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Proceedings of the 41st International Conference on Machine Learning

作者： Duy M. H. Nguyen Nina Lukashina Tai Nguyen An T. Le TrungTin Nguyen Nhat Ho Jan Peters Daniel Sonntag Viktor Zaverkin Mathias Niepert Department of Computer Science University of Stuttgart Germany and Max Planck Research School for Intelligent Systems (IMPRS-IS) and German Research Center for Artificial Intelligence (DFKI) Department of Computer Science University of Stuttgart Germany and Max Planck Research School for Intelligent Systems (IMPRS-IS) German Research Center for Artificial Intelligence (DFKI) Department of Computer Science Technische Universitat Darmstadt Germany School of Mathematics and Physics University of Queensland Australia Department of Statistics and Data Sciences University of Texas at Austin German Research Center for Artificial Intelligence (DFKI) and Department of Computer Science Technische Universitat Darmstadt Germany and Hessian.AI German Research Center for Artificial Intelligence (DFKI) and Department of Applied Artificial Intelligence Oldenburg University Germany NEC Laboratories Europe Department of Computer Science University of Stuttgart Germany and Max Planck Research School for Intelligent Systems (IMPRS-IS) and NEC Laboratories Europe

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and consists of its atom types and Cartesian coordinates. Every conformer has a potential energy, and the lower this energy, the more likely it occurs in nature. Most existing machine learning methods for molecular property prediction consider either 2D molecular graphs or 3D conformer structure representations in isolation. Inspired by recent work on using ensembles of conformers in conjunction with 2D graph representations, we propose E(3)-invariant molecular conformer aggregation networks. The method integrates a molecule's 2D representation with that of multiple of its conformers. Contrary to prior work, we propose a novel 2D-3D aggregation mechanism based on a differentiable solver for the Fused Gromov-Wasserstein Barycenter problem and the use of an efficient conformer generation method based on distance geometry. We show that the proposed aggregation mechanism is E(3) invariant and propose an efficient GPU implementation. Moreover, we demonstrate that the aggregation mechanism helps to significantly outperform state-of-the-art molecule property prediction methods on established datasets. Our implementation is available at this https://***/duyhominhnguyen/conan-fgw/tree/main.

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Weakly supervised image segmentation for defect-based grading of fresh produce

arXiv

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arXiv 2024年

作者： Knott, Manuel Odion, Divinefavour Sontakke, Sameer Karwa, Anup Defraeye, Thijs Empa Swiss Federal Laboratories for Materials Science and Technology Laboratory for Biomimetic Membranes and Textiles St. Gallen Switzerland Swiss Data Science Center ETH Zurich EPFL Zurich Switzerland Institute for Machine Learning Department of Computer Science ETH Zurich Switzerland Constructor University Bremen Campus Ring 1 Bremen28759 Germany Innoterra BioScience Private Limited Mumbai India

Implementing image-based machine learning in agriculture is often limited by scarce data and annotations, making it hard to achieve high-quality model predictions. This study tackles the issue of postharvest quality assessment of bananas in decentralized supply chains. We propose a method to detect and segment surface defects in banana images using panoptic segmentation to quantify defect size and number. Instead of time-consuming pixel-level annotations, we use weak supervision with coarse labels. A dataset of 476 smartphone images of bananas was collected under real-world field conditions and annotated for bruises and scars. Using the Segment Anything Model (SAM), a recently published foundation model for image segmentation, we generated dense annotations from coarse bounding boxes to train a segmentation model, significantly reducing manual effort while achieving a panoptic quality score of 77.6%. This demonstrates SAM's potential for low-effort, accurate segmentation in agricultural settings with limited data. © 2024, CC BY.

关键词： Fruits

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Nonlinear Power Flow Control design of high penetration renewable sources for AC inverter based microgrids

Nonlinear Power Flow Control design of high penetration rene...

