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import streamlit as st | |
import torch | |
import random | |
import numpy as np | |
import yaml | |
from pathlib import Path | |
from io import BytesIO | |
import random | |
from pathlib import Path | |
import matplotlib.pyplot as plt | |
import numpy as np | |
import torch | |
from huggingface_hub import hf_hub_download, snapshot_download | |
import tempfile | |
import traceback | |
import functools as ft | |
import os | |
import random | |
import re | |
from collections import defaultdict | |
from datetime import datetime, timedelta | |
from pathlib import Path | |
import h5py | |
import numpy as np | |
import pandas as pd | |
import torch | |
from torch import Tensor | |
from torch.utils.data import Dataset | |
import logging | |
from Prithvi import * | |
def preproc(batch: list[dict], padding: dict[tuple[int]]) -> dict[str, Tensor]: | |
"""Prepressing function for MERRA2 Dataset | |
Args: | |
batch (dict): List of training samples, each sample should be a | |
dictionary with the following keys:: | |
'sur_static': Numpy array of shape (3, lat, lon). For each pixel (lat, lon), the first dimension indexes sin(lat), cos(lon), sin(lon). | |
'sur_vals': Torch tensor of shape (parameter, time, lat, lon). | |
'sur_tars': Torch tensor of shape (parameter, time, lat, lon). | |
'ulv_vals': Torch tensor of shape (parameter, level, time, lat, lon). | |
'ulv_tars': Torch tensor of shape (parameter, level, time, lat, lon). | |
'sur_climate': Torch tensor of shape (parameter, lat, lon) | |
'ulv_climate': Torch tensor of shape (parameter, level, lat, lon) | |
'lead_time': Integer. | |
'input_time': Integer. | |
padding: Dictionary with keys 'level', 'lat', 'lon', each of dim 2. | |
Returns: | |
Dictionary with the following keys:: | |
'x': [batch, time, parameter, lat, lon] | |
'y': [batch, parameter, lat, lon] | |
'static': [batch, parameter, lat, lon] | |
'lead_time': [batch] | |
'input_time': [batch] | |
'climate (Optional)': [batch, parameter, lat, lon] | |
Note: | |
Here, for x and y, 'parameter' is [surface parameter, upper level, | |
parameter x level]. Similarly for the static information we have | |
[sin(lat), cos(lon), sin(lon), cos(doy), sin(doy), cos(hod), sin(hod), | |
...]. | |
""" # noqa: E501 | |
b0 = batch[0] | |
nbatch = len(batch) | |
data_keys = set(b0.keys()) | |
essential_keys = { | |
"sur_static", | |
"sur_vals", | |
"sur_tars", | |
"ulv_vals", | |
"ulv_tars", | |
"input_time", | |
"lead_time", | |
} | |
climate_keys = { | |
"sur_climate", | |
"ulv_climate", | |
} | |
all_keys = essential_keys | climate_keys | |
if not essential_keys.issubset(data_keys): | |
raise ValueError("Missing essential keys.") | |
if not data_keys.issubset(all_keys): | |
raise ValueError("Unexpected keys in batch.") | |
# Bring all tensors from the batch into a single tensor | |
upl_x = torch.empty((nbatch, *b0["ulv_vals"].shape)) | |
upl_y = torch.empty((nbatch, *b0["ulv_tars"].shape)) | |
sur_x = torch.empty((nbatch, *b0["sur_vals"].shape)) | |
sur_y = torch.empty((nbatch, *b0["sur_tars"].shape)) | |
sur_sta = torch.empty((nbatch, *b0["sur_static"].shape)) | |
lead_time = torch.empty((nbatch,), dtype=torch.float32) | |
input_time = torch.empty((nbatch,), dtype=torch.float32) | |
for i, rec in enumerate(batch): | |
sur_x[i] = rec["sur_vals"] | |
sur_y[i] = rec["sur_tars"] | |
upl_x[i] = rec["ulv_vals"] | |
upl_y[i] = rec["ulv_tars"] | |
sur_sta[i] = rec["sur_static"] | |
lead_time[i] = rec["lead_time"] | |
input_time[i] = rec["input_time"] | |
return_value = { | |
"lead_time": lead_time, | |
"input_time": input_time, | |
} | |
# Reshape (batch, parameter, level, time, lat, lon) -> | |
# (batch, time, parameter, level, lat, lon) | |
upl_x = upl_x.permute((0, 3, 1, 2, 4, 5)) | |
upl_y = upl_y.permute((0, 3, 1, 2, 4, 5)) | |
# Reshape (batch, parameter, time, lat, lon) -> | |
# (batch, time, parameter, lat, lon) | |
sur_x = sur_x.permute((0, 2, 1, 3, 4)) | |
sur_y = sur_y.permute((0, 2, 1, 3, 4)) | |
# Pad | |
padding_2d = (*padding["lon"], *padding["lat"]) | |
def pad2d(x): | |
return torch.nn.functional.pad(x, padding_2d, mode="constant", value=0) | |
padding_3d = (*padding["lon"], *padding["lat"], *padding["level"]) | |
