Ismael Faro

Juan Cruz-Benito, Ismael Faro

We adapt Microsoft's QuantumKatas -- a well-established quantum computing curriculum -- from Q# to Qiskit, the most widely-adopted quantum computing framework, and package it with an evaluation framework for systematic LLM assessment. The resulting benchmark comprises 350 tasks across 26 categories, spanning fundamental gates through advanced algorithms (Grover's, Simon's, Deutsch-Jozsa), error correction, key distribution, and quantum games. Each task includes a natural language prompt, canonical solution, and deterministic test verification via classical circuit simulation. By building on the QuantumKatas' proven pedagogical design rather than creating tasks from scratch, we inherit a principled difficulty progression and comprehensive concept coverage while contributing the framework adaptation, evaluation infrastructure, and empirical analysis. We evaluate 16 LLMs across 7 prompting configurations -- a total of 39,200 model runs -- to demonstrate the benchmark's utility. Three key findings emerge: (1) the benchmark effectively differentiates model capabilities, with best-configuration pass rates ranging from 32.3% to 83.1% and a 26.1 pp average gap between frontier and open-source models; (2) models perform well at implementing known algorithms (SimonsAlgorithm 82.1%, BasicGates 81.6%) but struggle with problem encoding (SolveSATWithGrover 34.4%, DistinguishUnitaries 40.0%); and (3) chain-of-thought prompting shows a modestly bimodal effect -- it is the best strategy for three models (two of them explicitly reasoning-tuned per vendor documentation) but degrades performance for the rest, leaving it mid-pack in aggregate (56.3% mean) behind few-shot-5 (57.8%). We release the benchmark, evaluation framework, and baseline results to support research on LLM capabilities in quantum computing.

Juan Cruz-Benito, Andrew W. Cross, David Kremer et al.

Quantum LDPC code discovery requires searching large algebraic design spaces while reliably certifying the parameters and equivalence classes of any candidates found. We introduce an LLM-guided evolutionary workflow in which language models mutate Python programs that generate bivariate-bicycle and perturbed bivariate-bicycle code ansätze. Across five campaigns, the system performed approximately 1{,}650 evolutionary iterations, screened about $2 \times 10^5$ candidate codes, and required ${\sim}140$ hours of computation and ${\sim}$US\$400 in LLM inference cost. Candidate codes are evaluated through a staged validation pipeline combining $\mathrm{GF}(2)$ rank computation, distance estimation and certification, mixed-integer linear programming, BLISS Tanner-graph deduplication, decomposability analysis, and local-Clifford equivalence checks. At block length $n \leq 360$, the workflow identifies 465 distinct candidate codes: 97 CSS bivariate-bicycle codes and 368 non-CSS perturbed variants. The CSS search recovers known high-performing codes and finds new finite-length representatives, including an indecomposable [[288,16,12]] code and higher-weight codes with up to $k = 50$ at distance $d = 8$. The non-CSS search produces perturbed codes matching the gross-code figure of merit at [[144,12,12]], along with additional high-distance candidates reported as certified values or upper bounds according to MILP status. Overall, these results show that LLM-guided program evolution can serve as a practical tool for structured quantum-code discovery when paired with independent evaluation.

David Kremer, Victor Villar, Sanjay Vishwakarma et al. · ibm-research

This paper explores artificial intelligence (AI) methods for the approximate compiling of unitaries, focusing on the use of fixed two-qubit gates and arbitrary single-qubit rotations typical in superconducting hardware. Our approach involves three main stages: identifying an initial template that approximates the target unitary, predicting initial parameters for this template, and refining these parameters to maximize the fidelity of the circuit. We propose AI-driven approaches for the first two stages, with a deep learning model that suggests initial templates and an autoencoder-like model that suggests parameter values, which are refined through gradient descent to achieve the desired fidelity. We demonstrate the method on 2 and 3-qubit unitaries, showcasing promising improvements over exhaustive search and random parameter initialization. The results highlight the potential of AI to enhance the transpiling process, supporting more efficient quantum computations on current and future quantum hardware.

Nicolas Dupuis, Adarsh Tiwari, Youssef Mroueh et al.

Qiskit is an open-source quantum computing framework that allows users to design, simulate, and run quantum circuits on real quantum hardware. We explore post-training techniques for LLMs to assist in writing Qiskit code. We introduce quantum verification as an effective method for ensuring code quality and executability on quantum hardware. To support this, we developed a synthetic data pipeline that generates quantum problem-unit test pairs and used it to create preference data for aligning LLMs with DPO. Additionally, we trained models using GRPO, leveraging quantum-verifiable rewards provided by the quantum hardware. Our best-performing model, combining DPO and GRPO, surpasses the strongest open-source baselines on the challenging Qiskit-HumanEval-hard benchmark.

