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1. Provably efficient machine learning for quantum many-body problems

   https://doi.org/10.1126/science.abk3333  

   Huang, Hsin-Yuan ; Kueng, Richard ; Torlai, Giacomo ; Albert, Victor V. ; Preskill, John ( September 2022 , Science)

   INTRODUCTION Solving quantum many-body problems, such as finding ground states of quantum systems, has far-reaching consequences for physics, materials science, and chemistry. Classical computers have facilitated many profound advances in science and technology, but they often struggle to solve such problems. Scalable, fault-tolerant quantum computers will be able to solve a broad array of quantum problems but are unlikely to be available for years to come. Meanwhile, how can we best exploit our powerful classical computers to advance our understanding of complex quantum systems? Recently, classical machine learning (ML) techniques have been adapted to investigate problems in quantum many-body physics. So far, these approaches are mostly heuristic, reflecting the general paucity of rigorous theory in ML. Although they have been shown to be effective in some intermediate-size experiments, these methods are generally not backed by convincing theoretical arguments to ensure good performance. RATIONALE A central question is whether classical ML algorithms can provably outperform non-ML algorithms in challenging quantum many-body problems. We provide a concrete answer by devising and analyzing classical ML algorithms for predicting the properties of ground states of quantum systems. We prove that these ML algorithms can efficiently and accurately predict ground-state properties of gapped local Hamiltonians, after learning from data obtained by measuring other ground states in the same quantum phase of matter. Furthermore, under a widely accepted complexity-theoretic conjecture, we prove that no efficient classical algorithm that does not learn from data can achieve the same prediction guarantee. By generalizing from experimental data, ML algorithms can solve quantum many-body problems that could not be solved efficiently without access to experimental data. RESULTS We consider a family of gapped local quantum Hamiltonians, where the Hamiltonian H ( x ) depends smoothly on m parameters (denoted by x ). The ML algorithm learns from a set of training data consisting of sampled values of x , each accompanied by a classical representation of the ground state of H ( x ). These training data could be obtained from either classical simulations or quantum experiments. During the prediction phase, the ML algorithm predicts a classical representation of ground states for Hamiltonians different from those in the training data; ground-state properties can then be estimated using the predicted classical representation. Specifically, our classical ML algorithm predicts expectation values of products of local observables in the ground state, with a small error when averaged over the value of x . The run time of the algorithm and the amount of training data required both scale polynomially in m and linearly in the size of the quantum system. Our proof of this result builds on recent developments in quantum information theory, computational learning theory, and condensed matter theory. Furthermore, under the widely accepted conjecture that nondeterministic polynomial-time (NP)–complete problems cannot be solved in randomized polynomial time, we prove that no polynomial-time classical algorithm that does not learn from data can match the prediction performance achieved by the ML algorithm. In a related contribution using similar proof techniques, we show that classical ML algorithms can efficiently learn how to classify quantum phases of matter. In this scenario, the training data consist of classical representations of quantum states, where each state carries a label indicating whether it belongs to phase A or phase B . The ML algorithm then predicts the phase label for quantum states that were not encountered during training. The classical ML algorithm not only classifies phases accurately, but also constructs an explicit classifying function. Numerical experiments verify that our proposed ML algorithms work well in a variety of scenarios, including Rydberg atom systems, two-dimensional random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases. CONCLUSION We have rigorously established that classical ML algorithms, informed by data collected in physical experiments, can effectively address some quantum many-body problems. These rigorous results boost our hopes that classical ML trained on experimental data can solve practical problems in chemistry and materials science that would be too hard to solve using classical processing alone. Our arguments build on the concept of a succinct classical representation of quantum states derived from randomized Pauli measurements. Although some quantum devices lack the local control needed to perform such measurements, we expect that other classical representations could be exploited by classical ML with similarly powerful results. How can we make use of accessible measurement data to predict properties reliably? Answering such questions will expand the reach of near-term quantum platforms. Classical algorithms for quantum many-body problems. Classical ML algorithms learn from training data, obtained from either classical simulations or quantum experiments. Then, the ML algorithm produces a classical representation for the ground state of a physical system that was not encountered during training. Classical algorithms that do not learn from data may require substantially longer computation time to achieve the same task. 

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2. Efficient Algorithms for Least Square Piecewise Polynomial Regression

   Lokshtanov, Daniel ; Suri, Subhash ; Xue, Jie ( September 2021 , ESA21: Proceedings of European Symposium on Algorithms)

   null (Ed.)

   We present approximation and exact algorithms for piecewise regression of univariate and bivariate data using fixed-degree polynomials. Specifically, given a set S of n data points (x1, y1), . . . , (xn, yn) ∈ Rd × R where d ∈ {1, 2}, the goal is to segment xi’s into some (arbitrary) number of disjoint pieces P1, . . . , Pk, where each piece Pj is associated with a fixed-degree polynomial fj : Rd → R, to minimize the total loss function λk+􏰄ni=1(yi −f(xi))2, where λ ≥ 0 is a regularization term that penalizes model complexity (number of pieces) and f : 􏰇kj=1 Pj → R is the piecewise polynomial function defined as f|Pj = fj. The pieces P1,...,Pk are disjoint intervals of R in the case of univariate data and disjoint axis-aligned rectangles in the case of bivariate data. Our error approximation allows use of any fixed-degree polynomial, not just linear functions. Our main results are the following. For univariate data, we present a (1 + ε)-approximation algorithm with time complexity O(nε log1ε), assuming that data is presented in sorted order of xi’s. For bivariate data, we √ present three results: a sub-exponential exact algorithm with running time nO( n); a polynomial-time constant- approximation algorithm; and a quasi-polynomial time approximation scheme (QPTAS). The bivariate case is believed to be NP-hard in the folklore but we could not find a published record in the literature, so in this paper we also present a hardness proof for completeness. 

