English
Related papers

Related papers: Quadratic Programming Approach to Fit Protein Comp…

200 papers

Matrix rank minimization problems are gaining a plenty of recent attention in both mathematical and engineering fields. This class of problems, arising in various and across-discipline applications, is known to be NP-hard in general. In…

Optimization and Control · Mathematics 2010-10-06 Yun-Bin Zhao

This paper investigates a new class of non-convex optimization, which provides a unified framework for linear precoding in single/multi-user multiple-input multiple-output (MIMO) channels with arbitrary input distributions. The new…

Signal Processing · Electrical Eng. & Systems 2020-04-08 Juening Jin , Yahong Rosa~Zheng , Wen Chen , Chengshan Xiao

We consider the problem of matrix completion on an $n \times m$ matrix. We introduce the problem of Interpretable Matrix Completion that aims to provide meaningful insights for the low-rank matrix using side information. We show that the…

Optimization and Control · Mathematics 2020-03-05 Dimitris Bertsimas , Michael Lingzhi Li

Quantum machines are among the most promising technologies expected to provide significant improvements in the following years. However, bridging the gap between real-world applications and their implementation on quantum hardware is still…

The capability of discretization of matrix elements in the problem of quadratic functional minimization with linear member built on matrix in N-dimensional configuration space with discrete coordinates is researched. It is shown, that…

Neural and Evolutionary Computing · Computer Science 2012-05-04 Boris Kryzhanovsky , Mikhail Kryzhanovsky , Magomed Malsagov

In this paper, an exact algorithm in polynomial time is developed to solve unrestricted binary quadratic programs. The computational complexity is $O\left( n^{\frac{15}{2}}\right) $, although very conservative, it is sufficient to prove…

Data Structures and Algorithms · Computer Science 2021-02-02 Juan Ignacio Mulero-Martínez

This paper begins with a class of convex quadratic programs (QPs) with bounded variables solvable by the parametric principal pivoting algorithm with $\mathcal{O}(n^3)$ strongly polynomial complexity, where $n$ is the number of variables of…

Optimization and Control · Mathematics 2022-09-28 Jong-Shi Pang , Shaoning Han

The Quadratic Assignment Problem (QAP) is a well-known NP-hard problem that is equivalent to optimizing a linear objective function over the QAP polytope. The QAP polytope with parameter $n$ - \qappolytope{n} - is defined as the convex hull…

Computational Complexity · Computer Science 2020-10-14 Pawan Aurora , Hans Raj Tiwary

We are faced with convex quadratic programing in many contexts related to control theory, economy and robotics. In this paper, we introduce a new active set algorithm for solving such problems and analyze its possible advantages. The…

Optimization and Control · Mathematics 2024-08-27 Negin Bagherpour , Nima Minayi , AmirHossein Shanaghi

Recently various optimization problems, such as Mixed Integer Linear Programming Problems (MILPs), have undergone comprehensive investigation, leveraging the capabilities of machine learning. This work focuses on learning-based solutions…

Machine Learning · Computer Science 2024-06-21 Zhentao Tan , Yadong Mu

Fragment-based shape signature techniques have proven to be powerful tools for computer-aided drug design. They allow scientists to search for target molecules with some similarity to a known active compound. They do not require reference…

Artificial Intelligence · Computer Science 2022-01-05 Thierry Petit , Randy J. Zauhar

The paper investigates a novel approach, based on Constraint Logic Programming (CLP), to predict the 3D conformation of a protein via fragments assembly. The fragments are extracted by a preprocessor-also developed for this work- from a…

Artificial Intelligence · Computer Science 2010-08-02 Alessandro Dal Palu' , Agostino Dovier , Federico Fogolari , Enrico Pontelli

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

We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…

Biomolecules · Quantitative Biology 2007-06-13 Ivan C. Rankenburg , Veit Elser

A moment body is a linear projection of the spectraplex, the convex set of trace-one positive semidefinite matrices. Determining whether a given point lies within a given moment body is a problem with numerous applications in quantum state…

Optimization and Control · Mathematics 2025-07-04 Didier Henrion

Today, hardware constraints are an important limitation on quantum adiabatic optimization algorithms. Firstly, computational problems must be formulated as quadratic unconstrained binary optimization (QUBO) in the presence of noisy coupling…

Quantum Physics · Physics 2018-12-06 Andrew Lucas

Why do neurons encode information the way they do? Normative answers to this question model neural activity as the solution to an optimisation problem; for example, the celebrated efficient coding hypothesis frames neural activity as the…

Neurons and Cognition · Quantitative Biology 2026-03-06 William Dorrell , Peter E. Latham , James Whittington

The combination of linear transformations and non-linear activation functions forms the foundation of most modern deep neural networks, enabling them to approximate highly complex functions. This paper explores the introduction of quadratic…

Machine Learning · Computer Science 2025-10-07 Qian Chen , Linxin Yang , Akang Wang , Xiaodong Luo , Yin Zhang

Computing maximum a posteriori (MAP) estimation in graphical models is an important inference problem with many applications. We present message-passing algorithms for quadratic programming (QP) formulations of MAP estimation for pairwise…

Artificial Intelligence · Computer Science 2012-02-20 Akshat Kumar , Shlomo Zilberstein

This paper addresses a quadratic problem with assignment constraints, an NP-hard combinatorial optimization problem arisen from facility location, multiple-input multiple-output detection, and maximum mean discrepancy calculation et al. The…

Optimization and Control · Mathematics 2025-12-15 Lijun Xie , Ran Gu , Xin Liu