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Ilya Safro

Ilya Safro contributes to research discovery and scholarly infrastructure.

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Published work

19 published item(s)

preprint2026arXiv

QAP-Router: Tackling Qubit Routing as Dynamic Quadratic Assignment with Reinforcement Learning

Qubit routing is a fundamental problem in quantum compilation, known to be NP-hard. Its dynamic nature makes local routing decisions propagate and compound over time, making global efficient solutions challenging. Existing heuristic methods rely on local rules with limited lookahead, while recent learning-based approaches often treat routing as a generic sequential decision problem without fully exploiting its underlying structure. In this paper, we introduce QAP-Router, framing qubit routing based on a dynamic Quadratic Assignment Problem (QAP) formulation. By modeling logical interactions, or quantum gates, as flow matrices and hardware topology as a distance matrix, our approach captures the interaction-distance coupling in a unified objective, which defines the reward in the reinforcement learning environment. To further exploit this structure, the policy network employs a solution-aware Transformer backbone that encodes the interaction between the flow matrix and the distance matrix into the attention mechanism. We also integrate a lookahead mechanism that blends naturally into the QAP framework, preventing myopic decisions. Extensive experiments on 1,831 real-world quantum circuits from the MQTBench, AgentQ and QUEKO datasets show that our method substantially reduces the CNOT gate count of routed circuits by 15.7%, 30.4% and 12.1%, respectively, relative to existing industry compilers.

preprint2022arXiv

A Survey of Quantum Computing for Finance

Quantum computers are expected to surpass the computational capabilities of classical computers during this decade and have transformative impact on numerous industry sectors, particularly finance. In fact, finance is estimated to be the first industry sector to benefit from quantum computing, not only in the medium and long terms, but even in the short term. This survey paper presents a comprehensive summary of the state of the art of quantum computing for financial applications, with particular emphasis on stochastic modeling, optimization, and machine learning, describing how these solutions, adapted to work on a quantum computer, can potentially help to solve financial problems, such as derivative pricing, risk modeling, portfolio optimization, natural language processing, and fraud detection, more efficiently and accurately. We also discuss the feasibility of these algorithms on near-term quantum computers with various hardware implementations and demonstrate how they relate to a wide range of use cases in finance. We hope this article will not only serve as a reference for academic researchers and industry practitioners but also inspire new ideas for future research.

preprint2022arXiv

BEINIT: Avoiding Barren Plateaus in Variational Quantum Algorithms

Barren plateaus are a notorious problem in the optimization of variational quantum algorithms and pose a critical obstacle in the quest for more efficient quantum machine learning algorithms. Many potential reasons for barren plateaus have been identified but few solutions have been proposed to avoid them in practice. Existing solutions are mainly focused on the initialization of unitary gate parameters without taking into account the changes induced by input data. In this paper, we propose an alternative strategy which initializes the parameters of a unitary gate by drawing from a beta distribution. The hyperparameters of the beta distribution are estimated from the data. To further prevent barren plateau during training we add a novel perturbation at every gradient descent step. Taking these ideas together, we empirically show that our proposed framework significantly reduces the possibility of a complex quantum neural network getting stuck in a barren plateau.

preprint2022arXiv

Constructing Optimal Contraction Trees for Tensor Network Quantum Circuit Simulation

One of the key problems in tensor network based quantum circuit simulation is the construction of a contraction tree which minimizes the cost of the simulation, where the cost can be expressed in the number of operations as a proxy for the simulation running time. This same problem arises in a variety of application areas, such as combinatorial scientific computing, marginalization in probabilistic graphical models, and solving constraint satisfaction problems. In this paper, we reduce the computationally hard portion of this problem to one of graph linear ordering, and demonstrate how existing approaches in this area can be utilized to achieve results up to several orders of magnitude better than existing state of the art methods for the same running time. To do so, we introduce a novel polynomial time algorithm for constructing an optimal contraction tree from a given order. Furthermore, we introduce a fast and high quality linear ordering solver, and demonstrate its applicability as a heuristic for providing orderings for contraction trees. Finally, we compare our solver with competing methods for constructing contraction trees in quantum circuit simulation on a collection of randomly generated Quantum Approximate Optimization Algorithm Max Cut circuits and show that our method achieves superior results on a majority of tested quantum circuits. Reproducibility: Our source code and data are available at https://github.com/cameton/HPEC2022_ContractionTrees.

preprint2022arXiv

Layer VQE: A Variational Approach for Combinatorial Optimization on Noisy Quantum Computers

