TY - JOUR
T1 - Computing and optimizing over all fixed-points of discrete systems on large networks
T2 - Computing and optimizing over all fixed-points of discrete systems on large networks
AU - Riehl, James R.
AU - Zimmerman, Maxwell I.
AU - Singh, Matthew F.
AU - Bowman, Gregory R.
AU - Ching, Shinung
N1 - Publisher Copyright:
© 2020 The Author(s).
PY - 2020/9/1
Y1 - 2020/9/1
N2 - Equilibria, or fixed points, play an important role in dynamical systems across various domains, yet finding them can be computationally challenging. Here, we show how to efficiently compute all equilibrium points of discrete-valued, discrete-time systems on sparse networks. Using graph partitioning, we recursively decompose the original problem into a set of smaller, simpler problems that are easy to compute, and whose solutions combine to yield the full equilibrium set. This makes it possible to find the fixed points of systems on arbitrarily large networks meeting certain criteria. This approach can also be used without computing the full equilibrium set, which may grow very large in some cases. For example, one can use this method to check the existence and total number of equilibria, or to find equilibria that are optimal with respect to a given cost function. We demonstrate the potential capabilities of this approach with examples in two scientific domains: computing the number of fixed points in brain networks and finding the minimal energy conformations of lattice-based protein folding models.
AB - Equilibria, or fixed points, play an important role in dynamical systems across various domains, yet finding them can be computationally challenging. Here, we show how to efficiently compute all equilibrium points of discrete-valued, discrete-time systems on sparse networks. Using graph partitioning, we recursively decompose the original problem into a set of smaller, simpler problems that are easy to compute, and whose solutions combine to yield the full equilibrium set. This makes it possible to find the fixed points of systems on arbitrarily large networks meeting certain criteria. This approach can also be used without computing the full equilibrium set, which may grow very large in some cases. For example, one can use this method to check the existence and total number of equilibria, or to find equilibria that are optimal with respect to a given cost function. We demonstrate the potential capabilities of this approach with examples in two scientific domains: computing the number of fixed points in brain networks and finding the minimal energy conformations of lattice-based protein folding models.
KW - brain networks
KW - energy landscapes
KW - fixed points
KW - graph partitioning
KW - optimization
KW - protein folding
UR - http://www.scopus.com/inward/record.url?scp=85090709679&partnerID=8YFLogxK
U2 - 10.1098/rsif.2020.0126
DO - 10.1098/rsif.2020.0126
M3 - Article
C2 - 32900299
AN - SCOPUS:85090709679
SN - 1742-5689
VL - 17
JO - Journal of the Royal Society Interface
JF - Journal of the Royal Society Interface
IS - 170
M1 - 20200126
ER -