David Kremer, Victor Villar, Hanhee Paik et al. · ibm-research

This paper demonstrates the integration of Reinforcement Learning (RL) into quantum transpiling workflows, significantly enhancing the synthesis and routing of quantum circuits. By employing RL, we achieve near-optimal synthesis of Linear Function, Clifford, and Permutation circuits, up to 9, 11 and 65 qubits respectively, while being compatible with native device instruction sets and connectivity constraints, and orders of magnitude faster than optimization methods such as SAT solvers. We also achieve significant reductions in two-qubit gate depth and count for circuit routing up to 133 qubits with respect to other routing heuristics such as SABRE. We find the method to be efficient enough to be useful in practice in typical quantum transpiling pipelines. Our results set the stage for further AI-powered enhancements of quantum computing workflows.

Lucy Xing, Sanjay Vishwakarma, David Kremer et al.

This paper explores the application of machine learning (ML) techniques in predicting the QPU processing time of quantum jobs. By leveraging ML algorithms, this study introduces predictive models that are designed to enhance operational efficiency in quantum computing systems. Using a dataset of about 150,000 jobs that follow the IBM Quantum schema, we employ ML methods based on Gradient-Boosting (LightGBM) to predict the QPU processing times, incorporating data preprocessing methods to improve model accuracy. The results demonstrate the effectiveness of ML in forecasting quantum jobs. This improvement can have implications on improving resource management and scheduling within quantum computing frameworks. This research not only highlights the potential of ML in refining quantum job predictions but also sets a foundation for integrating AI-driven tools in advanced quantum computing operations.

Victor Villar, Juan Cruz-Benito, Ismael Faro et al.

This paper investigates artificial intelligence (AI) methodologies for the synthesis and transpilation of permutation circuits across generic topologies. Our approach uses Reinforcement Learning (RL) techniques to achieve near-optimal synthesis of permutation circuits up to 25 qubits. Rather than developing specialized models for individual topologies, we train a foundational model on a generic rectangular lattice, and employ masking mechanisms to dynamically select subsets of topologies during the synthesis. This enables the synthesis of permutation circuits on any topology that can be embedded within the rectangular lattice, without the need to re-train the model. In this paper we show results for 5x5 lattice and compare them to previous AI topology-oriented models and classical methods, showing that they outperform classical heuristics, and match previous specialized AI models, and performs synthesis even for topologies that were not seen during training. We further show that the model can be fine tuned to strengthen the performance for selected topologies of interest. This methodology allows a single trained model to efficiently synthesize circuits across diverse topologies, allowing its practical integration into transpilation workflows.

Sanjay Vishwakarma, Francis Harkins, Siddharth Golecha et al.

Quantum programs are typically developed using quantum Software Development Kits (SDKs). The rapid advancement of quantum computing necessitates new tools to streamline this development process, and one such tool could be Generative Artificial intelligence (GenAI). In this study, we introduce and use the Qiskit HumanEval dataset, a hand-curated collection of tasks designed to benchmark the ability of Large Language Models (LLMs) to produce quantum code using Qiskit - a quantum SDK. This dataset consists of more than 100 quantum computing tasks, each accompanied by a prompt, a canonical solution, a comprehensive test case, and a difficulty scale to evaluate the correctness of the generated solutions. We systematically assess the performance of a set of LLMs against the Qiskit HumanEval dataset's tasks and focus on the models ability in producing executable quantum code. Our findings not only demonstrate the feasibility of using LLMs for generating quantum code but also establish a new benchmark for ongoing advancements in the field and encourage further exploration and development of GenAI-driven tools for quantum code generation.

Juan Cruz-Benito, Sanjay Vishwakarma, Francisco Martin-Fernandez et al.

In recent years, the use of deep learning in language models gained much attention. Some research projects claim that they can generate text that can be interpreted as human-writing, enabling new possibilities in many application areas. Among the different areas related to language processing, one of the most notable in applying this type of modeling is programming languages. For years, the Machine Learning community has been researching this software engineering area, pursuing goals like applying different approaches to auto-complete, generate, fix, or evaluate code programmed by humans. Considering the increasing popularity of the Deep-Learning-enabled language models approach, we detected a lack of empirical papers that compare different deep learning architectures to create and use language models based on programming code. This paper compares different neural network architectures like AWD-LSTMs, AWD-QRNNs, and Transformer while using transfer learning and different tokenizations to see how they behave in building language models using a Python dataset for code generation and filling mask tasks. Considering the results, we discuss each approach's different strengths and weaknesses and what gaps we find to evaluate the language models or apply them in a real programming context.