect to a monolithic baseline. As part of this work, we review a broad range of emulators, identifying their capabilities and limitations for programming distributed quantum algorithms. Many platforms either lacked support for teleportation protocols or required complex workarounds. Consequently, we select and benchmark four representative emulators: Qiskit Aer, SquidASM, Interlin-q, and SQUANCH. They differ significantly in their support for discrete-event simulation, quantum networking, noise modeling, and parallel execution. Our results highlight the trade-offs between architectural fidelity and simulation scalability, providing a foundation for future emulator development and the validation of distributed quantum protocols. This framework can be extended to support additional algorithms and emulators.

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CUNQA: a Distributed Quantum Computing emulator for HPC

The challenge of scaling quantum computers to gain computational power is expected to lead to architectures with multiple connected quantum processing units (QPUs), commonly referred to as Distributed Quantum Computing (DQC). In parallel, there is a growing momentum toward treating quantum computers as accelerators, integrating them into the heterogeneous architectures of high-performance computing (HPC) environments. This work combines these two foreseeable futures in CUNQA, an open-source DQC emulator designed for HPC environments that allows testing, evaluating and studying DQC in HPC before it even becomes real. It implements the three DQC models of no-communication, classical-communication and quantum-communication; which will be examined in this work. Addressing programming considerations, explaining emulation and simulation details, and delving into the specifics of the implementation will be part of the effort. The well-known Quantum Phase Estimation (QPE) algorithm is used to demonstrate and analyze the emulation of the models. To the best of our knowledge, CUNQA is the first tool designed to emulate the three DQC schemes in an HPC environment.

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Responsible Machine Learning via Mixed-Integer Optimization

In the last few decades, Machine Learning (ML) has achieved significant success across domains ranging from healthcare, sustainability, and the social sciences, to criminal justice and finance. But its deployment in increasingly sophisticated, critical, and sensitive areas affecting individuals, the groups they belong to, and society as a whole raises critical concerns around fairness, transparency and robustness, among others. As the complexity and scale of ML systems and of the settings in which they are deployed grow, so does the need for responsible ML methods that address these challenges while providing guaranteed performance in deployment. Mixed-integer optimization (MIO) offers a powerful framework for embedding responsible ML considerations directly into the learning process while maintaining performance. For example, it enables learning of inherently transparent models that can conveniently incorporate fairness or other domain specific constraints. This tutorial paper provides an accessible and comprehensive introduction to this topic discussing both theoretical and practical aspects. It outlines some of the core principles of responsible ML, their importance in applications, and the practical utility of MIO for building ML models that align with these principles. Through examples and mathematical formulations, it illustrates practical strategies and available tools for efficiently solving MIO problems for responsible ML. It concludes with a discussion on current limitations and open research questions, providing suggestions for future work.

cs.LG↗

Learning Optimal Classification Trees Robust to Distribution Shifts

We consider the problem of learning classification trees that are robust to distribution shifts between training and testing/deployment data. This problem arises frequently in high stakes settings such as public health and social work where data is often collected using self-reported surveys which are highly sensitive to e.g., the framing of the questions, the time when and place where the survey is conducted, and the level of comfort the interviewee has in sharing information with the interviewer. We propose a method for learning optimal robust classification trees based on mixed-integer robust optimization technology. In particular, we demonstrate that the problem of learning an optimal robust tree can be cast as a single-stage mixed-integer robust optimization problem with a highly nonlinear and discontinuous objective. We reformulate this problem equivalently as a two-stage linear robust optimization problem for which we devise a tailored solution procedure based on constraint generation. We evaluate the performance of our approach on numerous publicly available datasets, and compare the performance to a regularized, non-robust optimal tree. We show an increase of up to 12.48% in worst-case accuracy and of up to 4.85% in average-case accuracy across several datasets and distribution shifts from using our robust solution in comparison to the non-robust one.

cs.LG↗

Convex Submodular Minimization with Indicator Variables

We study a general class of convex submodular optimization problems with indicator variables. Many applications such as the problem of inferring Markov random fields (MRFs) with a sparsity or robustness prior can be naturally modeled in this form. We show that these problems can be reduced to binary submodular minimization problems, possibly after a suitable reformulation, and thus are strongly polynomially solvable. Furthermore, we develop a parametric approach for computing the associated extreme bases under certain smoothness conditions. This leads to a fast solution method, whose efficiency is demonstrated through numerical experiments.

math.OC↗

QMIO: A tightly integrated hybrid HPCQC system

High-Performance Computing (HPC) systems are the most powerful tools that we currently have to solve complex scientific simulations. Quantum computing (QC) has the potential to enhance HPC systems by accelerating the execution of specific kernels that can be offloaded to a Quantum Processing Unit (QPU), granting them new capabilities, improving the speed of computation, or reducing energy consumption. In this paper, we present QMIO: a state-of-the-art hybrid HPCQC system, which tightly integrates HPC and QC. We describe its hardware and software components, the integration middleware, and the lessons learned during the design, implementation, and operation of the system.

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