- Open Access
Predicting Adaptively Chosen Observables in Quantum Systems
PRX Quantum 7, 010347 – Published 9 March, 2026
DOI: https://doi.org/10.1103/xhn1-vnp9
Abstract
Recent advances have demonstrated that measurements suffice to predict properties of arbitrarily large quantum many-body systems. However, these remarkable findings assume that the properties to be predicted are chosen independently of the data. This assumption can be violated in practice, where scientists adaptively select properties after looking at previous predictions. This work investigates the adaptive setting for three classes of observables: local, Pauli, and bounded-Frobenius-norm observables. We prove that samples of an arbitrarily large unknown quantum state are necessary to predict expectation values of adaptively chosen local and Pauli observables, where the system size scales exponentially and polynomially in , respectively. We also present computationally efficient algorithms that achieve this information-theoretic lower bound. In contrast, for bounded-Frobenius-norm observables, we devise an algorithm requiring only samples, independent of system size. These results highlight the potential pitfalls of adaptivity in analyzing data from quantum experiments and provide algorithmic tools to safeguard against erroneous predictions in quantum experiments.
Physics Subject Headings (PhySH)
Popular Summary
Learning properties of quantum systems from experimental data constitutes a fundamental pillar of quantum information science. Recent breakthroughs have shown that one can accurately predict many properties of a quantum state using surprisingly few measurements—only growing logarithmically with the number of properties. These results raise the hope that large quantum systems can be efficiently characterized using minimal quantum data.
However, these guarantees crucially depend on the assumption that properties are chosen nonadaptively—a constraint that stands in tension with the inherently adaptive nature of scientific inquiry, where hypotheses are often tested and revised. Our work shows that adaptivity can in fact undermine these guarantees. For two key classes of quantum measurements—local and Pauli observables—we prove that the number of required measurements scales polynomially with the number of properties, much larger than the logarithmic scaling in the nonadaptive case. We also design algorithms that achieve this optimal scaling, showing that the limit is fundamental. In contrast, for a third physically relevant class of measurements (bounded-Frobenius-norm observables), we show only a logarithmic number of samples are required, recovering the original efficiency.
Our results reveal that adaptivity, while essential for science, can undermine the statistical reliability of quantum predictions. We also provide algorithms that protect against these pitfalls. Our findings pave the way toward identifying conditions under which quantum data can be reused and developing robust, efficient quantum algorithms for scientific discovery.
Article Text
References (93)
- Konrad Banaszek, Marcus Cramer, and David Gross, Focus on quantum tomography, New J. Phys. 15, 125020 (2013).
- Robin Blume-Kohout, Optimal, reliable estimation of quantum states, New J. Phys. 12, 043034 (2010).
- David Gross, Yi-Kai Liu, Steven T. Flammia, Stephen Becker, and Jens Eisert, Quantum state tomography via compressed sensing, Phys. Rev. Lett. 105, 150401 (2010).
- Zdenek Hradil., Quantum-state estimation, Phys. Rev. A 55, R1561 (1997).
- Jeongwan Haah, Aram W. Harrow, Zhengfeng Ji, Xiaodi Wu, and Nengkun Yu, Sample-optimal tomography of quantum states, IEEE Trans. Inf. Theory 63, 5628 (2017).
- Ryan O’Donnell and John Wright, in Proceedings of the Forty-Eighth Annual ACM Symposium on Theory of Computing (Association for Computing Machinery, New York, NY, USA, 2016), p. 899.
- Scott Aaronson, in STOC (Association for Computing Machinery, New York, NY, USA, 2018), p. 325.
- Hsin-Yuan Huang, Richard Kueng, and John Preskill, Predicting many properties of a quantum system from very few measurements, Nat. Phys. 16, 1050 (2020).
- Marco Paini and Amir Kalev, An approximate description of quantum states, arXiv:1910.10543.
- Jordan Cotler, Soonwon Choi, Alexander Lukin, Hrant Gharibyan, Tarun Grover, M. Eric Tai, Matthew Rispoli, Robert Schittko, Philipp M. Preiss, Adam M. Kaufman et al., Quantum virtual cooling, Phys. Rev. X 9, 031013 (2019).