def pad3d(x): | |
return torch.nn.functional.pad(x, padding_3d, mode="constant", value=0) | |
sur_x = pad2d(sur_x).contiguous() | |
upl_x = pad3d(upl_x).contiguous() | |
sur_y = pad2d(sur_y).contiguous() | |
upl_y = pad3d(upl_y).contiguous() | |
return_value["static"] = pad2d(sur_sta).contiguous() | |
# Remove time for targets | |
upl_y = torch.squeeze(upl_y, 1) | |
sur_y = torch.squeeze(sur_y, 1) | |
# We stack along the combined parameter x level dimension | |
return_value["x"] = torch.cat( | |
(sur_x, upl_x.view(*upl_x.shape[:2], -1, *upl_x.shape[4:])), dim=2 | |
) | |
return_value["y"] = torch.cat( | |
(sur_y, upl_y.view(upl_y.shape[0], -1, *upl_y.shape[3:])), dim=1 | |
) | |
if climate_keys.issubset(data_keys): | |
sur_climate = torch.empty((nbatch, *b0["sur_climate"].shape)) | |
ulv_climate = torch.empty((nbatch, *b0["ulv_climate"].shape)) | |
for i, rec in enumerate(batch): | |
sur_climate[i] = rec["sur_climate"] | |
ulv_climate[i] = rec["ulv_climate"] | |
sur_climate = pad2d(sur_climate) | |
ulv_climate = pad3d(ulv_climate) | |
return_value["climate"] = torch.cat( | |
( | |
sur_climate, | |
ulv_climate.view(nbatch, -1, *ulv_climate.shape[3:]), | |
), | |
dim=1, | |
) | |
return return_value | |
def input_scalers( | |
surf_vars: list[str], | |
vert_vars: list[str], | |
levels: list[float], | |
surf_path: str | Path, | |
vert_path: str | Path, | |
) -> tuple[Tensor, Tensor]: | |
"""Reads the input scalers | |
Args: | |
surf_vars: surface variables to be used. | |
vert_vars: vertical variables to be used. | |
levels: MERRA2 levels to use. | |
surf_path: path to surface scalers file. | |
vert_path: path to vertical level scalers file. | |
Returns: | |
mu (Tensor): mean values | |
var (Tensor): varience values | |
""" | |
with h5py.File(Path(surf_path), "r", libver="latest") as surf_file: | |
stats = [x.decode().lower() for x in surf_file["statistic"][()]] | |
mu_idx = stats.index("mu") | |
sig_idx = stats.index("sigma") | |
s_mu = torch.tensor([surf_file[k][()][mu_idx] for k in surf_vars]) | |
s_sig = torch.tensor([surf_file[k][()][sig_idx] for k in surf_vars]) | |
with h5py.File(Path(vert_path), "r", libver="latest") as vert_file: | |
stats = [x.decode().lower() for x in vert_file["statistic"][()]] | |
mu_idx = stats.index("mu") | |
sig_idx = stats.index("sigma") | |
lvl = vert_file["lev"][()] | |
l_idx = [np.where(lvl == v)[0].item() for v in levels] | |
v_mu = np.array([vert_file[k][()][mu_idx, l_idx] for k in vert_vars]) | |
v_sig = np.array([vert_file[k][()][sig_idx, l_idx] for k in vert_vars]) | |
v_mu = torch.from_numpy(v_mu).view(-1) | |
v_sig = torch.from_numpy(v_sig).view(-1) | |
mu = torch.cat((s_mu, v_mu), dim=0).to(torch.float32) | |
sig = torch.cat((s_sig, v_sig), dim=0).to(torch.float32).clamp(1e-4, 1e4) | |
return mu, sig | |
def static_input_scalers( | |
scalar_path: str | Path, stat_vars: list[str], unscaled_params: int = 7 | |
) -> tuple[Tensor, Tensor]: | |
scalar_path = Path(scalar_path) | |
with h5py.File(scalar_path, "r", libver="latest") as scaler_file: | |
stats = [x.decode().lower() for x in scaler_file["statistic"][()]] | |
mu_idx = stats.index("mu") | |
sig_idx = stats.index("sigma") | |
mu = torch.tensor([scaler_file[k][()][mu_idx] for k in stat_vars]) | |
sig = torch.tensor([scaler_file[k][()][sig_idx] for k in stat_vars]) | |
z = torch.zeros(unscaled_params, dtype=mu.dtype, device=mu.device) | |
o = torch.ones(unscaled_params, dtype=sig.dtype, device=sig.device) | |
mu = torch.cat((z, mu), dim=0).to(torch.float32) | |
sig = torch.cat((o, sig), dim=0).to(torch.float32) | |
return mu, sig.clamp(1e-4, 1e4) | |
def output_scalers( | |
surf_vars: list[str], | |
vert_vars: list[str], | |
levels: list[float], | |
surf_path: str | Path, | |
vert_path: str | Path, | |
) -> Tensor: | |
surf_path = Path(surf_path) | |
vert_path = Path(vert_path) | |
with h5py.File(surf_path, "r", libver="latest") as surf_file: | |
svars = torch.tensor([surf_file[k][()] for k in surf_vars]) | |
with h5py.File(vert_path, "r", libver="latest") as vert_file: | |
lvl = vert_file["lev"][()] | |
l_idx = [np.where(lvl == v)[0].item() for v in levels] | |
vvars = np.array([vert_file[k][()][l_idx] for k in vert_vars]) | |
vvars = torch.from_numpy(vvars).view(-1) | |
