Publications related to ALS Scheme using Extent-based Constraints for the Analysis of Chemical Reaction Systems

MATHICSE Technical Report : Fast computation of spectral projectors of banded matrices

We consider the approximate computation of spectral projectors for symmetric banded matrices. While this problem has received considerable attention, especially in the context of linear scaling electronic structure methods, the presence of small relative s ...

MATHICSE2016

A block algorithm for computing antitriangular factorizations of symmetric matrices

Daniel Kressner, Zvonimir Bujanovic

Any symmetric matrix can be reduced to antitriangular form in finitely many steps by orthogonal similarity transformations. This form reveals the inertia of the matrix and has found applications in, e.g., model predictive control and constraint preconditio ...

Springer2016

Accelerated Spectral Clustering Using Graph Filtering of Random Signals

Pierre Vandergheynst, Rémi Gribonval, Gilles Puy, Nicolas Tremblay

We build upon recent advances in graph signal processing to propose a faster spectral clustering algorithm. Indeed, classical spectral clustering is based on the computation of the first

k

eigenvectors of the similarity matrix' Laplacian, whose computati ...

Ieee2016

Data Reconciliation in Open Reaction Systems using the Concept of Extents

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Kinetic models of chemical reaction systems are typically represented in terms of state variables, such as concentrations, temperature and partial pressures [1]. These state variables in turn depend on the underlying reactions, transfer phenomena, and tran ...

2015

Control without Kinetic Models via Rate Estimation and Feedback Linearization

Abeynaya Gnanasekaran

The concept of variant and invariant states has been developed to decouple the various dynamic effects in reaction systems. The aim of the project is to explore the applications of this concept to control of reaction systems. The concept of reaction varian ...

2015

Data Reconciliation in Reaction Systems using the Concept of Extents

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Abstract of the conference paper Concentrations measured during the course of a chemical reaction are corrupted with noise, which reduces the quality of information. Since these measurements are used for identifying kinetic models, the noise imp ...

Elsevier2015

MATHICSE Technical Report: Fast recovery and approximation of hidden Cauchy structure

We derive an algorithm of optimal complexity which determines whether a given matrix is a Cauchy matrix, and which exactly recovers the Cauchy points defining a Cauchy matrix from the matrix entries. Moreover, we study how to approximate a given matrix by ...

MATHICSE2015

On Convergence Of The Maximum Block Improvement Method

André Uschmajew

The MBI (maximum block improvement) method is a greedy approach to solving optimization problems where the decision variables can be grouped into a finite number of blocks. Assuming that optimizing over one block of variables while fixing all others is rel ...

Siam Publications2015

Invariant Relationships for Heterogeneous Chemical Reaction Systems in Open Reactors

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Many chemical and biochemical industries utilize chemical reaction processes to get desired products from raw materials. Common examples include reaction systems used to manufacture pharmaceutical drugs, vaccines and other chemicals. A chemical reaction sy ...

2014

Matrix Completion on Graphs

Pierre Vandergheynst, Michael Bronstein, Xavier Bresson, Vasilis Kalofolias

The problem of finding the missing values of a matrix given a few of its entries, called matrix completion, has gathered a lot of attention in the recent years. Although the problem is NP-hard, Candes and Recht showed that it can be exactly relaxed if the ...

2014

ALS Scheme using Extent-based Constraints for the Analysis of Chemical Reaction Systems

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MATHICSE Technical Report : Fast computation of spectral projectors of banded matrices

A block algorithm for computing antitriangular factorizations of symmetric matrices

Accelerated Spectral Clustering Using Graph Filtering of Random Signals

Data Reconciliation in Open Reaction Systems using the Concept of Extents

Control without Kinetic Models via Rate Estimation and Feedback Linearization

Data Reconciliation in Reaction Systems using the Concept of Extents

MATHICSE Technical Report: Fast recovery and approximation of hidden Cauchy structure

On Convergence Of The Maximum Block Improvement Method

Invariant Relationships for Heterogeneous Chemical Reaction Systems in Open Reactors

Matrix Completion on Graphs

Control without Kinetic Models via Rate Estimation and Feedback Linearization

Invariant Relationships for Heterogeneous Chemical Reaction Systems in Open Reactors

A block algorithm for computing antitriangular factorizations of symmetric matrices

Accelerated Spectral Clustering Using Graph Filtering of Random Signals

Data Reconciliation in Open Reaction Systems using the Concept of Extents

MATHICSE Technical Report : Fast computation of spectral projectors of banded matrices

On Convergence Of The Maximum Block Improvement Method

Matrix Completion on Graphs

Data Reconciliation in Reaction Systems using the Concept of Extents

MATHICSE Technical Report: Fast recovery and approximation of hidden Cauchy structure