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Hot Fix: RuCl Application 2: GSEE #67

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merged 14 commits into from
Jan 10, 2025
Merged

Hot Fix: RuCl Application 2: GSEE #67

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5c46346
Adding application 2: GSEE in RuCl notebook
zain2864 Dec 4, 2024
4af3258
Added RuCL GSEE script, modified RuCl dynamics script, updated RuCl pdf
zain2864 Dec 10, 2024
8d314d5
Consolidated RuCl scripts to one with flag for mode, added changes to…
zain2864 Dec 13, 2024
aa07328
Removed QPE cells
zain2864 Dec 13, 2024
c0034e9
modified syntax, added csv file input for rucl script
zain2864 Dec 18, 2024
c5a78c6
updated rucl pdf
zain2864 Dec 19, 2024
3edf51d
hot fix for rucl-application-2, in regards to init state, input data …
zain2864 Jan 7, 2025
be1e176
Merge branch 'dev' into feature/RuCl-application-2
zain2864 Jan 7, 2025
4bb6fe8
changes to syntax and to clean up code
zain2864 Jan 9, 2025
4f1f3e9
add row and lattice size to circuit name for notebook
zain2864 Jan 9, 2025
f795f2c
changes to make sure the graph is not being built more than once
zain2864 Jan 9, 2025
eeb92aa
changes to notebook for minimizing building rucl graph
zain2864 Jan 10, 2025
19aaeae
notebook function call for ham gen
zain2864 Jan 10, 2025
e6aff85
updated pdf for rucl
zain2864 Jan 10, 2025
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8 changes: 4 additions & 4 deletions data/RuCl_test_input.csv
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
reference, method, J1, K1, Gam1, Gam_prime1, J2, K2, J3, K3
"Winter et al. PRB","Ab initio (DFT + exact diag.)", -1.7,-6.7,6.6,-0.9,0,0,2.7,0
"Winter et al. NC","Ab initio-inspired (INS fit)", -0.5, -5.0, 2.5,0,0,0,0.5,0
"Wu et al.","THz spectroscopy fit", -0.35,-2.8, 2.4,0,0,0,0.34,0
reference,method,J1,K1,Gam1,Gam_prime1,J2,K2,J3,K3
"Winter et al. PRB","Ab initio (DFT + exact diag.)",-1.7,-6.7,6.6,-0.9,0,0,2.7,0
"Winter et al. NC","Ab initio-inspired (INS fit)",-0.5,-5.0,2.5,0,0,0,0.5,0
"Wu et al.","THz spectroscopy fit",-0.35,-2.8, 2.4,0,0,0,0.34,0
"Cookmeyer and Moore","Magnon thermal Hall (sign)",-0.5,-5.0,2.5,0,0,0,0.1125,0
"Kim and Kee","DFT + t=U expansion",-1.53,-6.55,5.25,-0.95,0,0,0,0
"Suzuki and Suga","Magnetic specific heat",-1.53,-24.4,5.25,-0.95,0,0,0,0
Expand Down
87 changes: 54 additions & 33 deletions notebooks/RuClExample.ipynb
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  • lattice variable be renamed to lattice_size
  • remove copied code that you did the same way in script. clean up and use it here also
  • put gsee args definitions for GSEE outside of loop, e.g, bits_precision, trotter_order, trotter_steps, lattice_size
  • fix initial state block, same as second comment
  • pass in lattice size and column idx into circuit name

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done

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@JonhasSC JonhasSC Jan 10, 2025 •
edited
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improper generate_rucl_hamiltonian function call. Did not modify call to account for new function signature.

Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@
"from pyLIQTR.gate_decomp.cirq_transforms import clifford_plus_t_direct_transform\n",
"\n",
"\n",
"from qca.utils.utils import plot_histogram, gen_resource_estimate, re_as_json, QSPMetaData, TrotterMetaData, circuit_estimate\n",
"from qca.utils.utils import plot_histogram, gen_resource_estimate, re_as_json, QSPMetaData, TrotterMetaData,GSEEMetaData, circuit_estimate\n",
"from qca.utils.algo_utils import estimate_qsp, estimate_trotter, gsee_resource_estimation\n",
"from qca.utils.hamiltonian_utils import flatten_nx_graph, assign_hexagon_labels, pyliqtr_hamiltonian_to_openfermion_qubit_operator"
]
Expand Down Expand Up @@ -780,11 +780,14 @@
" H.append((string_z, weight_z))\n",
" return H\n",
"\n",
"#using normalized time s = t_current / t_total to allow for more variation of total time\n",
"def generate_rucl_hamiltonian(lattice_size, data_series, s=0, field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0):\n",
"def build_rucl_graph(lattice_size) -> nx.graph:\n",
" graph = hexagonal_lattice_graph(lattice_size,lattice_size)\n",
" assign_hexagon_labels_rucl(graph)\n",
" graph = flatten_nx_graph(graph)\n",
" return graph\n",
"\n",
"#using normalized time s = t_current / t_total to allow for more variation of total time\n",
"def generate_rucl_hamiltonian(graph, data_series, s=0, field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0):\n",
" H_constant = nx_rucl_terms(graph, data_series)\n",
" H_time_varied = generate_time_varying_terms(graph, s, x=field_x, y = field_y, z = field_z)\n",
" H = H_constant + H_time_varied\n",
Expand Down Expand Up @@ -822,7 +825,7 @@
},
{
"cell_type": "code",
"execution_count": 16,
"execution_count": 6,
"id": "2a1e7584-5f7c-458b-92db-d73bafb10a6b",
"metadata": {},
"outputs": [
Expand Down Expand Up @@ -960,16 +963,16 @@
},
"outputs": [],
"source": [
"#defining precision required for the trotterized circuit\n",
"lattice_size = 32\n",
"evolution_time=1000\n",
"trotter_order = 2\n",
"energy_precision = 1e-3\n",
"extrapolated=True\n",
"\n",
"#Commenting out range, to avoid long runtimes. This still takes ~20-30 minutes as written\n",
"for i in [13]:\n",
"#for i in range(19):\n",
" #defining precision required for the trotterized circuit\n",
" lattice_size = 32\n",
" evolution_time=1000\n",
" trotter_order = 2\n",
" energy_precision = 1e-3\n",
" extrapolated=True\n",
"\n",
"\n",
" figdir=\"Trotter/Figures/\"\n",
" if not os.path.exists(figdir):\n",
Expand All @@ -978,9 +981,8 @@
" if not os.path.exists(widthdir):\n",
" os.makedirs(widthdir)\n",
"\n",
"\n",
"\n",
" H_rucl = generate_rucl_hamiltonian(lattice_size, df_rucl.iloc[i], field_x=lambda s: 1/sqrt(6), field_y=lambda s: 1/sqrt(6), field_z=lambda s: -2/sqrt(6))\n",
" graph = build_rucl_graph(lattice_size)\n",
" H_rucl = generate_rucl_hamiltonian(graph, df_rucl.iloc[i], field_x=lambda s: 1/sqrt(6), field_y=lambda s: 1/sqrt(6), field_z=lambda s: -2/sqrt(6))\n",
" H_rucl_pyliqtr = pyH(H_rucl)\n",