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2016 International Symposium on Power Electronics, Electrical Drives, Automation and Motion, SPEEDAM 2016

作者： Wilson, David G. Robinett, Rush D. Weaver, Wayne W. Byrne, Raymond H. Young, Joseph Electrical Science and Experiments Department Sandia National Laboratories P.O. Box 5800 AlbuquerqueNM87185-1152 United States Mechanical Engineering-Engineering Mechanics Michigan Technological University R.L. Smith Bldg 903 1400 Townsend Drive HoughtonMI49931 United States Electrical and Computer Engineering Michigan Technological University 121 EERC Building 1400 Townsend Drive HoughtonMI49931-1295 United States Data Analysis and Exploitation Department Sandia National Laboratories P.O. Box 5800 AlbuquerqueNM87185-0576 United States OptimoJoe LLC P.O. Box 19053 AlbuquerqueNM87119 United States

ISBN: (纸本)9781509020676

This paper presents a control design methodology that begins to address high penetration of renewable energy sources into networked AC microgrid systems. To bring about high performing microgrid systems that contain large amounts of stochastic sources and loads is a major goal for the future of electric power systems. Alternative methods for controlling and analyzing AC microgrid systems will provide understanding into tradeoffs that can be made during the design phase. This paper utilizes a control design methodology, based on Hamiltonian Surface Shaping and Power Flow Control (HSSPFC) [1] that regulates renewable energy sources, loads and identifies energy storage requirements for an AC microgrid system. Both static and dynamic stability conditions are derived for the AC microgrid system. Numerical simulations are performed to demonstrate stability and performance. Two scenarios are considered;i) simple random stochastic renewable source and load AC Microgrid example and ii) a random variable pulse load application for Navy ship AC microgrid systems. © 2016 IEEE.

关键词： Stochastic systems

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Experimental demonstration of a high-fidelity virtual two-qubit gate

arXiv

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arXiv 2023年

作者： Singh, Akhil Pratap Mitarai, Kosuke Suzuki, Yasunari Heya, Kentaro Tabuchi, Yutaka Fujii, Keisuke Nakamura, Yasunobu Department of Applied Physics Graduate School of Engineering The University of Tokyo Bunkyo-ku Tokyo113-8656 Japan Graduate School of Engineering Science Osaka University 1-3 Machikaneyama Toyonaka Osaka560-8531 Japan NTT Computer and Data Science Laboratories NTT Corporation Musashino180-8585 Japan Saitama Wako351-0198 Japan

We experimentally demonstrate a virtual two-qubit gate and characterize it using quantum process tomography (QPT). The virtual two-qubit gate decomposes an actual two-qubit gate into single-qubit unitary gates and projection gates in quantum circuits for expectation-value estimation. We implement projection gates via mid-circuit measurements. The deterministic sampling scheme reduces the number of experimental circuit evaluations required for decomposing a virtual two-qubit gate. We also apply quantum error mitigation to suppress the effect of measurement errors and improve the average gate fidelity of a virtual controlled-Z (CZ) gate to fav = 0.9938 ± 0.0002. Our results highlight a practical approach to implement virtual two-qubit gates with high fidelities, which are useful for simulating quantum circuits using fewer qubits and implementing two-qubit gates on a distant pair of qubits. Copyright © 2023, The Authors. All rights reserved.

关键词： Qubits

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Exploring choice overload in related-article recommendations in digital libraries

arXiv

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arXiv 2017年

作者： Beierle, Felix Aizawa, Akiko Beel, Joeran Service-centric Networking Technische Universität Berlin Telekom Innovation Laboratories Berlin Germany Digital Content and Media Sciences Research Division Tokyo Japan Trinity College Dublin School of Computer Science and Statistics Intelligent Systems Discipline Knowledge and Data Engineering Group ADAPT Centre Dublin Ireland

We investigate the problem of choice overload – the difficulty of making a decision when faced with many options – when displaying related-article recommendations in digital libraries. So far, research regarding to how many items should be displayed has mostly been done in the fields of media recommendations and search engines. We analyze the number of recommendations in current digital libraries. When browsing fullscreen with a laptop or desktop PC, all display a fixed number of recommendations. 72% display three, four, or five recommendations, none display more than ten. We provide results from an empirical evaluation conducted with GESIS’ digital library Sowiport, with recommendations delivered by recommendations-as-a-service provider Mr. DLib. We use click-through rate as a measure of recommendation effectiveness based on 3.4 million delivered recommendations. Our results show lower click-through rates for higher numbers of recommendations and twice as many clicked recommendations when displaying ten instead of one related-articles. Our results indicate that users might quickly feel overloaded by choice. Copyright © 2017, The Authors. All rights reserved.