var = torch.cat((svars, vvars), dim=0).to(torch.float32).clamp(1e-7, 1e7) | |
return var | |
class SampleSpec: | |
""" | |
A data class to collect the information used to define a sample. | |
""" | |
def __init__( | |
self, | |
inputs: tuple[pd.Timestamp, pd.Timestamp], | |
lead_time: int, | |
target: pd.Timestamp | list[pd.Timestamp], | |
): | |
""" | |
Args: | |
inputs: Tuple of timestamps. In ascending order. | |
lead_time: Lead time. In hours. | |
target: Timestamp of the target. Can be before or after the inputs. | |
""" | |
if not inputs[0] < inputs[1]: | |
raise ValueError( | |
"Timestamps in `inputs` should be in strictly ascending order." | |
) | |
self.inputs = inputs | |
self.input_time = (inputs[1] - inputs[0]).total_seconds() / 3600 | |
self.lead_time = lead_time | |
self.target = target | |
self.times = [*inputs, target] | |
self.stat_times = [inputs[-1]] | |
def climatology_info(self) -> tuple[int, int]: | |
"""Get the required climatology info. | |
:return: information required to obtain climatology data. Essentially | |
this is the day of the year and hour of the day of the target | |
timestamp, with the former restricted to the interval [1, 365]. | |
:rtype: tuple | |
""" | |
return (min(self.target.dayofyear, 365), self.target.hour) | |
def year(self) -> int: | |
return self.inputs[1].year | |
def dayofyear(self) -> int: | |
return self.inputs[1].dayofyear | |
def hourofday(self) -> int: | |
return self.inputs[1].hour | |
def _info_str(self) -> str: | |
iso_8601 = "%Y-%m-%dT%H:%M:%S" | |
return ( | |
f"Issue time: {self.inputs[1].strftime(iso_8601)}\n" | |
f"Lead time: {self.lead_time} hours ahead\n" | |
f"Input delta: {self.input_time} hours\n" | |
f"Target time: {self.target.strftime(iso_8601)}" | |
) | |
def get(cls, timestamp: pd.Timestamp, dt: int, lead_time: int): | |
"""Given a timestamp and lead time, generates a SampleSpec object | |
describing the sample further. | |
Args: | |
timestamp: Timstamp of the sample, Ie this is the larger of the two | |
input timstamps. | |
dt: Time between input samples, in hours. | |
lead_time: Lead time. In hours. | |
Returns: | |
SampleSpec | |
""" # noqa: E501 | |
assert dt > 0, "dt should be possitive" | |
lt = pd.to_timedelta(lead_time, unit="h") | |
dt = pd.to_timedelta(dt, unit="h") | |
if lead_time >= 0: | |
timestamp_target = timestamp + lt | |
else: | |
timestamp_target = timestamp - dt + lt | |
spec = cls( | |
inputs=(timestamp - dt, timestamp), | |
lead_time=lead_time, | |
target=timestamp_target, | |
) | |
return spec | |
def __repr__(self) -> str: | |
return self._info_str() | |
def __str__(self) -> str: | |
return self._info_str() | |
class Merra2Dataset(Dataset): | |
"""MERRA2 dataset. The dataset unifies surface and vertical data as well as | |
optional climatology. | |
Samples come in the form of a dictionary. Not all keys support all | |
variables, yet the general ordering of dimensions is | |
parameter, level, time, lat, lon | |
Note: | |
Data is assumed to be in NetCDF files containing daily data at 3-hourly | |
intervals. These follow the naming patterns | |
MERRA2_sfc_YYYYMMHH.nc and MERRA_pres_YYYYMMHH.nc and can be located in | |
two different locations. Optional climatology data comes from files | |
climate_surface_doyDOY_hourHOD.nc and | |
climate_vertical_doyDOY_hourHOD.nc. | |
Note: | |
`_get_valid_timestamps` assembles a set of all timestamps for which | |
there is data (with hourly resolutions). The result is stored in | |
`_valid_timestamps`. `_get_valid_climate_timestamps` does the same with | |
climatology data and stores it in `_valid_climate_timestamps`. | |
Based on this information, `samples` generates a list of valid samples, | |
stored in `samples`. Here the format is:: | |
[ | |
[ | |
(timestamp 1, lead time A), | |
(timestamp 1, lead time B), | |
(timestamp 1, lead time C), | |
], | |
[ | |
(timestamp 2, lead time D), | |
(timestamp 2, lead time E), | |
] | |
] | |
That is, the outer list iterates over timestamps (init times), the | |
inner over lead times. Only valid entries are stored. | |
""" | |
valid_vertical_vars = [ | |
"CLOUD", | |
"H", | |
"OMEGA", | |
"PL", | |
"QI", | |
"QL", | |
"QV", | |
"T", | |
"U", | |
"V", | |
] | |
valid_surface_vars = [ | |