" openfermion_hamiltonian_rucl = pyliqtr_hamiltonian_to_openfermion_qubit_operator(H_rucl_pyliqtr)\n",
" \n",
Expand Down Expand Up @@ -1011,7 +1013,7 @@
" outdir='Trotter/RuCl_circuits/',\n",
" metadata=trotter_metadata,\n",
" is_extrapolated=extrapolated,\n",
" hamiltonian_name=f'rucl_trotter_{i}_test',\n",
" hamiltonian_name=f'rucl_trotter_{i}_test_lattice_size_{lattice_size}',\n",
" write_circuits=True\n",
" )\n",
" t1 = time.perf_counter()\n",
Expand All @@ -1020,7 +1022,7 @@
" \n",
" plot_histogram(\n",
" cpt_trotter_rucl,\n",
" f'trotter RuCl, row{i}',\n",
" f'trotter RuCl, row{i}, lattice_size_{lattice_size}',\n",
" figdir,\n",
" widthdir,\n",
" 0\n",
Expand Down Expand Up @@ -1086,7 +1088,8 @@
" if not os.path.exists(widthdir):\n",
" os.makedirs(widthdir)\n",
"\n",
" H_rucl = generate_rucl_hamiltonian(lattice_size, df_rucl.iloc[i], field_x=lambda s: 1/sqrt(6), field_y=lambda s: 1/sqrt(6), field_z=lambda s: -2/sqrt(6))\n",
" graph = build_rucl_graph(lattice_size)\n",
" H_rucl = generate_rucl_hamiltonian(graph, df_rucl.iloc[i], field_x=lambda s: 1/sqrt(6), field_y=lambda s: 1/sqrt(6), field_z=lambda s: -2/sqrt(6))\n",
" H_rucl_pyliqtr = pyH(H_rucl)\n",
" \n",
" rucl_name = f'Rucl_row_{i}_qsp'\n",
Expand All @@ -1113,7 +1116,7 @@
" nsteps=nsteps,\n",
" energy_precision=energy_precision,\n",
" outdir='QSP/RuCl_circuits/',\n",
" hamiltonian_name=f'rucl_qsp_{i}_test',\n",
" hamiltonian_name=f'rucl_qsp_{i}_test_lattice_size_{lattice_size}',\n",
" metadata=qsp_metadata,\n",
" write_circuits=True\n",
" )\n",
Expand Down Expand Up @@ -1318,17 +1321,17 @@
"id": "e1dd65bb",
"metadata": {},
"source": [
"First, we use classical methods such as DMRG for initialization. Since this cannot be incorporated into the notebook, we assume it has been prepared."
"First, we use classical methods such as DMRG for initialization. Since this cannot be incorporated into the notebook, we assume it has been prepared. Instead, we set the size of the initial state equal to the number of nodes in the Hexgonal Lattice Graph."
]
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 10,
"id": "b2f30269",
"metadata": {},
"outputs": [],
"source": [
"#Assume the initial state for GSEE has been prepared through DMRG."
"#Assume the initial state for GSEE has been prepared through DMRG.\n"
]
},
{
Expand All @@ -1347,15 +1350,16 @@
},
{
"cell_type": "code",
"execution_count": 18,
"execution_count": 6,
"id": "0629c6f2",
"metadata": {},
"outputs": [],
"source": [
"#Generating Hamiltonian with zero external magnetic field. (H_field = 0)\n",
"#This is the way that it is prepared using QCA which we will see later in the Trotterized subprocess\n",
"\n",
"H_rucl_no_field = generate_rucl_hamiltonian(32, df_rucl.iloc[0], field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0) ###Note df_rucl.iloc[i] used information from the table\n",
"graph = build_rucl_graph(32)\n",
"H_rucl_no_field = generate_rucl_hamiltonian(graph, df_rucl.iloc[0], field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0) ###Note df_rucl.iloc[i] used information from the table\n",
