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The advent of computational statistical disciplines, such as machine learning, is leading to a paradigm shift in the way we conceive the design of new compounds. Today computational science does not only provide a sound understanding of…

Materials Science · Physics 2019-11-07 Alessandro Lunghi , Stefano Sanvito

Compounding error, where small prediction mistakes accumulate over time, presents a major challenge in learning-based control. For example, this issue often limits the performance of model-based reinforcement learning and imitation…

Systems and Control · Electrical Eng. & Systems 2025-04-03 Anne Somalwar , Bruce D. Lee , George J. Pappas , Nikolai Matni

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

Iterative phase retrieval algorithms typically employ projections onto constraint subspaces to recover the unknown phases in the Fourier transform of an image, or, in the case of x-ray crystallography, the electron density of a molecule.…

Numerical Analysis · Mathematics 2025-10-20 Veit Elser

Optimization-based solvers play a central role in a wide range of signal processing and communication tasks. However, their applicability in latency-sensitive systems is limited by the sequential nature of iterative methods and the high…

Signal Processing · Electrical Eng. & Systems 2026-03-12 Dvir Avrahami , Amit Milstein , Caroline Chaux , Tirza Routtenberg , Nir Shlezinger

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

Traditional iterative reconstruction methods are accurate but computationally expensive, limiting their use in high-throughput and real-time ptychography. Recent deep learning approaches improve speed, but often predict phase as a Euclidean…

Image and Video Processing · Electrical Eng. & Systems 2026-04-30 Carson Yu Liu , Jun Cheng , Chien-Chun Chen , Steve F. Shu

We consider constraints on the S-matrix of any gapped, Lorentz invariant quantum field theory in 1 + 1 dimensions due to crossing symmetry and unitarity. In this way we establish rigorous bounds on the cubic couplings of a given theory with…

High Energy Physics - Theory · Physics 2018-01-17 Miguel F. Paulos , Joao Penedones , Jonathan Toledo , Balt C. van Rees , Pedro Vieira

We describe a technique for reconstruction of the four-dimensional transverse phase space of a beam in an accelerator beamline, taking into account the presence of unknown errors on the strengths of magnets used in the data collection. Use…

Accelerator Physics · Physics 2024-05-17 Andrzej Wolski , Diego Botelho , David Dunning , Amelia E. Pollard

We propose a framework for the joint inference of network topology, multi-type interaction kernels, and latent type assignments in heterogeneous interacting particle systems from multi-trajectory data. This learning task is a challenging…

Machine Learning · Statistics 2026-02-05 Quanjun Lang , Xiong Wang , Fei Lu , Mauro Maggioni

Recently machine unlearning (MU) is proposed to remove the imprints of revoked samples from the already trained model parameters, to solve users' privacy concern. Different from the runtime expensive retraining from scratch, there exist two…

Machine Learning · Computer Science 2024-12-20 Mingxin Li , Yizhen Yu , Ning Wang , Zhigang Wang , Xiaodong Wang , Haipeng Qu , Jia Xu , Shen Su , Zhichao Yin

We propose a new approach to linear ill-posed inverse problems. Our algorithm alternates between enforcing two constraints: the measurements and the statistical correlation structure in some transformed space. We use a non-linear multiscale…

Computational Engineering, Finance, and Science · Computer Science 2018-12-04 Ivan Dokmanić , Joan Bruna , Stéphane Mallat , Maarten de Hoop

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Multimodal learning typically relies on the assumption that all modalities are fully available during both the training and inference phases. However, in real-world scenarios, consistently acquiring complete multimodal data presents…

Computer Vision and Pattern Recognition · Computer Science 2024-07-18 Donggeun Kim , Taesup Kim

Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequently, the goal is to provide a valid synthesis route for a…

We propose the relaxation bootstrap method for the numerical solution of multi-matrix models in the large $N$ limit, developing and improving the recent proposal of H.Lin. It gives rigorous inequalities on the single trace moments of the…

High Energy Physics - Theory · Physics 2022-06-22 Vladimir Kazakov , Zechuan Zheng

We analyse the matrix factorization problem. Given a noisy measurement of a product of two matrices, the problem is to estimate back the original matrices. It arises in many applications such as dictionary learning, blind matrix…

Numerical Analysis · Computer Science 2016-07-19 Yoshiyuki Kabashima , Florent Krzakala , Marc Mézard , Ayaka Sakata , Lenka Zdeborová

We study a sequential contextual decision-making problem in which certain covariates are missing but can be imputed using a pre-trained AI model. From a theoretical perspective, we analyze how the presence of such a model influences the…

Machine Learning · Computer Science 2025-07-11 Haichen Hu , David Simchi-Levi

Optimization of machine learning models is commonly performed through stochastic gradient updates on randomly ordered training examples. This practice means that sub-epochs comprise of independent random samples of the training data that…

Machine Learning · Computer Science 2019-06-20 Eliav Buchnik , Edith Cohen , Avinatan Hassidim , Yossi Matias

Iterative projection algorithms are successfully being used as a substitute of lenses to recombine, numerically rather than optically, light scattered by illuminated objects. Images obtained computationally allow aberration-free…

Optics · Physics 2007-05-23 S. Marchesini