"EFLUX", | |
"GWETROOT", | |
"HFLUX", | |
"LAI", | |
"LWGAB", | |
"LWGEM", | |
"LWTUP", | |
"PRECTOT", | |
"PS", | |
"QV2M", | |
"SLP", | |
"SWGNT", | |
"SWTNT", | |
"T2M", | |
"TQI", | |
"TQL", | |
"TQV", | |
"TS", | |
"U10M", | |
"V10M", | |
"Z0M", | |
] | |
valid_static_surface_vars = ["FRACI", "FRLAND", "FROCEAN", "PHIS"] | |
valid_levels = [ | |
34.0, | |
39.0, | |
41.0, | |
43.0, | |
44.0, | |
45.0, | |
48.0, | |
51.0, | |
53.0, | |
56.0, | |
63.0, | |
68.0, | |
71.0, | |
72.0, | |
] | |
timedelta_input = pd.to_timedelta(3, unit="h") | |
def __init__( | |
self, | |
time_range: tuple[str | pd.Timestamp, str | pd.Timestamp], | |
lead_times: list[int], | |
input_times: list[int], | |
data_path_surface: str | Path, | |
data_path_vertical: str | Path, | |
climatology_path_surface: str | Path | None = None, | |
climatology_path_vertical: str | Path | None = None, | |
surface_vars: list[str] | None = None, | |
static_surface_vars: list[str] | None = None, | |
vertical_vars: list[str] | None = None, | |
levels: list[float] | None = None, | |
roll_longitudes: int = 0, | |
positional_encoding: str = "absolute", | |
rtype: type = np.float32, | |
dtype: torch.dtype = torch.float32, | |
) -> None: | |
""" | |
Args: | |
data_path_surface: Location of surface data. | |
data_path_vertical: Location of vertical data. | |
climatology_path_surface: Location of (optional) surface | |
climatology. | |
climatology_path_vertical: Location of (optional) vertical | |
climatology. | |
surface_vars: Surface variables. | |
static_surface_vars: Static surface variables. | |
vertical_vars: Vertical variables. | |
levels: Levels. | |
time_range: Used to subset data. | |
lead_times: Lead times for generalized forecasting. | |
roll_longitudes: Set to non-zero value to data by random amount | |
along longitude dimension. | |
position_encoding: possible values are | |
['absolute' (default), 'fourier']. | |
'absolute' returns lat lon encoded in 3 dimensions using sine | |
and cosine | |
'fourier' returns lat/lon to be encoded by model | |
<any other key> returns lat/lon to be encoded by model | |
rtype: numpy data type used during read | |
dtype: torch data type of data output | |
""" | |
self.time_range = ( | |
pd.to_datetime(time_range[0]), | |
pd.to_datetime(time_range[1]), | |
) | |
self.lead_times = lead_times | |
self.input_times = input_times | |
self._roll_longitudes = list(range(roll_longitudes + 1)) | |
self._uvars = vertical_vars or self.valid_vertical_vars | |
self._level = levels or self.valid_levels | |
self._svars = surface_vars or self.valid_surface_vars | |
self._sstat = static_surface_vars or self.valid_static_surface_vars | |
self._nuvars = len(self._uvars) | |
self._nlevel = len(self._level) | |
self._nsvars = len(self._svars) | |
self._nsstat = len(self._sstat) | |
self.rtype = rtype | |
self.dtype = dtype | |
self.positional_encoding = positional_encoding | |
self._data_path_surface = Path(data_path_surface) | |
self._data_path_vertical = Path(data_path_vertical) | |
self.dir_exists(self._data_path_surface) | |
self.dir_exists(self._data_path_vertical) | |
self._get_coordinates() | |
self._climatology_path_surface = Path(climatology_path_surface) or None | |
self._climatology_path_vertical = ( | |
Path(climatology_path_vertical) or None | |
) | |
self._require_clim = ( | |
self._climatology_path_surface is not None | |
and self._climatology_path_vertical is not None | |
) | |
if self._require_clim: | |
self.dir_exists(self._climatology_path_surface) | |
self.dir_exists(self._climatology_path_vertical) | |
elif ( | |
climatology_path_surface is None | |
and climatology_path_vertical is None | |
): | |
self._climatology_path_surface = None | |
self._climatology_path_vertical = None | |
else: | |
raise ValueError( | |
"Either both or neither of" | |
"`climatology_path_surface` and" | |
"`climatology_path_vertical` should be None." | |
) | |
if not set(self._svars).issubset(set(self.valid_surface_vars)): | |
raise ValueError("Invalid surface variable.") | |
if not set(self._sstat).issubset(set(self.valid_static_surface_vars)): | |
raise ValueError("Invalid static surface variable.") | |
if not set(self._uvars).issubset(set(self.valid_vertical_vars)): | |