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative Layer VQE (L-VQE) approach, inspired by the Variational Quantum Eigensolver (VQE). We present a large-scale numerical study, simulating circuits with up to 40 qubits and 352 parameters, that demonstrates the potential of the proposed approach. We evaluate quantum optimization heuristics on the problem of detecting multiple communities in networks, for which we introduce a novel qubit-frugal formulation. We numerically compare L-VQE with Quantum Approximate Optimization Algorithm (QAOA) and demonstrate that QAOA achieves lower approximation ratios while requiring significantly deeper circuits. We show that L-VQE is more robust to finite sampling errors and has a higher chance of finding the solution as compared with standard VQE approaches. Our simulation results show that L-VQE performs well under realistic hardware noise.

preprint2022arXiv

Partitioning Dense Graphs with Hardware Accelerators

Graph partitioning is a fundamental combinatorial optimization problem that attracts a lot of attention from theoreticians and practitioners due to its broad applications. From multilevel graph partitioning to more general-purpose optimization solvers such as Gurobi and CPLEX, a wide range of approaches have been developed. Limitations of these approaches are important to study in order to break the computational optimization barriers of this problem. As we approach the limits of Moore's law, there is now a need to explore ways of solving such problems with special-purpose hardware such as quantum computers or quantum-inspired accelerators. In this work, we experiment with solving the graph partitioning on the Fujitsu Digital Annealer (a special-purpose hardware designed for solving combinatorial optimization problems) and compare it with the existing top solvers. We demonstrate limitations of existing solvers on many dense graphs as well as those of the Digital Annealer on sparse graphs which opens an avenue to hybridize these approaches.

preprint2022arXiv

Proactive Query Expansion for Streaming Data Using External Source

Query expansion is the process of reformulating the original query by adding relevant words. Choosing which terms to add in order to improve the performance of the query expansion methods or to enhance the quality of the retrieved results is an important aspect of any information retrieval system. Adding words that can positively impact the quality of the search query or are informative enough play an important role in returning or gathering relevant documents that cover a certain topic can result in improving the efficiency of the information retrieval system. Typically, query expansion techniques are used to add or substitute words to a given search query to collect relevant data. In this paper, we design and implement a pipeline of automated query expansion. We outline several tools using different methods to expand the query. Our methods depend on targeting emergent events in streaming data over time and finding the hidden topics from targeted documents using probabilistic topic models. We employ Dynamic Eigenvector Centrality to trigger the emergent events, and the Latent Dirichlet Allocation to discover the topics. Also, we use an external data source as a secondary stream to supplement the primary stream with relevant words and expand the query using the words from both primary and secondary streams. An experimental study is performed on Twitter data (primary stream) related to the events that happened during protests in Baltimore in 2015. The quality of the retrieved results was measured using a quality indicator of the streaming data: tweets count, hashtag count, and hashtag clustering.

preprint2021arXiv

CONFAIR: Configurable and Interpretable Algorithmic Fairness

The rapid growth of data in the recent years has led to the development of complex learning algorithms that are often used to make decisions in real world. While the positive impact of the algorithms has been tremendous, there is a need to mitigate any bias arising from either training samples or implicit assumptions made about the data samples. This need becomes critical when algorithms are used in automated decision making systems that can hugely impact people's lives. Many approaches have been proposed to make learning algorithms fair by detecting and mitigating bias in different stages of optimization. However, due to a lack of a universal definition of fairness, these algorithms optimize for a particular interpretation of fairness which makes them limited for real world use. Moreover, an underlying assumption that is common to all algorithms is the apparent equivalence of achieving fairness and removing bias. In other words, there is no user defined criteria that can be incorporated into the optimization procedure for producing a fair algorithm. Motivated by these shortcomings of existing methods, we propose the CONFAIR procedure that produces a fair algorithm by incorporating user constraints into the optimization procedure. Furthermore, we make the process interpretable by estimating the most predictive features from data. We demonstrate the efficacy of our approach on several real world datasets using different fairness criteria.

preprint2021arXiv

Coping with Mistreatment in Fair Algorithms

Machine learning actively impacts our everyday life in almost all endeavors and domains such as healthcare, finance, and energy. As our dependence on the machine learning increases, it is inevitable that these algorithms will be used to make decisions that will have a direct impact on the society spanning all resolutions from personal choices to world-wide policies. Hence, it is crucial to ensure that (un)intentional bias does not affect the machine learning algorithms especially when they are required to take decisions that may have unintended consequences. Algorithmic fairness techniques have found traction in the machine learning community and many methods and metrics have been proposed to ensure and evaluate fairness in algorithms and data collection. In this paper, we study the algorithmic fairness in a supervised learning setting and examine the effect of optimizing a classifier for the Equal Opportunity metric. We demonstrate that such a classifier has an increased false positive rate across sensitive groups and propose a conceptually simple method to mitigate this bias. We rigorously analyze the proposed method and evaluate it on several real world datasets demonstrating its efficacy.

