Alejandro Gomez Cadavid

Protein folding on a 64 qubit trapped-ion hardware via counterdiabatic quantum optimization

Alejandro Gomez Cadavid [1,2], Pavle NikaÄ\udc8dević, Pranav Chandarana [1,2,3,4], Sebastián V. Romero, Enrique Solano [1], Narendra N. Hegade [1,5], Miguel Angel Lopez-Ruiz, Claudio Girotto, Hanna Linn, Hakan Doga, Evgeny Epifanovsky, Panagiotis Kl. Barkoutsos, Ananth Kaushik, Martin Roetteler

Abstract

We report the largest trapped-ion hardware demonstration of lattice protein-folding optimization to date, using bias-field digitized counterdiabatic quantum optimization (BF-DCQO) on a fully connected 64-qubit Barium development system similar to the forthcoming IonQ Tempo line. Six peptide sequences with 14-16 amino-acid residues are encoded using a coarse-grained tetrahedral lattice model, yielding higher-order spin-glass Hamiltonians with long-range interactions involving up to five-body terms and mapped to 46-61 qubits. The resulting instances are demanding for near-term quantum hardware because low-energy configurations must satisfy backbone-geometry constraints while optimizing dense residue-contact interactions. BF-DCQO uses a non-variational bias-feedback mechanism, where low-energy samples from each round define longitudinal fields that guide subsequent quantum evolutions. Across the studied instances, BF-DCQO shifts raw sampled energy distributions toward lower energies than uniform random sampling, with the strongest improvements appearing in residue-contact variables. To preserve this signal, we introduce a consensus-based post-processing pipeline that combines quantum-learned contact information with feasible backbone geometries. The resulting hybrid workflow reaches the classical reference energy in multiple instances and improves over the corresponding random-seeded pipeline. These results show that BF-DCQO can generate structured samples for dense protein-folding Hamiltonians at previously unexplored trapped-ion scales.

Protein folding with an all-to-all trapped-ion quantum computer

Sebastián V. Romero, Alejandro Gomez Cadavid [1,2], Pavle NikaÄ\udc8dević, Enrique Solano [1], Narendra N. Hegade [1], Miguel Angel Lopez-Ruiz, Claudio Girotto, Masako Yamada, Panagiotis Kl. Barkoutsos, Ananth Kaushik, Martin Roetteler

Abstract

We experimentally demonstrate that the bias-field digitized counterdiabatic quantum optimization (BF-DCQO) algorithm, implemented on IonQ's fully connected trapped-ion quantum processors, offers an efficient approach to solving dense higher-order unconstrained binary optimization (HUBO) problems. Specifically, we tackle protein folding on a tetrahedral lattice for up to 12 amino acids, representing the largest quantum hardware implementations of protein folding problems reported to date. Additionally, we address MAX 4-SAT instances at the computational phase transition and fully connected spin-glass problems using all 36 available qubits. Across all considered cases, our method consistently achieves optimal solutions, highlighting the powerful synergy between non-variational quantum optimization approaches and the intrinsic all-to-all connectivity of trapped-ion architectures. Given the expected scalability of trapped-ion quantum systems, BF-DCQO represents a promising pathway toward practical quantum advantage for dense HUBO problems with significant industrial and scientific relevance.

Digitized Counterdiabatic Quantum Algorithms for Logistics Scheduling

Archismita Dalal [1], Iraitz Montalban [1], Narendra N. Hegade [1], Alejandro Gomez Cadavid [1,2], Enrique Solano [1], Abhishek Awasthi [3], Davide Vodola [3], Caitlin Jones [3], Horst Weiss [4,1], Gernot Füchsel

Abstract

We study a job shop scheduling problem for an automatized robot in a high-throughput laboratory and a travelling salesperson problem with recently proposed digitized counterdiabatic quantum optimization (DCQO)algorithms. In DCQO, we find the solution of an optimization problem via an adiabatic quantum dynamics, which is accelerated with counterdiabatic protocols. Thereafter, we digitize the global unitary to encode it in a digital quantum computer. For the job-shop scheduling problem, we aim at finding the optimal schedule for a robot executing a number of tasks under specific constraints, such that the total execution time of the process is minimized. For the traveling salesperson problem, the goal is to find the path that covers all cities and is associated with the shortest traveling distance. We consider both hybrid and pure versions of DCQO algorithms and benchmark the performance against digitized quantum annealing and the quantum approximate optimization algorithm (QAOA). In comparison to QAOA, the DCQO solution is improved by several orders of magnitude in success probability using the same number of two-qubit gates. Moreover, we implement our algorithms on cloud-based superconducting and trapped-ion quantum processors. Our results demonstrate that circuit compression using counterdiabatic protocols is amenable to current NISQ hardware and can solve logistics scheduling problems, where other digital quantum algorithms show insufficient performance.