raise ValueError("Inalid vertical variable.") | |
if not set(self._level).issubset(set(self.valid_levels)): | |
raise ValueError("Invalid level.") | |
def dir_exists(path: Path) -> None: | |
if not path.is_dir(): | |
raise ValueError(f"Directory {path} does not exist.") | |
def upper_shape(self) -> tuple: | |
"""Returns the vertical variables shape | |
Returns: | |
tuple: vertical variable shape in the following order:: | |
[VAR, LEV, TIME, LAT, LON] | |
""" | |
return self._nuvars, self._nlevel, 2, 361, 576 | |
def surface_shape(self) -> tuple: | |
"""Returns the surface variables shape | |
Returns: | |
tuple: surafce shape in the following order:: | |
[VAR, LEV, TIME, LAT, LON] | |
""" | |
return self._nsvars, 2, 361, 576 | |
def data_file_surface(self, timestamp: pd.Timestamp) -> Path: | |
"""Build the surfcae data file name based on timestamp | |
Args: | |
timestamp: a timestamp | |
Returns: | |
Path: constructed path | |
""" | |
pattern = "MERRA2_sfc_%Y%m%d.nc" | |
data_file = self._data_path_surface / timestamp.strftime(pattern) | |
return data_file | |
def data_file_vertical(self, timestamp: pd.Timestamp) -> Path: | |
"""Build the vertical data file name based on timestamp | |
Args: | |
timestamp: a timestamp | |
Returns: | |
Path: constructed path | |
""" | |
pattern = "MERRA_pres_%Y%m%d.nc" | |
data_file = self._data_path_vertical / timestamp.strftime(pattern) | |
return data_file | |
def data_file_surface_climate( | |
self, | |
timestamp: pd.Timestamp | None = None, | |
dayofyear: int | None = None, | |
hourofday: int | None = None, | |
) -> Path: | |
""" | |
Returns the path to a climatology file based either on a timestamp or | |
the dayofyear / hourofday combination. | |
Args: | |
timestamp: A timestamp. | |
dayofyear: Day of the year. 1 to 366. | |
hourofday: Hour of the day. 0 to 23. | |
Returns: | |
Path: Path to climatology file. | |
""" | |
if timestamp is not None and ( | |
(dayofyear is not None) or (hourofday is not None) | |
): | |
raise ValueError( | |
"Provide either timestamp or both dayofyear and hourofday." | |
) | |
if timestamp is not None: | |
dayofyear = min(timestamp.dayofyear, 365) | |
hourofday = timestamp.hour | |
file_name = f"climate_surface_doy{dayofyear:03}_hour{hourofday:02}.nc" | |
data_file = self._climatology_path_surface / file_name | |
return data_file | |
def data_file_vertical_climate( | |
self, | |
timestamp: pd.Timestamp | None = None, | |
dayofyear: int | None = None, | |
hourofday: int | None = None, | |
) -> Path: | |
"""Returns the path to a climatology file based either on a timestamp | |
or the dayofyear / hourofday combination. | |
Args: | |
timestamp: A timestamp. dayofyear: Day of the year. 1 to 366. | |
hourofday: Hour of the day. 0 to 23. | |
Returns: | |
Path: Path to climatology file. | |
""" | |
if timestamp is not None and ( | |
(dayofyear is not None) or (hourofday is not None) | |
): | |
raise ValueError( | |
"Provide either timestamp or both dayofyear and hourofday." | |
) | |
if timestamp is not None: | |
dayofyear = min(timestamp.dayofyear, 365) | |
hourofday = timestamp.hour | |
file_name = f"climate_vertical_doy{dayofyear:03}_hour{hourofday:02}.nc" | |
data_file = self._climatology_path_vertical / file_name | |
return data_file | |
def _get_coordinates(self) -> None: | |
""" | |
Obtains the coordiantes (latitudes and longitudes) from a single data | |
file. | |
""" | |
timestamp = next(iter(self.valid_timestamps)) | |
file = self.data_file_surface(timestamp) | |
with h5py.File(file, "r", libver="latest") as handle: | |
self.lats = lats = handle["lat"][()].astype(self.rtype) | |
self.lons = lons = handle["lon"][()].astype(self.rtype) | |
deg_to_rad = np.pi / 180 | |
self._embed_lat = np.sin(lats * deg_to_rad).reshape(-1, 1) | |
self._embed_lon = np.empty((2, 1, len(lons)), dtype=self.rtype) | |
self._embed_lon[0, 0] = np.cos(lons * deg_to_rad) | |
self._embed_lon[1, 0] = np.sin(lons * deg_to_rad) | |
def lats(self) -> np.ndarray: | |
timestamp = next(iter(self.valid_timestamps)) | |
file = self.data_file_surface(timestamp) | |
with h5py.File(file, "r", libver="latest") as handle: | |
return handle["lat"][()].astype(self.rtype) | |
def lons(self) -> np.ndarray: | |
timestamp = next(iter(self.valid_timestamps)) | |