preprint2020arXiv

AGATHA: Automatic Graph-mining And Transformer based Hypothesis generation Approach

Medical research is risky and expensive. Drug discovery, as an example, requires that researchers efficiently winnow thousands of potential targets to a small candidate set for more thorough evaluation. However, research groups spend significant time and money to perform the experiments necessary to determine this candidate set long before seeing intermediate results. Hypothesis generation systems address this challenge by mining the wealth of publicly available scientific information to predict plausible research directions. We present AGATHA, a deep-learning hypothesis generation system that can introduce data-driven insights earlier in the discovery process. Through a learned ranking criteria, this system quickly prioritizes plausible term-pairs among entity sets, allowing us to recommend new research directions. We massively validate our system with a temporal holdout wherein we predict connections first introduced after 2015 using data published beforehand. We additionally explore biomedical sub-domains, and demonstrate AGATHA's predictive capacity across the twenty most popular relationship types. This system achieves best-in-class performance on an established benchmark, and demonstrates high recommendation scores across subdomains. Reproducibility: All code, experimental data, and pre-trained models are available online: sybrandt.com/2020/agatha

preprint2020arXiv

FOBE and HOBE: First- and High-Order Bipartite Embeddings

Typical graph embeddings may not capture type-specific bipartite graph features that arise in such areas as recommender systems, data visualization, and drug discovery. Machine learning methods utilized in these applications would be better served with specialized embedding techniques. We propose two embeddings for bipartite graphs that decompose edges into sets of indirect relationships between node neighborhoods. When sampling higher-order relationships, we reinforce similarities through algebraic distance on graphs. We also introduce ensemble embeddings to combine both into a "best of both worlds" embedding. The proposed methods are evaluated on link prediction and recommendation tasks and compared with other state-of-the-art embeddings. While being all highly beneficial in applications, we demonstrate that none of the considered embeddings is clearly superior (in contrast to what is claimed in many papers), and discuss the trade offs present among them. Reproducibility: Our code, data sets, and results are all publicly available online at: http://sybrandt.com/2020/fobe_hobe.

preprint2020arXiv

Hypergraph Partitioning With Embeddings

Problems in scientific computing, such as distributing large sparse matrix operations, have analogous formulations as hypergraph partitioning problems. A hypergraph is a generalization of a traditional graph wherein "hyperedges" may connect any number of nodes. As a result, hypergraph partitioning is an NP-Hard problem to both solve or approximate. State-of-the-art algorithms that solve this problem follow the multilevel paradigm, which begins by iteratively "coarsening" the input hypergraph to smaller problem instances that share key structural features. Once identifying an approximate problem that is small enough to be solved directly, that solution can be interpolated and refined to the original problem. While this strategy represents an excellent trade off between quality and running time, it is sensitive to coarsening strategy. In this work we propose using graph embeddings of the initial hypergraph in order to ensure that coarsened problem instances retrain key structural features. Our approach prioritizes coarsening within self-similar regions within the input graph, and leads to significantly improved solution quality across a range of considered hypergraphs. Reproducibility: All source code, plots and experimental data are available at https://sybrandt.com/2019/partition.

preprint2020arXiv

Multilevel Combinatorial Optimization Across Quantum Architectures

Emerging quantum processors provide an opportunity to explore new approaches for solving traditional problems in the post Moore's law supercomputing era. However, the limited number of qubits makes it infeasible to tackle massive real-world datasets directly in the near future, leading to new challenges in utilizing these quantum processors for practical purposes. Hybrid quantum-classical algorithms that leverage both quantum and classical types of devices are considered as one of the main strategies to apply quantum computing to large-scale problems. In this paper, we advocate the use of multilevel frameworks for combinatorial optimization as a promising general paradigm for designing hybrid quantum-classical algorithms. In order to demonstrate this approach, we apply this method to two well-known combinatorial optimization problems, namely, the Graph Partitioning Problem, and the Community Detection Problem. We develop hybrid multilevel solvers with quantum local search on D-Wave's quantum annealer and IBM's gate-model based quantum processor. We carry out experiments on graphs that are orders of magnitudes larger than the current quantum hardware size, and we observe results comparable to state-of-the-art solvers in terms of quality of the solution.