关键词： Digital libraries

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Boltzmann machine learning with a variational quantum algorithm

arXiv

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arXiv 2020年

作者： Shingu, Yuta Seki, Yuya Watabe, Shohei Endo, Suguru Matsuzaki, Yuichiro Kawabata, Shiro Nikuni, Tetsuro Hakoshima, Hideaki Department of Physics Faculty of Science Division I Tokyo University of Science Shinjuku Tokyo162-8601 Japan 1-1-1 Umezono Ibaraki Tsukuba305-8568 Japan Department of Materials University of Oxford Parks Road OxfordOX1 3PH United Kingdom NTT Computer Data Science Laboratories NTT Corporation Musashino Tokyo180-8585 Japan

A Boltzmann machine is a powerful tool for modeling probability distributions that govern the training data. A thermal equilibrium state is typically used for the Boltzmann machine learning to obtain a suitable probability distribution. The Boltzmann machine learning consists of calculating the gradient of the loss function given in terms of the thermal average, which is the most time consuming procedure. Here, we propose a method to implement the Boltzmann machine learning by using Noisy Intermediate-Scale Quantum (NISQ) devices. We prepare an initial pure state that contains all possible computational basis states with the same amplitude, and apply a variational imaginary time simulation. Readout of the state after the evolution in the computational basis approximates the probability distribution of the thermal equilibrium state that is used for the Boltzmann machine learning. We perform the numerical simulations of our scheme and confirm that the Boltzmann machine learning works well. Our scheme leads to a significant step toward an efficient machine learning using quantum hardware. Copyright © 2020, The Authors. All rights reserved.

关键词： Probability distributions

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Fundamental limits of quantum error mitigation

arXiv

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arXiv 2021年

作者： Takagi, Ryuji Endo, Suguru Minagawa, Shintaro Gu, Mile Nanyang Quantum Hub School of Physical and Mathematical Sciences Nanyang Technological University 637371 Singapore NTT Computer and Data Science Laboratories NTT Corporation Musashino Tokyo180-8585 Japan Graduate School of Informatics Nagoya University Chikusa-ku Nagoya464-8601 Japan Centre for Quantum Technologies National University of Singapore 3 Science Drive 2 117543 Singapore

The inevitable accumulation of errors in near-future quantum devices represents a key obstacle in delivering practical quantum advantages, motivating the development of various quantum error-mitigation methods. Here, we derive fundamental bounds concerning how error-mitigation algorithms can reduce the computation error as a function of their sampling overhead. Our bounds place universal performance limits on a general error-mitigation protocol class. We use them to show (1) that the sampling overhead that ensures a certain computational accuracy for mitigating local depolarizing noise in layered circuits scales exponentially with the circuit depth for general error-mitigation protocols and (2) the optimality of probabilistic error cancellation among a wide class of strategies in mitigating the local dephasing noise on an arbitrary number of qubits. Our results provide a means to identify when a given quantum error-mitigation strategy is optimal and when there is potential room for improvement. © 2021, CC BY.

关键词： Quantum noise

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Unitary-transformed projective squeezing: applications for circuit-knitting and state-preparation of non-Gaussian states

arXiv

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arXiv 2024年

作者： Anai, Keitaro Suzuki, Yasunari Tokunaga, Yuuki Matsuzaki, Yuichiro Takeda, Shuntaro Endo, Suguru Department of Applied Physics University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Japan NTT Computer and Data Science Laboratories NTT Corporation Musashino Tokyo180-8585 Japan Department of Electrical Electronic and Communication Engineering Faculty of Science and Engineering Chuo University 1-13-27 Kasuga Bunkyo-ku Tokyo112-8551 Japan