file = self.data_file_surface(timestamp) | |
with h5py.File(file, "r", libver="latest") as handle: | |
return handle["lon"][()].astype(self.rtype) | |
def position_signal(self) -> np.ndarray: | |
"""Generates the "position signal" that is part of the static | |
features. | |
Returns: | |
Tensor: Torch tensor of dimension (parameter, lat, lon) containing | |
sin(lat), cos(lon), sin(lon). | |
""" | |
latitudes, longitudes = np.meshgrid( | |
self.lats, self.lons, indexing="ij" | |
) | |
if self.positional_encoding == "absolute": | |
latitudes = latitudes / 360 * 2.0 * np.pi | |
longitudes = longitudes / 360 * 2.0 * np.pi | |
sur_static = np.stack( | |
[np.sin(latitudes), np.cos(longitudes), np.sin(longitudes)], | |
axis=0, | |
) | |
else: | |
sur_static = np.stack([latitudes, longitudes], axis=0) | |
sur_static = sur_static.astype(self.rtype) | |
return sur_static | |
def valid_timestamps(self) -> set[pd.Timestamp]: | |
"""Generates list of valid timestamps based on available files. Only | |
timestamps for which both surface and vertical information is available | |
are considered valid. | |
Returns: | |
list: list of timestamps | |
""" | |
s_glob = self._data_path_surface.glob("MERRA2_sfc_????????.nc") | |
s_files = [os.path.basename(f) for f in s_glob] | |
v_glob = self._data_path_surface.glob("MERRA_pres_????????.nc") | |
v_files = [os.path.basename(f) for f in v_glob] | |
s_re = re.compile(r"MERRA2_sfc_(\d{8}).nc\Z") | |
v_re = re.compile(r"MERRA_pres_(\d{8}).nc\Z") | |
fmt = "%Y%m%d" | |
s_times = { | |
(datetime.strptime(m[1], fmt)) | |
for f in s_files | |
if (m := s_re.match(f)) | |
} | |
v_times = { | |
(datetime.strptime(m[1], fmt)) | |
for f in v_files | |
if (m := v_re.match(f)) | |
} | |
times = s_times.intersection(v_times) | |
# Each file contains a day at 3 hour intervals | |
times = { | |
t + timedelta(hours=i) for i in range(0, 24, 3) for t in times | |
} | |
start_time, end_time = self.time_range | |
times = {pd.Timestamp(t) for t in times if start_time <= t <= end_time} | |
return times | |
def valid_climate_timestamps(self) -> set[tuple[int, int]]: | |
"""Generates list of "timestamps" (dayofyear, hourofday) for which | |
climatology data is present. Only instances for which surface and | |
vertical data is available are considered valid. | |
Returns: | |
list: List of tuples describing valid climatology instances. | |
""" | |
if not self._require_clim: | |
return set() | |
s_glob = self._climatology_path_surface.glob( | |
"climate_surface_doy???_hour??.nc" | |
) | |
s_files = [os.path.basename(f) for f in s_glob] | |
v_glob = self._climatology_path_vertical.glob( | |
"climate_vertical_doy???_hour??.nc" | |
) | |
v_files = [os.path.basename(f) for f in v_glob] | |
s_re = re.compile(r"climate_surface_doy(\d{3})_hour(\d{2}).nc\Z") | |
v_re = re.compile(r"climate_vertical_doy(\d{3})_hour(\d{2}).nc\Z") | |
s_times = { | |
(int(m[1]), int(m[2])) for f in s_files if (m := s_re.match(f)) | |
} | |
v_times = { | |
(int(m[1]), int(m[2])) for f in v_files if (m := v_re.match(f)) | |
} | |
times = s_times.intersection(v_times) | |
return times | |
def _data_available(self, spec: SampleSpec) -> bool: | |
""" | |
Checks whether data is available for a given SampleSpec object. Does so | |
using the internal sets with available data previously constructed. Not | |
by checking the file system. | |
Args: | |
spec: SampleSpec object as returned by SampleSpec.get | |
Returns: | |
bool: if data is availability. | |
""" | |
valid = set(spec.times).issubset(self.valid_timestamps) | |
if self._require_clim: | |
sci = spec.climatology_info | |
ci = set(sci) if isinstance(sci, list) else set([sci]) # noqa: C405 | |
valid &= ci.issubset(self.valid_climate_timestamps) | |
return valid | |
def samples(self) -> list[tuple[pd.Timestamp, int, int]]: | |
""" | |
Generates list of all valid samlpes. | |
Returns: | |
list: List of tuples (timestamp, input time, lead time). | |
""" | |
valid_samples = [] | |
dts = [(it, lt) for it in self.input_times for lt in self.lead_times] | |
for timestamp in sorted(self.valid_timestamps): | |
timestamp_samples = [] | |
for it, lt in dts: | |
spec = SampleSpec.get(timestamp, -it, lt) | |
if self._data_available(spec): | |
