English
Related papers

Related papers: Adversarial reverse mapping of condensed-phase mol…

200 papers

Complex nanophotonic structures hold the potential to deliver exquisitely tailored optical responses for a range of applications. Metal-insulator-metal (MIM) metasurfaces arranged in supercells, for instance, can be tailored by geometry and…

The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is one of the most widely used conceptual and computational tools of physics. Here, we propose and investigate the inverse map of effective…

Other Condensed Matter · Physics 2009-11-13 J. P. Coe , K. Capelle , I. D'Amico

Molecular simulations have assumed a paramount role in the fields of chemistry, biology, and material sciences, being able to capture the intricate dynamic properties of systems. Within this realm, coarse-grained (CG) techniques have…

Chemical Physics · Physics 2026-03-06 Daniele Angioletti , Stefano Raniolo , Vittorio Limongelli

Deep neural networks give state-of-the-art accuracy for reconstructing images from few and noisy measurements, a problem arising for example in accelerated magnetic resonance imaging (MRI). However, recent works have raised concerns that…

Image and Video Processing · Electrical Eng. & Systems 2021-06-14 Mohammad Zalbagi Darestani , Akshay S. Chaudhari , Reinhard Heckel

Purpose: To develop an efficient dual-domain reconstruction framework for multi-contrast MRI, with the focus on minimising cross-contrast misalignment in both the image and the frequency domains to enhance optimisation. Theory and Methods:…

Image and Video Processing · Electrical Eng. & Systems 2023-12-04 Junwei Yang , Pietro Liò

Super-resolution reconstruction techniques entail the utilization of software algorithms to transform one or more sets of low-resolution images captured from the same scene into high-resolution images. In recent years, considerable…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Hao Yan , Zixiang Wang , Zhengjia Xu , Zhuoyue Wang , Zhizhong Wu , Ranran Lyu

Model-driven analysis of biophysical phenomena is gaining increased attention and utility for medical imaging applications. In magnetic resonance imaging (MRI), the availability of well-established models for describing the relations…

Medical Physics · Physics 2023-10-31 Dinor Nagar , Nikita Vladimirov , Christian T. Farrar , Or Perlman

Deep neural networks have emerged as effective tools for computational imaging including quantitative phase microscopy of transparent samples. To reconstruct phase from intensity, current approaches rely on supervised learning with training…

Image and Video Processing · Electrical Eng. & Systems 2020-01-28 Emrah Bostan , Reinhard Heckel , Michael Chen , Michael Kellman , Laura Waller

One primary technical challenge in photoacoustic microscopy (PAM) is the necessary compromise between spatial resolution and imaging speed. In this study, we propose a novel application of deep learning principles to reconstruct…

Image and Video Processing · Electrical Eng. & Systems 2020-06-02 Anthony DiSpirito , Daiwei Li , Tri Vu , Maomao Chen , Dong Zhang , Jianwen Luo , Roarke Horstmeyer , Junjie Yao

We present the first systematic study of multi-domain map-to-map translation in galaxy formation simulations, leveraging deep generative models to predict diverse galactic properties. Using high-resolution magneto-hydrodynamical simulation…

Astrophysics of Galaxies · Physics 2026-02-18 Philipp Denzel , Yann Billeter , Frank-Peter Schilling , Elena Gavagnin

For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To overcome this problem multiscale techniques are being…

Statistical Mechanics · Physics 2007-05-23 Matej Praprotnik , Kurt Kremer , Luigi Delle Site

Increasing the efficiency of materials design and discovery remains a significant challenge, especially given the prohibitively large size of chemical compound space. The use of a chemically transferable coarse-grained model enables…

Chemical Physics · Physics 2020-01-08 Kiran H. Kanekal , Tristan Bereau

Transformers generate valid and diverse chemical structures, but little is known about the mechanisms that enable these models to capture the rules of molecular representation. We present a mechanistic analysis of autoregressive…

Machine Learning · Computer Science 2025-12-11 Kristof Varadi , Mark Marosi , Peter Antal

Reliable skin cancer diagnosis models play an essential role in early screening and medical intervention. Prevailing computer-aided skin cancer classification systems employ deep learning approaches. However, recent studies reveal their…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Yongwei Wang , Yuan Li , Zhiqi Shen , Yuhui Qiao

The diffusion-driven Turing instability is a potential mechanism for spatial pattern formation in numerous biological and chemical systems. However, engineering these patterns and demonstrating that they are produced by this mechanism is…

Biological Physics · Physics 2025-12-02 Antonio Matas-Gil , Robert G. Endres

Deep neural networks have become a foundational tool for addressing imaging inverse problems. They are typically trained for a specific task, with a supervised loss to learn a mapping from the observations to the image to recover. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Matthieu Terris , Thomas Moreau

Transfer learning has emerged as a powerful methodology for adapting pre-trained deep neural networks on image recognition tasks to new domains. This process consists of taking a neural network pre-trained on a large feature-rich source…

Machine Learning · Computer Science 2021-04-27 Francisco Utrera , Evan Kravitz , N. Benjamin Erichson , Rajiv Khanna , Michael W. Mahoney

State-of-the-art learned reconstruction methods often rely on black-box modules that, despite their strong performance, raise questions about their interpretability and robustness. Here, we build on a recently proposed image reconstruction…

Image and Video Processing · Electrical Eng. & Systems 2026-05-19 Joshua Schulz , David Schote , Christoph Kolbitsch , Kostas Papafitsoros , Andreas Kofler

Inferring model parameters from experimental data is a grand challenge in many sciences, including cosmology. This often relies critically on high fidelity numerical simulations, which are prohibitively computationally expensive. The…

Instrumentation and Methods for Astrophysics · Physics 2019-05-23 Mustafa Mustafa , Deborah Bard , Wahid Bhimji , Zarija Lukić , Rami Al-Rfou , Jan M. Kratochvil

Ongoing studies have identified similarities between neural representations in biological networks and in deep artificial neural networks. This has led to renewed interest in developing analogies between the backpropagation learning…

Neural and Evolutionary Computing · Computer Science 2019-06-11 Theodore H. Moskovitz , Ashok Litwin-Kumar , L. F. Abbott