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On sampling determinantal and Pfaffian point processes on a quantum computer

arXiv.org Artificial Intelligence

DPPs were introduced by Macchi as a model in quantum optics the 1970s. Since then, they have been widely used as models and subsampling tools in statistics and computer science. Most applications require sampling from a DPP, and given their quantum origin, it is natural to wonder whether sampling a DPP on a quantum computer is easier than on a classical one. We focus here on DPPs over a finite state space, which are distributions over the subsets of $\{1,\dots,N\}$ parametrized by an $N\times N$ Hermitian kernel matrix. Vanilla sampling consists in two steps, of respective costs $\mathcal{O}(N^3)$ and $\mathcal{O}(Nr^2)$ operations on a classical computer, where $r$ is the rank of the kernel matrix. A large first part of the current paper consists in explaining why the state-of-the-art in quantum simulation of fermionic systems already yields quantum DPP sampling algorithms. We then modify existing quantum circuits, and discuss their insertion in a full DPP sampling pipeline that starts from practical kernel specifications. The bottom line is that, with $P$ (classical) parallel processors, we can divide the preprocessing cost by $P$ and build a quantum circuit with $\mathcal{O}(Nr)$ gates that sample a given DPP, with depth varying from $\mathcal{O}(N)$ to $\mathcal{O}(r\log N)$ depending on qubit-communication constraints on the target machine. We also connect existing work on the simulation of superconductors to Pfaffian point processes, which generalize DPPs and would be a natural addition to the machine learner's toolbox. In particular, we describe "projective" Pfaffian point processes, the cardinality of which has constant parity, almost surely. Finally, the circuits are empirically validated on a classical simulator and on 5-qubit IBM machines.


Efficient Numerical Integration in Reproducing Kernel Hilbert Spaces via Leverage Scores Sampling

arXiv.org Machine Learning

In this work we consider the problem of numerical integration, i.e., approximating integrals with respect to a target probability measure using only pointwise evaluations of the integrand. We focus on the setting in which the target distribution is only accessible through a set of $n$ i.i.d. observations, and the integrand belongs to a reproducing kernel Hilbert space. We propose an efficient procedure which exploits a small i.i.d. random subset of $m


Differentially Private Non-Convex Optimization under the KL Condition with Optimal Rates

arXiv.org Machine Learning

We study private empirical risk minimization (ERM) problem for losses satisfying the $(\gamma,\kappa)$-Kurdyka-{\L}ojasiewicz (KL) condition. The Polyak-{\L}ojasiewicz (PL) condition is a special case of this condition when $\kappa=2$. Specifically, we study this problem under the constraint of $\rho$ zero-concentrated differential privacy (zCDP). When $\kappa\in[1,2]$ and the loss function is Lipschitz and smooth over a sufficiently large region, we provide a new algorithm based on variance reduced gradient descent that achieves the rate $\tilde{O}\big(\big(\frac{\sqrt{d}}{n\sqrt{\rho}}\big)^\kappa\big)$ on the excess empirical risk, where $n$ is the dataset size and $d$ is the dimension. We further show that this rate is nearly optimal. When $\kappa \geq 2$ and the loss is instead Lipschitz and weakly convex, we show it is possible to achieve the rate $\tilde{O}\big(\big(\frac{\sqrt{d}}{n\sqrt{\rho}}\big)^\kappa\big)$ with a private implementation of the proximal point method. When the KL parameters are unknown, we provide a novel modification and analysis of the noisy gradient descent algorithm and show that this algorithm achieves a rate of $\tilde{O}\big(\big(\frac{\sqrt{d}}{n\sqrt{\rho}}\big)^{\frac{2\kappa}{4-\kappa}}\big)$ adaptively, which is nearly optimal when $\kappa = 2$. We further show that, without assuming the KL condition, the same gradient descent algorithm can achieve fast convergence to a stationary point when the gradient stays sufficiently large during the run of the algorithm. Specifically, we show that this algorithm can approximate stationary points of Lipschitz, smooth (and possibly nonconvex) objectives with rate as fast as $\tilde{O}\big(\frac{\sqrt{d}}{n\sqrt{\rho}}\big)$ and never worse than $\tilde{O}\big(\big(\frac{\sqrt{d}}{n\sqrt{\rho}}\big)^{1/2}\big)$. The latter rate matches the best known rate for methods that do not rely on variance reduction.


The neuroscience of the sports fanatic: MRI scans peek inside the minds of soccer fans - revealing where winning and losing lives in the brain

Daily Mail - Science & tech

Sports fans know that watching their team win releases a feeling of joy, but seeing them lose has the opposite effect - and these'feelings' can be seen in our brains. Researchers at the Clínica Alemana de Santiago in Chile scanned soccer fans' brains, finding the sight of their team scoring lit up the region associated with reward. When their team lost, a network of brain areas involved in mentalization became more active - signaling that they were trying to make sense of what just happened. In other words, we feel good when we watch our team score. And when we see our team's rivals score on them, we attempt to rationalize.


Multi-fidelity Bayesian Optimization in Engineering Design

arXiv.org Machine Learning

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.