- Andreas Elben, Steven T. Flammia, Hsin-Yuan Huang, Richard Kueng, John Preskill, Benoît Vermersch, and Peter Zoller, The randomized measurement toolbox, Nat. Rev. Phys. 5, 9 (2023).
- The sample complexity applies when the observables have a shadow norm independent of , which is true for many classes of physically relevant observables.
- Scott Aaronson and Guy N. Rothblum, in STOC (Association for Computing Machinery, New York, NY, USA, 2019), p. 322.
- Costin Bădescu and Ryan O’Donnell, Improved quantum data analysis, in Proceedings of the 53rd Annual ACM SIGACT Symposium on Theory of Computing (2021), pp. 1398–1411.
- Cynthia Dwork, Vitaly Feldman, Moritz Hardt, Toniann Pitassi, Omer Reingold, and Aaron Leon Roth, in Proceedings of the Forty-Seventh Annual ACM Symposium on Theory of Computing (Association for Computing Machinery, New York, NY, USA, 2015), p. 117.
- Cynthia Dwork, Vitaly Feldman, Moritz Hardt, Toniann Pitassi, Omer Reingold, and Aaron Roth, Generalization in adaptive data analysis and holdout reuse, Adv. Neural Inf. Process. Syst. (2015).
- Raef Bassily, Kobbi Nissim, Adam Smith, Thomas Steinke, Uri Stemmer, and Jonathan Ullman, Algorithmic stability for adaptive data analysis, in Proceedings of the forty-eighth annual ACM symposium on Theory of Computing (2016), pp. 1046–1059.
- Daniel Russo and James Zou, in Proceedings of the 19th International Conference on Artificial Intelligence and Statistics, Proceedings of Machine Learning Research, edited by Arthur Gretton and Christian C. Robert (PMLR, Cadiz, Spain, 2016), Vol. 51, p. 1232.
- Vitaly Feldman and Thomas Steinke, Generalization for adaptively chosen estimators via stable median, in Conference on learning theory (PMLR, 2017), pp. 728–757.
- Vitaly Feldman and Thomas Steinke, Calibrating noise to variance in adaptive data analysis, in Conference On Learning Theory (PMLR, 2018), pp. 535–544.
- Christopher Jung, Katrina Ligett, Seth Neel, Aaron Roth, Saeed Sharifi-Malvajerdi, and Moshe Shenfeld, A new analysis of differential privacy’s generalization guarantees, in Proceedings of the 53rd Annual ACM SIGACT Symposium on Theory of Computing (2021), pp. 9-9.
- Arun Ganesh and Jiazheng Zhao, Privately answering counting queries with generalized Gaussian mechanisms, in 2nd Symposium on Foundations of Responsible Computing (LIPIcs, 2021), Vol. 192, pp. 1:1–1:18.
- Yuval Dagan and Gil Kur, A bounded-noise mechanism for differential privacy, in Proceedings of the 35th Conference on Learning Theory (PMLR, 2022), Vol. 178, pp. 625–661.
- Badih Ghazi, Ravi Kumar, and Pasin Manurangsi, On avoiding the union bound when answering multiple differentially private queries, in Proceedings of the 34th Conference on Learning Theory (PMLR, 2021), Vol. 134, pp. 2133–2146.
- Guy Blanc, Subsampling suffices for adaptive data analysis, in Proceedings of the 55th Annual ACM Symposium on Theory of Computing (2023), pp. 999–1012.
- John P. A. Ioannidis, Contradicted and initially stronger effects in highly cited clinical research, Jama 294, 218 (2005).
- John P. A. Ioannidis, Why most published research findings are false, PLoS Med. 2, e124 (2005).
- Florian Prinz, Thomas Schlange, and Khusru Asadullah, Believe it or not: How much can we rely on published data on potential drug targets? Nat. Rev. Drug Discov. 10, 712 (2011).