"H_rucl_no_field_pyliqtr = pyH(H_rucl_no_field)\n",
"H_rucl_no_field_qubit_op = pyliqtr_hamiltonian_to_openfermion_qubit_operator(H_rucl_no_field_pyliqtr)"
]
Expand All @@ -1376,13 +1380,14 @@
"outputs": [],
"source": [
"###Trotterized Subprocess\n",
"for i in [13]:\n",
" bits_precision = 10 \n",
" trotter_order = 2\n",
" trotter_steps = 1\n",
" lattice_size = 32\n",
"bits_precision = 10 \n",
"trotter_order = 2\n",
"trotter_steps = 1\n",
"lattice_size = 32\n",
"\n",
" H_rucl_no_field = generate_rucl_hamiltonian(lattice_size, df_rucl.iloc[i], field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0)\n",
"for i in [13]:\n",
" graph = build_rucl_graph(lattice_size)\n",
" H_rucl_no_field = generate_rucl_hamiltonian(graph, df_rucl.iloc[i], field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0)\n",
" H_rucl_no_field_pyliqtr = pyH(H_rucl_no_field)\n",
" H_rucl_no_field_qubit_op = pyliqtr_hamiltonian_to_openfermion_qubit_operator(H_rucl_no_field_pyliqtr)\n",
"\n",
Expand All @@ -1393,14 +1398,29 @@
" t = 2*np.pi/omega\n",
" phase_offset = E_max*t\n",
"\n",
" rucl_metadata = GSEEMetaData(\n",
" id = 2000,\n",
" name = rucl_name,\n",
" category='scientific',\n",
" size=f'{lattice_size}',\n",
" task='Ground State Energy Estimation',\n",
" evolution_time=t,\n",
" is_extrapolated=True,\n",
" trotter_order=trotter_order,\n",
" bits_precision=bits_precision,\n",
" nsteps=trotter_steps,\n",
" )\n",
"\n",
" gsee_args = {\n",
" 'trotterize' : True,\n",
" 'mol_ham' : H_rucl_no_field_qubit_op,\n",
" 'ev_time' : t,\n",
" 'trot_ord' : trotter_order,\n",
" 'trot_num' : trotter_steps\n",
" }\n",
" init_state = [0] * lattice_size * lattice_size * 2 #Assume DMRG is used in initial state prep\n",
"\n",
" #Initial State\n",
" init_state = [0] * len(graph.nodes) #Assume DMRG is used in initial state prep\n",
"\n",
" print(f'Estimating RuCl Ham row {i} of size {lattice_size}')\n",
" t0 = time.perf_counter()\n",
Expand All @@ -1412,8 +1432,9 @@
" precision_order=1,\n",
" bits_precision=bits_precision,\n",
" phase_offset=phase_offset,\n",
" circuit_name=f'H_rucl_no_field',\n",
" write_circuits=True\n",
" circuit_name=f'gsee_rucl_size_{lattice_size}_row_{i}',\n",
" metadata=rucl_metadata,\n",
" write_circuits=False\n",
" )\n",
" t1 = time.perf_counter()\n",
" print(f'Time to estimate RuCl Ham with no external field: {t1-t0}')"
Expand Down Expand Up @@ -1449,7 +1470,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.12.0"
"version": "3.11.10"
}
},
"nbformat": 4,
Expand Down
2 changes: 1 addition & 1 deletion requirements.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
pyLIQTR == 1.3.0
pyLIQTR == 1.3.4
matplotlib
networkx
numpy
Expand Down
50 changes: 33 additions & 17 deletions scripts/RuCl-RE.py
View file
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Original file line number Diff line number Diff line change
Expand Up @@ -149,10 +149,16 @@ def assign_hexagon_labels_rucl(graph):
if (r-1, c+2) in graph and (r + c)%2 == 1:
graph.add_edge(n, (r-1, c+2), label= 'Y3')