timestamp_samples.append((timestamp, it, lt)) | |
if timestamp_samples: | |
valid_samples.append(timestamp_samples) | |
return valid_samples | |
def _to_torch( | |
self, | |
data: dict[str, Tensor | list[Tensor]], | |
dtype: torch.dtype = torch.float32, | |
) -> dict[str, Tensor | list[Tensor]]: | |
out = {} | |
for k, v in data.items(): | |
if isinstance(v, list): | |
out[k] = [torch.from_numpy(x).to(dtype) for x in v] | |
else: | |
out[k] = torch.from_numpy(v).to(dtype) | |
return out | |
def _lat_roll( | |
self, data: dict[str, Tensor | list[Tensor]], n: int | |
) -> dict[str, Tensor | list[Tensor]]: | |
out = {} | |
for k, v in data.items(): | |
if isinstance(v, list): | |
out[k] = [torch.roll(x, shifts=n, dims=-1) for x in v] | |
else: | |
out[k] = torch.roll(v, shifts=n, dims=-1) | |
return out | |
def _read_static_data( | |
self, file: str | Path, doy: int, hod: int | |
) -> np.ndarray: | |
with h5py.File(file, "r", libver="latest") as handle: | |
lats_surf = handle["lat"] | |
lons_surf = handle["lon"] | |
nll = (len(lats_surf), len(lons_surf)) | |
npos = len(self.position_signal) | |
ntime = 4 | |
nstat = npos + ntime + self._nsstat | |
data = np.empty((nstat, *nll), dtype=self.rtype) | |
for i, key in enumerate(self._sstat, start=npos + ntime): | |
data[i] = handle[key][()].astype(dtype=self.rtype) | |
# [possition signal], cos(doy), sin(doy), cos(hod), sin(hod) | |
data[0:npos] = self.position_signal | |
data[npos + 0] = np.cos(2 * np.pi * doy / 366) | |
data[npos + 1] = np.sin(2 * np.pi * doy / 366) | |
data[npos + 2] = np.cos(2 * np.pi * hod / 24) | |
data[npos + 3] = np.sin(2 * np.pi * hod / 24) | |
return data | |
def _read_surface( | |
self, tidx: int, nll: tuple[int, int], handle: h5py.File | |
) -> np.ndarray: | |
data = np.empty((self._nsvars, *nll), dtype=self.rtype) | |
for i, key in enumerate(self._svars): | |
data[i] = handle[key][tidx][()].astype(dtype=self.rtype) | |
return data | |
def _read_levels( | |
self, tidx: int, nll: tuple[int, int], handle: h5py.File | |
) -> np.ndarray: | |
lvls = handle["lev"][()] | |
lidx = self._level_idxs(lvls) | |
data = np.empty((self._nuvars, self._nlevel, *nll), dtype=self.rtype) | |
for i, key in enumerate(self._uvars): | |
data[i] = handle[key][tidx, lidx][()].astype(dtype=self.rtype) | |
return np.ascontiguousarray(np.flip(data, axis=1)) | |
def _level_idxs(self, lvls): | |
lidx = [np.argwhere(lvls == int(lvl)).item() for lvl in self._level] | |
return sorted(lidx) | |
def _date_to_tidx(date: datetime | pd.Timestamp, handle: h5py.File) -> int: | |
if isinstance(date, pd.Timestamp): | |
date = date.to_pydatetime() | |
time = handle["time"] | |
t0 = time.attrs["begin_time"][()].item() | |
d0 = f"{time.attrs['begin_date'][()].item()}" | |
offset = datetime.strptime(d0, "%Y%m%d") | |
times = [offset + timedelta(minutes=int(t + t0)) for t in time[()]] | |
return times.index(date) | |
def _read_data( | |
self, file_pair: tuple[str, str], date: datetime | |
) -> dict[str, np.ndarray]: | |
s_file, v_file = file_pair | |
with h5py.File(s_file, "r", libver="latest") as shandle: | |
lats_surf = shandle["lat"] | |
lons_surf = shandle["lon"] | |
nll = (len(lats_surf), len(lons_surf)) | |
tidx = self._date_to_tidx(date, shandle) | |
sdata = self._read_surface(tidx, nll, shandle) | |
with h5py.File(v_file, "r", libver="latest") as vhandle: | |
lats_vert = vhandle["lat"] | |
lons_vert = vhandle["lon"] | |
nll = (len(lats_vert), len(lons_vert)) | |
tidx = self._date_to_tidx(date, vhandle) | |
vdata = self._read_levels(tidx, nll, vhandle) | |
data = {"vert": vdata, "surf": sdata} | |
return data | |
def _read_climate( | |
self, file_pair: tuple[str, str] | |
) -> dict[str, np.ndarray]: | |
s_file, v_file = file_pair | |
with h5py.File(s_file, "r", libver="latest") as shandle: | |
lats_surf = shandle["lat"] | |
lons_surf = shandle["lon"] | |
nll = (len(lats_surf), len(lons_surf)) | |
sdata = np.empty((self._nsvars, *nll), dtype=self.rtype) | |
for i, key in enumerate(self._svars): | |
sdata[i] = shandle[key][()].astype(dtype=self.rtype) | |
with h5py.File(v_file, "r", libver="latest") as vhandle: | |
lats_vert = vhandle["lat"] | |
lons_vert = vhandle["lon"] | |
nll = (len(lats_vert), len(lons_vert)) | |
lvls = vhandle["lev"][()] | |
