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We introduce a reversible deep learning model for 13C NMR that uses a single conditional invertible neural network for both directions between molecular structures and spectra. The network is built from i-RevNet style bijective blocks, so…

Machine Learning · Computer Science 2026-04-24 Stefan Kuhn , Vandana Dwarka , Przemyslaw Karol Grenda , Eero Vainikko

Quantum impurity solvers are the computational bottleneck of quantum embedding approaches to correlated materials, such as dynamical mean-field theory (DMFT). We show that neural networks trained on synthetic, material-agnostic data learn…

Strongly Correlated Electrons · Physics 2026-03-25 Agnes Valenti , Ina Park , Antoine Georges , Andrew J. Millis , Olivier Parcollet

We propose a general framework for decoding quantum error-correcting codes with generative modeling. The model utilizes autoregressive neural networks, specifically Transformers, to learn the joint probability of logical operators and…

Quantum Physics · Physics 2023-07-19 Hanyan Cao , Feng Pan , Yijia Wang , Pan Zhang

Bearing fault diagnosis is of great importance to decrease the damage risk of rotating machines and further improve economic profits. Recently, machine learning, represented by deep learning, has made great progress in bearing fault…

Machine Learning · Computer Science 2023-04-05 Jing-Xiao Liao , Hang-Cheng Dong , Zhi-Qi Sun , Jinwei Sun , Shiping Zhang , Feng-Lei Fan

Recently, deep learning based methods have demonstrated promising results on the graph matching problem, by relying on the descriptive capability of deep features extracted on graph nodes. However, one main limitation with existing deep…

Computer Vision and Pattern Recognition · Computer Science 2021-03-16 Quankai Gao , Fudong Wang , Nan Xue , Jin-Gang Yu , Gui-Song Xia

This work is concerned with the following fundamental question in scientific machine learning: Can deep-learning-based methods solve noise-free inverse problems to near-perfect accuracy? Positive evidence is provided for the first time,…

Image and Video Processing · Electrical Eng. & Systems 2022-07-13 Martin Genzel , Ingo Gühring , Jan Macdonald , Maximilian März

Matching two different sets of items, called heterogeneous set-to-set matching problem, has recently received attention as a promising problem. The difficulties are to extract features to match a correct pair of different sets and also…

Computer Vision and Pattern Recognition · Computer Science 2021-01-29 Yuki Saito , Takuma Nakamura , Hirotaka Hachiya , Kenji Fukumizu

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

Optics · Physics 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

Quantitative Susceptibility Mapping is a parametric imaging technique to estimate the magnetic susceptibilities of biological tissues from MRI phase measurements. This problem of estimating the susceptibility map is ill posed. Regularized…

Image and Video Processing · Electrical Eng. & Systems 2022-10-14 Arvind Balachandrasekaran , Davood Karimi , Camilo Jaimes , Ali Gholipour

Neural network systems describe complex mappings that can be very difficult to understand. In this paper, we study the inverse problem of determining the input images that get mapped to specific neural network classes. Ultimately, we expect…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Rebecca Pattichis , Sebastian Janampa , Constantinos S. Pattichis , Marios S. Pattichis

The success of Deep Learning and its potential use in many safety-critical applications has motivated research on formal verification of Neural Network (NN) models. Despite the reputation of learned NN models to behave as black boxes and…

Artificial Intelligence · Computer Science 2018-05-23 Rudy Bunel , Ilker Turkaslan , Philip H. S. Torr , Pushmeet Kohli , M. Pawan Kumar

We show that standard ResNet architectures can be made invertible, allowing the same model to be used for classification, density estimation, and generation. Typically, enforcing invertibility requires partitioning dimensions or restricting…

Machine Learning · Computer Science 2019-05-21 Jens Behrmann , Will Grathwohl , Ricky T. Q. Chen , David Duvenaud , Jörn-Henrik Jacobsen

We introduce a model-based image reconstruction framework with a convolution neural network (CNN) based regularization prior. The proposed formulation provides a systematic approach for deriving deep architectures for inverse problems with…

Computer Vision and Pattern Recognition · Computer Science 2019-06-06 Hemant Kumar Aggarwal , Merry P. Mani , Mathews Jacob

Many large-scale knowledge graphs are now available and ready to provide semantically structured information that is regarded as an important resource for question answering and decision support tasks. However, they are built on rigid…

Computation and Language · Computer Science 2020-04-17 Jiehang Zeng , Lu Liu , Xiaoqing Zheng

We develop a generative model-based approach to Bayesian inverse problems, such as image reconstruction from noisy and incomplete images. Our framework addresses two common challenges of Bayesian reconstructions: 1) It makes use of complex,…

Machine Learning · Statistics 2019-10-24 Vanessa Böhm , François Lanusse , Uroš Seljak

This paper introduces a deep learning system based on a quantum neural network for the binary classification of points of a specific geometric pattern (Two-Moons Classification problem) on a plane. We believe that the use of hybrid deep…

Quantum Physics · Physics 2022-08-10 Marco Simonetti , Damiano Perri , Osvaldo Gervasi

Complex Query Answering (CQA) is a challenge task of Knowledge Graph (KG). Due to the incompleteness of KGs, query embedding (QE) methods have been proposed to encode queries and entities into the same embedding space, and treat logical…

Artificial Intelligence · Computer Science 2025-09-30 Yao Xu , Shizhu He , Cunguang Wang , Li Cai , Kang Liu , Jun Zhao

Neural networks are vulnerable to adversarial attacks, i.e., small input perturbations can significantly affect the outputs of a neural network. Therefore, to ensure safety of neural networks in safety-critical environments, the robustness…

Machine Learning · Computer Science 2025-08-06 Lukas Koller , Tobias Ladner , Matthias Althoff

The paper considers the problem of performing a task defined on a model parameter that is only observed indirectly through noisy data in an ill-posed inverse problem. A key aspect is to formalize the steps of reconstruction and task as…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Jonas Adler , Sebastian Lunz , Olivier Verdier , Carola-Bibiane Schönlieb , Ozan Öktem
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