kjao/squish
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Added option to not compute hessian during search

Browse Source
This commit is contained in:
Kenneth Jao 2021-09-19 02:59:24 -04:00
parent f452301f0a
commit e90e9ddb96
1 changed files with 17 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

33
simulation.py
View File

@ -665,27 +665,28 @@ class Search(Simulation):
print(f'Equilibrium: {i:04}\n', flush=True) print(f'Equilibrium: {i:04}\n', flush=True)
# Calculate kernel, and travel in some direction. # Calculate kernel, and travel in some direction.
hess = self.frames[i].hessian(10e-5) if self.kernel_step > 0:
ns = scipy.linalg.null_space(hess, 10e-4).T hess = self.frames[i].hessian(10e-5)
ns = scipy.linalg.null_space(hess, 10e-4).T
#self.frames[i].get_statistics() #self.frames[i].get_statistics()
eigs = np.sort(np.linalg.eig(hess)[0]) eigs = np.sort(np.linalg.eig(hess)[0])
self.frames[i].stats["eigs"] = eigs self.frames[i].stats["eigs"] = eigs
zero_eigs = np.count_nonzero(np.isclose(eigs, np.zeros((len(eigs),)), atol=1e-4)) zero_eigs = np.count_nonzero(np.isclose(eigs, np.zeros((len(eigs),)), atol=1e-4))
if zero_eigs != 2: if zero_eigs != 2:
print("WARNING, 0 EIGS NOT 2", zero_eigs) print("WARNING, 0 EIGS NOT 2", zero_eigs)
if i == self.iter-1: if i == self.iter-1:
break break
if len(ns) <= 2: if len(ns) <= 2:
new_sites = dim * np.random.random_sample((self.n, 2)) new_sites = dim * np.random.random_sample((self.n, 2))
else: else:
vec = ns[random.randint(0, len(ns)-1)] # Choose random vector vec = ns[random.randint(0, len(ns)-1)] # Choose random vector
new_sites = self.frames[i].add_sites(self.kernel_step*vec.reshape((self.n, 2))) new_sites = self.frames[i].add_sites(self.kernel_step*vec.reshape((self.n, 2)))
new_sites += (center - new_sites[fixed]) % dim # Offset new_sites += (center - new_sites[fixed]) % dim # Offset
self.frames.append(None) self.frames.append(None)