IMJENSE: Scan-specific Implicit Representation for Joint Coil Sensitivity and Image Estimation in Parallel MRI

arXiv.org Artificial Intelligence

Parallel imaging is a commonly used technique to accelerate magnetic resonance imaging (MRI) data acquisition. Mathematically, parallel MRI reconstruction can be formulated as an inverse problem relating the sparsely sampled k-space measurements to the desired MRI image. Despite the success of many existing reconstruction algorithms, it remains a challenge to reliably reconstruct a high-quality image from highly reduced k-space measurements. Recently, implicit neural representation has emerged as a powerful paradigm to exploit the internal information and the physics of partially acquired data to generate the desired object. In this study, we introduced IMJENSE, a scan-specific implicit neural representation-based method for improving parallel MRI reconstruction. Specifically, the underlying MRI image and coil sensitivities were modeled as continuous functions of spatial coordinates, parameterized by neural networks and polynomials, respectively. The weights in the networks and coefficients in the polynomials were simultaneously learned directly from sparsely acquired k-space measurements, without fully sampled ground truth data for training. Benefiting from the powerful continuous representation and joint estimation of the MRI image and coil sensitivities, IMJENSE outperforms conventional image or k-space domain reconstruction algorithms. With extremely limited calibration data, IMJENSE is more stable than supervised calibrationless and calibration-based deep-learning methods. Results show that IMJENSE robustly reconstructs the images acquired at 5$\mathbf{\times}$ and 6$\mathbf{\times}$ accelerations with only 4 or 8 calibration lines in 2D Cartesian acquisitions, corresponding to 22.0% and 19.5% undersampling rates. The high-quality results and scanning specificity make the proposed method hold the potential for further accelerating the data acquisition of parallel MRI.


Computing Approximate $\ell_p$ Sensitivities

arXiv.org Machine Learning

Recent works in dimensionality reduction for regression tasks have introduced the notion of sensitivity, an estimate of the importance of a specific datapoint in a dataset, offering provable guarantees on the quality of the approximation after removing low-sensitivity datapoints via subsampling. However, fast algorithms for approximating $\ell_p$ sensitivities, which we show is equivalent to approximate $\ell_p$ regression, are known for only the $\ell_2$ setting, in which they are termed leverage scores. In this work, we provide efficient algorithms for approximating $\ell_p$ sensitivities and related summary statistics of a given matrix. In particular, for a given $n \times d$ matrix, we compute $\alpha$-approximation to its $\ell_1$ sensitivities at the cost of $O(n/\alpha)$ sensitivity computations. For estimating the total $\ell_p$ sensitivity (i.e. the sum of $\ell_p$ sensitivities), we provide an algorithm based on importance sampling of $\ell_p$ Lewis weights, which computes a constant factor approximation to the total sensitivity at the cost of roughly $O(\sqrt{d})$ sensitivity computations. Furthermore, we estimate the maximum $\ell_1$ sensitivity, up to a $\sqrt{d}$ factor, using $O(d)$ sensitivity computations. We generalize all these results to $\ell_p$ norms for $p > 1$. Lastly, we experimentally show that for a wide class of matrices in real-world datasets, the total sensitivity can be quickly approximated and is significantly smaller than the theoretical prediction, demonstrating that real-world datasets have low intrinsic effective dimensionality.


Newton-CG methods for nonconvex unconstrained optimization with H\"older continuous Hessian

arXiv.org Artificial Intelligence

In this paper we consider a nonconvex unconstrained optimization problem minimizing a twice differentiable objective function with H\"older continuous Hessian. Specifically, we first propose a Newton-conjugate gradient (Newton-CG) method for finding an approximate first-order stationary point (FOSP) of this problem, assuming the associated the H\"older parameters are explicitly known. Then we develop a parameter-free Newton-CG method without requiring any prior knowledge of these parameters. To the best of our knowledge, this method is the first parameter-free second-order method achieving the best-known iteration and operation complexity for finding an approximate FOSP of this problem. Furthermore, we propose a Newton-CG method for finding an approximate second-order stationary point (SOSP) of the considered problem with high probability and establish its iteration and operation complexity. Finally, we present preliminary numerical results to demonstrate the superior practical performance of our parameter-free Newton-CG method over a well-known regularized Newton method.


DMLR: Data-centric Machine Learning Research -- Past, Present and Future

arXiv.org Artificial Intelligence

Drawing from discussions at the inaugural DMLR workshop at ICML 2023 and meetings prior, in this report we outline the relevance of community engagement and infrastructure development for the creation of next-generation public datasets that will advance machine learning science. We chart a path forward as a collective effort to sustain the creation and maintenance of these datasets and methods towards positive scientific, societal and business impact.


deep-REMAP: Parameterization of Stellar Spectra Using Regularized Multi-Task Learning

arXiv.org Artificial Intelligence

Traditional spectral analysis methods are increasingly challenged by the exploding volumes of data produced by contemporary astronomical surveys. In response, we develop deep-Regularized Ensemble-based Multi-task Learning with Asymmetric Loss for Probabilistic Inference ($\rm{deep-REMAP}$), a novel framework that utilizes the rich synthetic spectra from the PHOENIX library and observational data from the MARVELS survey to accurately predict stellar atmospheric parameters. By harnessing advanced machine learning techniques, including multi-task learning and an innovative asymmetric loss function, $\rm{deep-REMAP}$ demonstrates superior predictive capabilities in determining effective temperature, surface gravity, and metallicity from observed spectra. Our results reveal the framework's effectiveness in extending to other stellar libraries and properties, paving the way for more sophisticated and automated techniques in stellar characterization.