- C. Glenn Begley and Lee M. Ellis, Raise standards for preclinical cancer research, Nature 483, 531 (2012).
- Andrew Gelman and Eric Loken, in The Best Writing on Mathematics, edited by M. Pitici (Sigma Xi, The Scientific Research Society, Research Triangle Park, NC, USA, 2016), p. 305.
- Moritz Hardt and Guy N. Rothblum, in 2010 IEEE 51st Annual Symposium on Foundations of Computer Science (IEEE, New York, NY, USA, 2010), p. 61.
- Thomas Steinke and Jonathan Ullman, Interactive fingerprinting codes and the hardness of preventing false discovery, in Proceedings of the 28th Conference on Learning Theory (PMLR, 2015), Vol. 40, pp. 1588–1628.
- Alberto Peruzzo, Jarrod McClean, Peter Shadbolt, Man-Hong Yung, Xiao-Qi Zhou, Peter J. Love, Alán Aspuru-Guzik, and Jeremy L. O’brien, A variational eigenvalue solver on a photonic quantum processor, Nat. Commun. 5, 4213 (2014).
- Ophelia Crawford, Barnaby van Straaten, D. Wang, T. Parks, E. Campbell, and S. Brierley, Efficient quantum measurement of Pauli operators in the presence of finite sampling error, Quantum 5, 385 (2021).
- William J. Huggins, Jarrod McClean, Nicholas Rubin, Zhang Jiang, Nathan Wiebe, K. Birgitta Whaley, and Ryan Babbush, Efficient and noise resilient measurements for quantum chemistry on near-term quantum computers, npj Quantum Inf. 7, 23 (2021).
- Artur F. Izmaylov, Tzu-Ching Yen, Robert A. Lang, and Vladyslav Verteletskyi, Unitary partitioning approach to the measurement problem in the variational quantum eigensolver method, J. Chem. Theory Comput. 16, 190 (2019).
- Abhinav Kandala, Antonio Mezzacapo, Kristan Temme, Maika Takita, Markus Brink, Jerry M. Chow, and Jay M. Gambetta, Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets, Nature 549, 242 (2017).
- Christian Kokail, Christine Maier, Rick van Bijnen, Tiff Brydges, Manoj K. Joshi, Petar Jurcevic, Christine A. Muschik, Pietro Silvi, Rainer Blatt, Christian F. Roos et al., Self-verifying variational quantum simulation of lattice models, Nature 569, 355 (2019).
- Hsin-Yuan Huang, Kishor Bharti, and Patrick Rebentrost, Near-term quantum algorithms for linear systems of equations with regression loss functions, New J. Phys. 23, 113021 (2021).
- Steven T. Flammia and Yi-Kai Liu, Direct fidelity estimation from few Pauli measurements, Phys. Rev. Lett. 106, 230501 (2011).
- Marcus P. da Silva, Olivier Landon-Cardinal, and David Poulin, Practical characterization of quantum devices without tomography, Phys. Rev. Lett. 107, 210404 (2011).
- Otfried Gühne and Géza Tóth, Entanglement detection, Phys. Rep. 474, 1 (2009).
- Andreas Elben, Richard Kueng, Hsin-Yuan R. Huang, Rick van Bijnen, Christian Kokail, Marcello Dalmonte, Pasquale Calabrese, Barbara Kraus, John Preskill, Peter Zoller, and Benoît Vermersch, Mixed-state entanglement from local randomized measurements, Phys. Rev. Lett. 125, 200501 (2020).
- David A. Freedman and David A. Freedman, A note on screening regression equations, Am. Stat. 37, 152 (1983).
- Moritz Hardt and Jonathan Ullman, in 2014 IEEE 55th Annual Symposium on Foundations of Computer Science (IEEE, New York, NY, USA, 2014), p. 454.
- Amos Fiat and Tamir Tassa, Dynamic traitor tracing, J. Cryptol. 14, 211 (2001).