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3. On the Cryptographic Hardness of Learning Single Periodic Neurons

   Min Jae Song ; Ilias Zadik ; Joan Bruna ( December 2021 , Advances in neural information processing systems)

   We show a simple reduction which demonstrates the cryptographic hardness of learning a single periodic neuron over isotropic Gaussian distributions in the pres- ence of noise. More precisely, our reduction shows that any polynomial-time algorithm (not necessarily gradient-based) for learning such functions under small noise implies a polynomial-time quantum algorithm for solving worst-case lattice problems, whose hardness form the foundation of lattice-based cryptography. Our core hard family of functions, which are well-approximated by one-layer neural networks, take the general form of a univariate periodic function applied to an affine projection of the data. These functions have appeared in previous seminal works which demonstrate their hardness against gradient-based (Shamir’18), and Statisti- cal Query (SQ) algorithms (Song et al.’17). We show that if (polynomially) small noise is added to the labels, the intractability of learning these functions applies to all polynomial-time algorithms, beyond gradient-based and SQ algorithms, under the aforementioned cryptographic assumptions. Moreover, we demonstrate the necessity of noise in the hardness result by designing a polynomial-time algorithm for learning certain families of such functions under exponentially small adversarial noise. Our proposed algorithm is not a gradient-based or an SQ algorithm, but is rather based on the celebrated Lenstra-Lenstra-Lovász (LLL) lattice basis reduction algorithm. Furthermore, in the absence of noise, this algorithm can be directly applied to solve CLWE detection (Bruna et al.’21) and phase retrieval with an optimal sample complexity of d + 1 samples. In the former case, this improves upon the quadratic-in-d sample complexity required in (Bruna et al.’21). 

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4. On the Cryptographic Hardness of Learning Single Periodic Neurons

   Song, Min Jae ; Zadik, Ilias ; Bruna, Joan ( December 2021 , Advances in neural information processing systems)

   null (Ed.)

   Abstract We show a simple reduction which demonstrates the cryptographic hardness of learning a single periodic neuron over isotropic Gaussian distributions in the presence of noise. More precisely, our reduction shows that any polynomial-time algorithm (not necessarily gradientbased) for learning such functions under small noise implies a polynomial-time quantum algorithm for solving worst-case lattice problems, whose hardness form the foundation of lattice-based cryptography. Our core hard family of functions, which are well-approximated by one-layer neural networks, take the general form of a univariate periodic function applied to an affine projection of the data. These functions have appeared in previous seminal works which demonstrate their hardness against gradient-based (Shamir’18), and Statistical Query (SQ) algorithms (Song et al.’17). We show that if (polynomially) small noise is added to the labels, the intractability of learning these functions applies to all polynomial-time algorithms, beyond gradient-based and SQ algorithms, under the aforementioned cryptographic assumptions. Moreover, we demonstrate the necessity of noise in the hardness result by designing a polynomial-time algorithm for learning certain families of such functions under exponentially small adversarial noise. Our proposed algorithm is not a gradient-based or an SQ algorithm, but is rather based on the celebrated Lenstra-Lenstra-Lovász (LLL) lattice basis reduction algorithm. Furthermore, in the absence of noise, this algorithm can be directly applied to solve CLWE detection (Bruna et al.’21) and phase retrieval with an optimal sample complexity of d + 1 samples. In the former case, this improves upon the quadratic-in-d sample complexity required in (Bruna et al.’21). 

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5. Multi-Criteria Dimensionality Reduction with Applications to Fairness

   Tantipongpipat, Uthaipon and ( December 2019 , Advances in Neural Information Processing Systems 32 (NeurIPS 2019))

   Dimensionality reduction is a classical technique widely used for data analysis. One foundational instantiation is Principal Component Analysis (PCA), which minimizes the average reconstruction error. In this paper, we introduce the multi-criteria dimensionality reduction problem where we are given multiple objectives that need to be optimized simultaneously. As an application, our model captures several fairness criteria for dimensionality reduction such as the Fair-PCA problem introduced by Samadi et al. [NeurIPS18] and the Nash Social Welfare (NSW) problem. In the Fair-PCA problem, the input data is divided into k groups, and the goal is to find a single d-dimensional representation for all groups for which the maximum reconstruction error of any one group is minimized. In NSW the goal is to maximize the product of the individual variances of the groups achieved by the common low-dimensinal space. Our main result is an exact polynomial-time algorithm for the two-criteria dimensionality reduction problem when the two criteria are increasing concave functions. As an application of this result, we obtain a polynomial time algorithm for Fair-PCA for k=2 groups, resolving an open problem of Samadi et al.[NeurIPS18], and a polynomial time algorithm for NSW objective for k=2 groups. We also give approximation algorithms for k>2. Our technical contribution in the above results is to prove new low-rank properties of extreme point solutions to semi-definite programs. We conclude with the results of several experiments indicating improved performance and generalized application of our algorithm on real-world datasets. 

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