Continuous-variable (CV) quantum computing is a promising candidate for quantum computation because it can utilize infinite-dimensional Hilbert space even with one mode and efficiently handle continuous values. Although the photonic platforms have been considered as a leading platform for CV computation, hybrid systems comprising qubits and bosonic modes, e.g., superconducting hardware, have shown significant developments because they can prepare non-Gaussian state by utilizing the nonlinear interaction between the qubits and the bosonic modes. However, the experimentally realizable size of hybrid hardware is currently restricted. Moreover, the fidelity of the non-Gaussian state is still limited. In this work, by developing the projective squeezing method, we establish the formalism for projecting quantum states onto the states that are unitary-transformed from the squeezed vacuum at the expense of the sampling cost. Based on this formalism, we propose methods for simulating larger quantum devices and projecting the state onto one of the typical non-Gaussian states, the cubic phase state, with a higher squeezing level and higher nonlinearity. For practical implementation, we can apply the smeared projector either by linear-combination-of-unitaries or virtual quantum error detection algorithms by leveraging the interactions in hybrid systems of qubits and bosonic modes. We numerically verify the performance of our methods and also show that the effect of photon-loss errors can be suppressed due to projection. Copyright © 2024, The Authors. All rights reserved.

关键词： Qubits

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Efficient Simulation of Leakage Errors in Quantum Error Correcting Codes Using Tensor Network Methods

arXiv

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arXiv 2023年

作者： Manabe, Hidetaka Suzuki, Yasunari Darmawan, Andrew S. Graduate School of Engineering Science Osaka University 1-3 Machikaneyama Toyonaka Osaka560-8531 Japan NTT Computer and Data Science Laboratories NTT Corporation Musashino180-8585 Japan JST PRESTO 4-1-8 Honcho Saitama Kawaguchi332-0012 Japan Kyoto University Kitashirakawa Oiwakecho Sakyo-ku Kyoto606-8502 Japan

Leakage errors, in which a qubit is excited to a level outside the qubit subspace, represent a significant obstacle in the development of robust quantum computers. We present a computationally efficient simulation methodology for studying leakage errors in quantum error correcting codes (QECCs) using tensor network methods, specifically Matrix Product States (MPS). Our approach enables the simulation of various leakage processes, including thermal noise and coherent errors, without approximations (such as the Pauli twirling approximation) that can lead to errors in the estimation of the logical error rate. We apply our method to two QECCs: the one-dimensional (1D) repetition code and a thin 3 × d surface code. By leveraging the small amount of entanglement generated during the error correction process, we are able to study large systems, up to a few hundred qudits, over many code cycles. We consider a realistic noise model of leakage relevant to superconducting qubits to evaluate code performance and a variety of leakage removal strategies. Our numerical results suggest that appropriate leakage removal is crucial, especially when the code distance is large. Copyright © 2023, The Authors. All rights reserved.

关键词： Thermal noise

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Virtual quantum error detection

引用

Physical Review A 2023年第4期108卷 042426-042426页

作者： Kento Tsubouchi Yasunari Suzuki Yuuki Tokunaga Nobuyuki Yoshioka Suguru Endo Department of Applied Physics University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan NTT Computer and Data Science Laboratories NTT Corporation Musashino Tokyo 180-8585 Japan Theoretical Quantum Physics Laboratory RIKEN Cluster for Pioneering Research Wako-shi Saitama 351-0198 Japan JST PRESTO 4-1-8 Honcho Kawaguchi Saitama 332-0012 Japan

Quantum error correction and quantum error detection necessitate syndrome measurements to detect errors. Performing syndrome measurements for each stabilizer generator can be a significant overhead, considering the fact that the readout fidelity in the current quantum hardware is generally lower than gate fidelity. Here, by generalizing a quantum error mitigation method known as symmetry expansion, we propose a protocol called virtual quantum error detection (VQED). This method virtually allows for evaluating computation results corresponding to postselected quantum states obtained through quantum error detection during circuit execution, without implementing syndrome measurements. Unlike conventional quantum error detection, which requires the implementation of Hadamard test circuits for each stabilizer generator, our VQED protocol can be performed with a constant depth shallow quantum circuit with an ancilla qubit, irrespective of the number of stabilizer generators. Furthermore, for some simple error models, the computation results obtained using VQED are robust against the noise that occurred during the operation of VQED, and our method is fully compatible with other error mitigation schemes, enabling further improvements in computation accuracy and facilitating high-fidelity quantum computing.

关键词： Quantum algorithms Quantum algorithms & computation Quantum error correction Quantum information processing

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