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Tomographic image reconstruction is relevant for many medical imaging modalities including X-ray, ultrasound (US) computed tomography (CT) and photoacoustics, for which the access to full angular range tomographic projections might be not…

Image and Video Processing · Electrical Eng. & Systems 2019-06-14 Valery Vishnevskiy , Richard Rau , Orcun Goksel

The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

Machine Learning · Computer Science 2025-04-25 Binon Teji , Swarup Roy

Designing protein sequences that fold into a target 3-D structure, termed as the inverse folding problem, is central to protein engineering. However, it remains challenging due to the vast sequence space and the importance of local…

Quantitative Methods · Quantitative Biology 2026-03-17 Sazan Mahbub , Souvik Kundu , Eric P. Xing

We present InvMSAFold, an inverse folding method for generating protein sequences that is optimized for diversity and speed. For a given structure, InvMSAFold generates the parameters of a probability distribution over the space of…

Quantitative Methods · Quantitative Biology 2025-05-30 Luca Alessandro Silva , Barthelemy Meynard-Piganeau , Carlo Lucibello , Christoph Feinauer

Protein inverse folding-that is, predicting an amino acid sequence that will fold into the desired 3D structure-is an important problem for structure-based protein design. Machine learning based methods for inverse folding typically use…

Artificial Intelligence · Computer Science 2024-10-23 Yasha Ektefaie , Olivia Viessmann , Siddharth Narayanan , Drew Dresser , J. Mark Kim , Armen Mkrtchyan

Meta-learning of numerical algorithms for a given task consists of the data-driven identification and adaptation of an algorithmic structure and the associated hyperparameters. To limit the complexity of the meta-learning problem, neural…

Machine Learning · Computer Science 2023-07-07 Danimir T. Doncevic , Alexander Mitsos , Yue Guo , Qianxiao Li , Felix Dietrich , Manuel Dahmen , Ioannis G. Kevrekidis

Given a random RNA secondary structure, $S$, we study RNA sequences having fixed ratios of nuclotides that are compatible with $S$. We perform this analysis for RNA secondary structures subject to various base pairing rules and minimum arc-…

Combinatorics · Mathematics 2016-03-14 Christopher L. Barrett , Thomas J. X. Li , Christian M. Reidys

Magnetic Resonance Imaging can produce detailed images of the anatomy and physiology of the human body that can assist doctors in diagnosing and treating pathologies such as tumours. However, MRI suffers from very long acquisition times…

Image and Video Processing · Electrical Eng. & Systems 2022-03-30 George Yiasemis , Jan-Jakob Sonke , Clarisa Sánchez , Jonas Teuwen

Deep-learning-based methods for different applications have been shown vulnerable to adversarial examples. These examples make deployment of such models in safety-critical tasks questionable. Use of deep neural networks as inverse problem…

Machine Learning · Computer Science 2020-02-28 Ankit Raj , Yoram Bresler , Bo Li

Colloidal self-assembly -- the spontaneous organization of colloids into ordered structures -- has been considered key to produce next-generation materials. However, the present-day staggering variety of colloidal building blocks and the…

Soft Condensed Matter · Physics 2021-06-29 Gabriele Maria Coli , Emanuele Boattini , Laura Filion , Marjolein Dijkstra

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as…

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

RNA molecules are single-stranded analogues of DNA that can fold into various structures which influence their biological function within the cell. RNA structures can be modelled combinatorially in terms of a certain type of graph called an…

Combinatorics · Mathematics 2022-04-14 Vincent Moulton , Taoyang Wu

RNA secondary structure prediction is widely used to understand RNA function. Recently, there has been a shift away from the classical minimum free energy (MFE) methods to partition function-based methods that account for folding ensembles…

Biomolecules · Quantitative Biology 2024-02-08 He Zhang , Liang Zhang , David H. Mathews , Liang Huang

Self-organizing systems demonstrate how simple local rules can generate complex stochastic patterns. Many natural systems rely on such dynamics, making self-organization central to understanding natural complexity. A fundamental challenge…

Adaptation and Self-Organizing Systems · Physics 2026-01-12 Elias Najarro , Nicolas Bessone , Sebastian Risi

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

In this paper, we study the interaction of an antisense RNA and its target mRNA, based on the model introduced by Alkan {\it et al.} (Alkan {\it et al.}, J. Comput. Biol., Vol:267--282, 2006). Our main results are the derivation of the…

Combinatorics · Mathematics 2009-03-20 Fenix W. D. Huang , Jing Qin , Christian M. Reidys , Peter F. Stadler

Non-coding RNA (ncRNA) are RNA sequences which don't code for a gene but instead carry important biological functions. The task of ncRNA classification consists in classifying a given ncRNA sequence into its family. While it has been shown…

Genomics · Quantitative Biology 2019-05-17 Emanuele Rossi , Federico Monti , Michael Bronstein , Pietro Liò

A cumbersome operation in numerical analysis and linear algebra, optimization, machine learning and engineering algorithms; is inverting large full-rank matrices which appears in various processes and applications. This has both numerical…

Numerical Analysis · Mathematics 2022-06-24 Neophytos Charalambides , Mert Pilanci , Alfred O. Hero

Reliable training of generative adversarial networks (GANs) typically require massive datasets in order to model complicated distributions. However, in several applications, training samples obey invariances that are \textit{a priori}…