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From Kernel Methods to Neural Networks: A Unifying Variational Formulation

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In vivo magnetic resonance P-31-Spectral Analysis With Neural Networks: 31P-SPAWNN

Lijing Xin, François Lazeyras, Sébastien Courvoisier, Julien Songeon

Purpose: We have introduced an artificial intelligence framework, 31P-SPAWNN, in order to fully analyze phosphorus-31 (P-31) magnetic resonance spectra. The flexibility and speed of the technique rival traditional least-square fitting methods, with the per ...

WILEY2022

ADAGRAD Avoids Saddle Points

Kimon Antonakopoulos, Xiao Wang

Adaptive first-order methods in optimization are prominent in machine learning and data science owing to their ability to automatically adapt to the landscape of the function being optimized. However, their convergence guarantees are typically stated in te ...

JMLR-JOURNAL MACHINE LEARNING RESEARCH2022

Controlling motion at the nanoscale with light

Mintae Chung

Optical manipulation at the micro- nano-scale is a fascinating topic due to its inherent non-invasive properties and multifaceted applications in various fields such as biology, sensing, micro-fluidics, and micro- nano-robotics. This thesis involves intens ...

EPFL2022

Hamiltonian reconstruction as metric for variational studies

Giuseppe Carleo

Variational approaches are among the most powerful techniques to approximately solve quantum many-body problems. These encompass both variational states based on tensor or neural networks, and parameterized quantum circuits in variational quantum eigensolv ...

2022

Role of stochastic noise and generalization error in the time propagation of neural-network quantum states

Giuseppe Carleo

Neural-network quantum states (NQS) have been shown to be a suitable variational ansatz to simulate out-of-equilibrium dynamics in two-dimensional systems using timedependent variational Monte Carlo (t-VMC). In particular, stable and accurate time propagat ...

SCIPOST FOUNDATION2022

ADAGRAD Avoids Saddle Points

Kimon Antonakopoulos, Xiao Wang

2022

Annotation-efficient image anomaly detection

Jean-Philippe Thiran

The present invention proposes a method for detecting anomalous or out-of-distribution images in a machine learning system (1) comprising a pre-training network with a first encoder, and an anomaly detection network with a second encoder. The system is fir ...

2022

Machine learning for metallurgy V: A neural-network potential for zirconium

William Curtin, Pandula Manura Liyanage

The mechanical performance-including deformation, fracture and radiation damage-of zirconium is determined at the atomic scale. With Zr and its alloys extensively used in the nuclear industry, understanding that atomic scale behavior is crucial. The defect ...

AMER PHYSICAL SOC2022

Smart pooling: AI-powered COVID-19 informative group testing

Jorge Andres Madrid Wolff

Massive molecular testing for COVID-19 has been pointed out as fundamental to moderate the spread of the pandemic. Pooling methods can enhance testing efficiency, but they are viable only at low incidences of the disease. We propose Smart Pooling, a machin ...

NATURE PORTFOLIO2022

An Analysis of Super-Net Heuristics in Weight-Sharing NAS

Mathieu Salzmann, Kaicheng Yu

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since he ...

IEEE COMPUTER SOC2022