def generate_rucl_hamiltonian(lattice_size, data_series, s=0, field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0):


def build_rucl_graph(lattice_size):
graph = hexagonal_lattice_graph(lattice_size,lattice_size)
assign_hexagon_labels_rucl(graph)
graph = flatten_nx_graph(graph)
return graph


def generate_rucl_hamiltonian(graph, data_series, s=0, field_x=lambda s: 0, field_y=lambda s: 0, field_z=lambda s: 0):
H_constant = nx_rucl_terms(graph, data_series)
H_time_varied = generate_time_varying_terms(graph, s, x=field_x, y = field_y, z = field_z)
H = H_constant + H_time_varied
Expand Down Expand Up @@ -200,12 +206,20 @@ def gen_args():
)

parser.add_argument(
'-D',
'--directory',
'-I',
'--input_dir',
type=str,
help='Directoty with pathway datafiles.',
help='Input directory containing datafiles. (Ex: RuCl_input.csv file)',
default='../data/'
)

parser.add_argument(
'-O',
'--output_dir',
type=str,
help="Parent directory for resource-estimation outputs (default: RuCl_RE/)",
default = "RuCl_RE/"
)
return parser.parse_args()

def generate_rucl_dynamics_re(
Expand All @@ -223,8 +237,9 @@ def generate_rucl_dynamics_re(
if not os.path.exists(outdir):
os.makedirs(outdir)
for rucl_idx in range(len(df_rucl)):
graph = build_rucl_graph(lattice_size)
H_rucl = generate_rucl_hamiltonian(
lattice_size,
graph,
df_rucl.iloc[rucl_idx],
field_x = lambda s: 1/sqrt(6)/2,
field_y = lambda s: 1/sqrt(6)/2,
Expand Down Expand Up @@ -255,7 +270,7 @@ def generate_rucl_dynamics_re(
metadata=trotter_metadata,
outdir=outdir,
trotter_order=trotter_order,
hamiltonian_name=f'trotter_rucl_size_{lattice_size}_row_{rucl_idx}',
hamiltonian_name=f'Dynamics_trotter_rucl_size_{lattice_size}_row_{rucl_idx}',
nsteps=nsteps,
is_extrapolated=is_extrapolated
)
Expand All @@ -279,12 +294,11 @@ def generate_rucl_dynamics_re(
energy_precision=energy_precision,
metadata=qsp_metadata,
outdir=outdir,
hamiltonian_name=f'qsp_rucl_size_{lattice_size}_row_{rucl_idx}',
hamiltonian_name=f'Dynamics_qsp_rucl_size_{lattice_size}_row_{rucl_idx}',
write_circuits=False
)

def generate_rucl_gsee_re(
energy_precision:float,
bits_precision:float,
lattice_size: int,
evolution_time:float,
Expand All @@ -295,13 +309,14 @@ def generate_rucl_gsee_re(
gate_synth_accuracy = 10
trotter_order = 2
is_extrapolated=True
init_state = [0] * lattice_size * lattice_size * 2 #TODO: use DMRG as initial state prep


if not os.path.exists(outdir):
os.makedirs(outdir)
for rucl_idx in range(len(df_rucl)):
graph = build_rucl_graph(lattice_size)
H_rucl_no_fields = generate_rucl_hamiltonian(
lattice_size,
graph,
df_rucl.iloc[rucl_idx],
field_x = lambda s: 0,
field_y = lambda s: 0,
Expand All @@ -310,6 +325,7 @@ def generate_rucl_gsee_re(
H_rucl__no_fields_pyliqtr = pyH(H_rucl_no_fields)
openfermion_hamiltonian_rucl_no_fields = pyliqtr_hamiltonian_to_openfermion_qubit_operator(H_rucl__no_fields_pyliqtr)

init_state = [0] * len(graph.nodes)

E_min = -len(openfermion_hamiltonian_rucl_no_fields.terms)
E_max = 0
Expand All @@ -328,7 +344,7 @@ def generate_rucl_gsee_re(
evolution_time = evolution_time,
nsteps = nsteps,
trotter_order = trotter_order,
energy_precision=energy_precision,
bits_precision = bits_precision,
is_extrapolated=is_extrapolated,

)
Expand All @@ -341,25 +357,26 @@ def generate_rucl_gsee_re(
'trot_num' : nsteps
}
gsee_resource_estimation(
outdir='GSEE/RuCl_GSEE/No_Field/',
outdir=outdir,
nsteps=nsteps,
gsee_args=gsee_args,
init_state=init_state,
precision_order=1,
bits_precision=bits_precision,
phase_offset=phase_offset,
metadata = gsee_metadata
metadata = gsee_metadata,
circuit_name = f'GSEE_rucl_size_{lattice_size}_row_{rucl_idx}'
)


def rucl_estimate():
args = gen_args()

RuCl_csv_directory=args.directory
RuCl_csv_directory=args.input_dir
df_rucl = pd.read_csv(f"{RuCl_csv_directory}RuCl_test_input.csv")

if args.mode == 'dynamics':
re_dir = 'temp_RE/Dynamics/'
re_dir = os.path.join(args.output_dir, "Dynamics/")
generate_rucl_dynamics_re(
energy_precision=1e-3,
lattice_size=args.lattice_size,
Expand All @@ -369,9 +386,8 @@ def rucl_estimate():
outdir=re_dir
)
elif args.mode == 'gsee':
re_dir = 'temp_RE/GSEE/'
re_dir = os.path.join(args.output_dir, "GSEE/")
generate_rucl_gsee_re(
energy_precision=1e-3,
bits_precision = 10,
lattice_size=args.lattice_size,
evolution_time=args.evolution_time,
Expand Down
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