Bias-field digitized counterdiabatic quantum optimization

Alejandro Gomez Cadavid [1,2], Archismita Dalal [1], Anton Simen [1], Enrique Solano [1], Narendra N. Hegade [1]

Abstract

We introduce a method for solving combinatorial optimization problems on digital quantum computers, where we incorporate auxiliary counterdiabatic (CD) terms into the adiabatic Hamiltonian, while integrating bias terms derived from an iterative digitized counterdiabatic quantum algorithm. We call this protocol bias-field digitized counterdiabatic quantum optimization (BF-DCQO). Designed to effectively tackle large-scale combinatorial optimization problems, BF-DCQO demonstrates resilience against the limitations posed by the restricted coherence times of current quantum processors and shows clear enhancement even in the presence of noise. Additionally, our purely quantum approach eliminates the dependency on classical optimization required in hybrid classical-quantum schemes, thereby circumventing the trainability issues often associated with variational quantum algorithms. Through the analysis of an all-to-all connected general Ising spin-glass problem, we exhibit a polynomial scaling enhancement in ground state success probability compared to traditional DCQO and finite-time adiabatic quantum optimization methods. Furthermore, it achieves scaling improvements in ground state success probabilities, increasing by up to two orders of magnitude, and offers an average 1.3x better approximation ratio than the quantum approximate optimization algorithm for the problem sizes studied. We validate these findings through experimental implementations on both trapped-ion quantum computers and superconducting processors, tackling a maximum weighted independent set problem with 36 qubits and a spin-glass on a heavy-hex lattice with 100 qubits, respectively. These results mark a significant advancement in gate-based quantum computing, employing a fully quantum algorithmic approach.

Digital-Analog Counterdiabatic Quantum Optimization with Trapped Ions

Shubham Kumar [1], Narendra N. Hegade [1], Alejandro Gomez Cadavid [1,2], Murilo Henrique de Oliveira [1], Enrique Solano [1,3], F. Albarrán-Arriagada

Abstract

We introduce a hardware-specific, problem-dependent digital-analog quantum algorithm of a counterdiabatic quantum dynamics tailored for optimization problems. Specifically, we focus on trapped-ion architectures, taking advantage from global Mølmer-Sørensen gates as the analog interactions complemented by digital gates, both of which are available in the state-of-the-art technologies. We show an optimal configuration of analog blocks and digital steps leading to a substantial reduction in circuit depth compared to the purely digital approach. This implies that, using the proposed encoding, we can address larger optimization problem instances, requiring more qubits, while preserving the coherence time of current devices. Furthermore, we study the minimum gate fidelity required by the analog blocks to outperform the purely digital simulation, finding that it is below the best fidelity reported in the literature. To validate the performance of the digital-analog encoding, we tackle the maximum independent set problem, showing that it requires fewer resources compared to the digital case. This hybrid co-design approach paves the way towards quantum advantage for efficient solutions of quantum optimization problems.

Efficient DCQO Algorithm within the Impulse Regime for Portfolio Optimization

Alejandro Gomez Cadavid [1], Iraitz Montalban [1,2], Archismita Dalal [1], Enrique Solano [1], Narendra N. Hegade [1]

Abstract

We propose a faster digital quantum algorithm for portfolio optimization using the digitized-counterdiabatic quantum optimization (DCQO) paradigm in the impulse regime, that is, where the counterdiabatic terms are dominant. Our approach notably reduces the circuit depth requirement of the algorithm and enhances the solution accuracy, making it suitable for current quantum processors. We apply this protocol to a real-case scenario of portfolio optimization with 20 assets, using purely quantum and hybrid classical-quantum paradigms. We experimentally demonstrate the advantages of our protocol using up to 20 qubits on an IonQ trapped-ion quantum computer. By benchmarking our method against the standard quantum approximate optimization algorithm and finite-time digitized-adiabatic algorithms, we obtain a significant reduction in the circuit depth by factors of 2.5 to 40, while minimizing the dependence on the classical optimization subroutine. Besides portfolio optimization, the proposed method is applicable to a large class of combinatorial optimization problems.