- Hsin-Yuan Huang, Richard Kueng, and John Preskill, Information-theoretic bounds on quantum advantage in machine learning, Phys. Rev. Lett. 126, 190505 (2021).
- Threshold search, introduced as “secret acceptor” in Ref. [88], aims to identify whether for some or for all , given , observables , and thresholds .
- Fernando GSL Brandão, Amir Kalev, Tongyang Li, Cedric Yen-Yu Lin, Krysta M. Svore, and Xiaodi Wu, in ICALP (Schloss Dagstuhl – Leibniz-Zentrum für Informatik, Dagstuhl, Germany, 2019).
- Joran van Apeldoorn, Andrá S. Gilyén, Sander Gribling, and Ronald de Wolf, Quantum SDP-solvers: Better upper and lower bounds, Quantum 4, 230 (2020).
- For local observables, , while for Pauli observables, .
- Cynthia Dwork, Moni Naor, Omer Reingold, Guy N. Rothblum, and Salil Vadhan, in Proceedings of the Forty-First Annual ACM Symposium on Theory of Computing, STOC ’09 (Association for Computing Machinery, New York, NY, USA, 2009), p. 381.
- Richard Kueng and Hsin-Yuan Huang, Shadow tomography with independent uniform POVM measurements (unpublished, private communication).
- Online learning refers to a setting where one is tasked to answer a series of (potentially adversarial) requests in a sequential fashion while minimizing error/loss. This is similar to our setting, where we must predict expectation values for a sequence of observables.
- Scott Aaronson, Xinyi Chen, Elad Hazan, Satyen Kale, and Ashwin Nayak, Online learning of quantum states, Adv. Neural Inf. Process. Syst. 31, 8962 (2018).
- To be precise, we are running a (low-dimensional) shadow tomography algorithm as a subroutine within our overall shadow tomography algorithm for bounded Frobenius-norm observables. The low-dimensional subroutine itself contains a teacher and student iteratively interacting to learn , and mistake declarations by this second teacher directly cause the student to update .
- Jerry Huang, Laura Lewis, Hsin-Yuan Huang, and John Preskill, Figure data for predicting adaptively chosen observables in quantum systems, Zenodo, 2026, https://doi.org/10.5281/zenodo.18451308.
- D. Boneh and J. Shaw, Collusion-secure fingerprinting for digital data, IEEE Trans. Inf. Theory 44, 1897 (1998).
- Michael Kearns, Efficient noise-tolerant learning from statistical queries, J. ACM (JACM) 45, 983 (1998).
- Vitaly Feldman, Elena Grigorescu, Lev Reyzin, Santosh S. Vempala, and Ying Xiao, Statistical algorithms and a lower bound for detecting planted cliques, J. ACM (JACM) 64, 1 (2017).
- Aaron Roth and Adam Smith, The algorithmic foundations of adaptive data analysis, Lecture notes (2017), https://adaptivedataanalysis.com.
- Senrui Chen, Wenjun Yu, Pei Zeng, and Steven T. Flammia, Robust shadow estimation, PRX Quantum 2, 030348 (2021).
- Jordan S. Cotler and Frank Wilczek, Quantum overlapping tomography, Phys. Rev. Lett. 124, 100401 (2020).
- Tim J. Evans, Robin Harper, and Steven T. Flammia, Scalable Bayesian Hamiltonian learning, arXiv:1912.07636.
- Hsin-Yuan Huang, Richard Kueng, and John Preskill, Efficient estimation of Pauli observables by derandomization, Phys. Rev. Lett. 127, 030503 (2021).
- Dax Enshan Koh and Sabee Grewal, Classical shadows with noise, Quantum 6, 776 (2022).
- Arkadij Semenovič Nemirovskij and David Borisovich Yudin, Problem complexity and method efficiency in optimization (Wiley-Interscience, New York, 1983).
- Mark R. Jerrum, Leslie G. Valiant, and Vijay V. Vazirani, Random generation of combinatorial structures from a uniform distribution, Theor. Comput. Sci. 43, 169 (1986).
- Scott Aaronson, in CCC (IEEE, New York, NY, USA, 2006), p. 13.