preprint2020arXiv

Recent Advances in Scalable Network Generation

Random graph models are frequently used as a controllable and versatile data source for experimental campaigns in various research fields. Generating such data-sets at scale is a non-trivial task as it requires design decisions typically spanning multiple areas of expertise. Challenges begin with the identification of relevant domain-specific network features, continue with the question of how to compile such features into a tractable model, and culminate in algorithmic details arising while implementing the pertaining model. In the present survey, we explore crucial aspects of random graph models with known scalable generators. We begin by briefly introducing network features considered by such models, and then discuss random graphs alongside with generation algorithms. Our focus lies on modelling techniques and algorithmic primitives that have proven successful in obtaining massive graphs. We consider concepts and graph models for various domains (such as social network, infrastructure, ecology, and numerical simulations), and discuss generators for different models of computation (including shared-memory parallelism, massive-parallel GPUs, and distributed systems).

preprint2020arXiv

Unsupervised Hierarchical Graph Representation Learning by Mutual Information Maximization

Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a hierarchical manner, and can miss key higher-order structural features of many graphs. The hierarchical aggregation also enables the graph representations to be explainable. In addition, supervised graph representation learning requires labeled data, which is expensive and error-prone. To address these issues, we present an unsupervised graph representation learning method, Unsupervised Hierarchical Graph Representation (UHGR), which can generate hierarchical representations of graphs. Our method focuses on maximizing mutual information between "local" and high-level "global" representations, which enables us to learn the node embeddings and graph embeddings without any labeled data. To demonstrate the effectiveness of the proposed method, we perform the node and graph classification using the learned node and graph embeddings. The results show that the proposed method achieves comparable results to state-of-the-art supervised methods on several benchmarks. In addition, our visualization of hierarchical representations indicates that our method can capture meaningful and interpretable clusters.

preprint2019arXiv

Multistart Methods for Quantum Approximate Optimization

Hybrid quantum-classical algorithms such as the quantum approximate optimization algorithm (QAOA) are considered one of the most promising approaches for leveraging near-term quantum computers for practical applications. Such algorithms are often implemented in a variational form, combining classical optimization methods with a quantum machine to find parameters to maximize performance. The quality of the QAOA solution depends heavily on quality of the parameters produced by the classical optimizer. Moreover, the presence of multiple local optima in the space of parameters makes it harder for the classical optimizer. In this paper we study the use of a multistart optimization approach within a QAOA framework to improve the performance of quantum machines on important graph clustering problems. We also demonstrate that reusing the optimal parameters from similar problems can improve the performance of classical optimization methods, expanding on similar results for MAXCUT.

preprint2019arXiv

Network Community Detection On Small Quantum Computers

In recent years a number of quantum computing devices with small numbers of qubits became available. We present a hybrid quantum local search (QLS) approach that combines a classical machine and a small quantum device to solve problems of practical size. The proposed approach is applied to the network community detection problem. QLS is hardware-agnostic and easily extendable to new quantum computing devices as they become available. We demonstrate it to solve the 2-community detection problem on graphs of size up to 410 vertices using the 16-qubit IBM quantum computer and D-Wave 2000Q, and compare their performance with the optimal solutions. Our results demonstrate that QLS perform similarly in terms of quality of the solution and the number of iterations to convergence on both types of quantum computers and it is capable of achieving results comparable to state-of-the-art solvers in terms of quality of the solution including reaching the optimal solutions.

preprint2019arXiv

Relaxation-Based Coarsening for Multilevel Hypergraph Partitioning

Multilevel partitioning methods that are inspired by principles of multiscaling are the most powerful practical hypergraph partitioning solvers. Hypergraph partitioning has many applications in disciplines ranging from scientific computing to data science. In this paper we introduce the concept of algebraic distance on hypergraphs and demonstrate its use as an algorithmic component in the coarsening stage of multilevel hypergraph partitioning solvers. The algebraic distance is a vertex distance measure that extends hyperedge weights for capturing the local connectivity of vertices which is critical for hypergraph coarsening schemes. The practical effectiveness of the proposed measure and corresponding coarsening scheme is demonstrated through extensive computational experiments on a diverse set of problems. Finally, we propose a benchmark of hypergraph partitioning problems to compare the quality of other solvers.

preprint2018arXiv

Aggregative Coarsening for Multilevel Hypergraph Partitioning

Algorithms for many hypergraph problems, including partitioning, utilize multilevel frameworks to achieve a good trade-off between the performance and the quality of results. In this paper we introduce two novel aggregative coarsening schemes and incorporate them within state-of-the-art hypergraph partitioner Zoltan. Our coarsening schemes are inspired by the algebraic multigrid and stable matching approaches. We demonstrate the effectiveness of the developed schemes as a part of multilevel hypergraph partitioning framework on a wide range of problems.