- Scott Aaronson, in Proceedings. 19th IEEE Annual Conference on Computational Complexity, 2004 (IEEE, New York, NY, USA, 2004), p. 320.
- Mark M. Wilde, Quantum Information Theory (Cambridge University, Cambridge, 2013), 2nd ed.
- Madalin Guţă, Jonas Kahn, Richard Kueng, and Joel A. Tropp, Fast state tomography with optimal error bounds, J. Phys. A: Math. Theor. 53, 204001 (2020).
- Alessandro Rinaldo, 36-710: Advanced Statistical Theory II, Lecture notes, Carnegie Mellon University (2019), https://www.stat.cmu.edu/∼arinaldo/Teaching/36710/F19/.
- Andrew J. Scott, Tight informationally complete quantum measurements, J. Phys. A: Math. Gen. 39, 13507 (2006).
- David Gross, Felix Krahmer, and Richard Kueng, A partial derandomization of phaselift using spherical designs, J. Fourier Anal. Appl. 21, 229 (2015).
- Antonio Anna Mele, Introduction to Haar measure tools in quantum information: A beginner’s tutorial, Quantum 8, 1340 (2024).
- Gábor Tardos, Optimal probabilistic fingerprint codes, J. ACM (JACM) 55, 1 (2008).
- Mark Bun, Jonathan Ullman, and Salil Vadhan, in Proceedings of the Forty-Sixth Annual ACM Symposium on Theory of Computing (Association for Computing Machinery, New York, NY, USA, 2014), p. 1.
- Jonathan Ullman, in Proceedings of the Forty-Fifth Annual ACM Symposium on Theory of Computing (Association for Computing Machinery, New York, NY, USA, 2013), p. 361.
- Tamir Tassa, Low bandwidth dynamic traitor tracing schemes, J. Cryptol. 18, 167 (2005).
- Thijs Laarhoven, Jeroen Doumen, Peter Roelse, Boris Škorić, and Benne de Weger, Dynamic Tardos traitor tracing schemes, IEEE Trans. Inf. Theory 59, 4230 (2013).
- Jonathan Katz and Yehuda Lindell, Introduction to Modern Cryptography: Principles and Protocols (Chapman and Hall/CRC, Boca Raton, FL, USA, 2007).
- Frank Miller, Telegraphic Code to Insure Privacy and Secrecy in the Transmission of Telegrams (CM Cornwell, New York, NY, USA, 1882).
- Claude E. Shannon, Communication theory of secrecy systems, Bell Syst. Tech. J. 28, 656 (1949).
- We remark that for local observables, the empirical mean can be used because the classical shadows output has a range bound in this case. However, the attack still works even if median of means is used.
- These qubits can actually be removed, but we include them for simplicity. They also do not affect the overall system size much.
- Note that in Appendix 6a, we consider statistical queries , but this setup is the same for scaled statistical queries .
- Scott Aaronson, The complexity of quantum states and transformations: From quantum money to black holes, arXiv:1607.05256.
- Hsin-Yuan Huang, Richard Kueng, Giacomo Torlai, Victor V. Albert, and John Preskill, Provably efficient machine learning for quantum many-body problems, Science 377, eabk3333 (2022).
- Frank McSherry and Kunal Talwar, in 48th Annual IEEE Symposium on Foundations of Computer Science (FOCS’07) (IEEE, New York, NY, USA, 2007), p. 94.
- Adam Smith, in Proceedings of the Forty-Third Annual ACM Symposium on Theory of Computing, STOC ’11 (Association for Computing Machinery, New York, NY, USA, 2011), p. 813.
- Vitaly Feldman, Dealing with range anxiety in mean estimation via statistical queries, in Proceedings of the 28th International Conference on Algorithmic Learning Theory (PMLR, 2017), Vol. 76, pp. 629–640.
- Cynthia Dwork and Aaron Roth, The algorithmic foundations of differential privacy, Found. Trends Theor. Comput. Sci. 9, 211 (2014).