lidx = self._level_idxs(lvls) | |
vdata = np.empty( | |
(self._nuvars, self._nlevel, *nll), dtype=self.rtype | |
) | |
for i, key in enumerate(self._uvars): | |
vdata[i] = vhandle[key][lidx][()].astype(dtype=self.rtype) | |
data = { | |
"vert": np.ascontiguousarray(np.flip(vdata, axis=1)), | |
"surf": sdata, | |
} | |
return data | |
def get_data_from_sample_spec( | |
self, spec: SampleSpec | |
) -> dict[str, Tensor | int | float]: | |
"""Loads and assembles sample data given a SampleSpec object. | |
Args: | |
spec (SampleSpec): Full details regarding the data to be loaded | |
Returns: | |
dict: Dictionary with the following keys:: | |
'sur_static': Torch tensor of shape [parameter, lat, lon]. For | |
each pixel (lat, lon), the first 7 dimensions index sin(lat), | |
cos(lon), sin(lon), cos(doy), sin(doy), cos(hod), sin(hod). | |
Where doy is the day of the year [1, 366] and hod the hour of | |
the day [0, 23]. | |
'sur_vals': Torch tensor of shape [parameter, time, lat, lon]. | |
'sur_tars': Torch tensor of shape [parameter, time, lat, lon]. | |
'ulv_vals': Torch tensor of shape [parameter, level, time, lat, lon]. | |
'ulv_tars': Torch tensor of shape [parameter, level, time, lat, lon]. | |
'sur_climate': Torch tensor of shape [parameter, lat, lon]. | |
'ulv_climate': Torch tensor of shape [paramter, level, lat, lon]. | |
'lead_time': Float. | |
'input_time': Float. | |
""" # noqa: E501 | |
# We assemble the unique timestamps for which we need data. | |
vals_required = {*spec.times} | |
stat_required = {*spec.stat_times} | |
# We assemble the unique data files from which we need value data | |
vals_file_map = defaultdict(list) | |
for t in vals_required: | |
data_files = ( | |
self.data_file_surface(t), | |
self.data_file_vertical(t), | |
) | |
vals_file_map[data_files].append(t) | |
# We assemble the unique data files from which we need static data | |
stat_file_map = defaultdict(list) | |
for t in stat_required: | |
data_files = ( | |
self.data_file_surface(t), | |
self.data_file_vertical(t), | |
) | |
stat_file_map[data_files].append(t) | |
# Load the value data | |
data = {} | |
for data_files, times in vals_file_map.items(): | |
for time in times: | |
data[time] = self._read_data(data_files, time) | |
# Combine times | |
sample_data = {} | |
input_upl = np.stack([data[t]["vert"] for t in spec.inputs], axis=2) | |
sample_data["ulv_vals"] = input_upl | |
target_upl = data[spec.target]["vert"] | |
sample_data["ulv_tars"] = target_upl[:, :, None] | |
input_sur = np.stack([data[t]["surf"] for t in spec.inputs], axis=1) | |
sample_data["sur_vals"] = input_sur | |
target_sur = data[spec.target]["surf"] | |
sample_data["sur_tars"] = target_sur[:, None] | |
# Load the static data | |
data_files, times = stat_file_map.popitem() | |
time = times[0].dayofyear, times[0].hour | |
sample_data["sur_static"] = self._read_static_data( | |
data_files[0], *time | |
) | |
# If required load the surface data | |
if self._require_clim: | |
ci_year, ci_hour = spec.climatology_info | |
surf_file = self.data_file_surface_climate( | |
dayofyear=ci_year, | |
hourofday=ci_hour, | |
) | |
vert_file = self.data_file_vertical_climate( | |
dayofyear=ci_year, | |
hourofday=ci_hour, | |
) | |
clim_data = self._read_climate((surf_file, vert_file)) | |
sample_data["sur_climate"] = clim_data["surf"] | |
sample_data["ulv_climate"] = clim_data["vert"] | |
# Move the data from numpy to torch | |
sample_data = self._to_torch(sample_data, dtype=self.dtype) | |
# Optionally roll | |
if len(self._roll_longitudes) > 0: | |
roll_by = random.choice(self._roll_longitudes) | |
sample_data = self._lat_roll(sample_data, roll_by) | |
# Now that we have rolled, we can add the static data | |
sample_data["lead_time"] = spec.lead_time | |
sample_data["input_time"] = spec.input_time | |
return sample_data | |
def get_data( | |
self, timestamp: pd.Timestamp, input_time: int, lead_time: int | |
) -> dict[str, Tensor | int]: | |
""" | |
Loads data based on timestamp and lead time. | |
Args: | |
timestamp: Timestamp. | |
input_time: time between input samples. | |
lead_time: lead time. | |
Returns: | |
Dictionary with keys 'sur_static', 'sur_vals', 'sur_tars', | |
'ulv_vals', 'ulv_tars', 'sur_climate', 'ulv_climate', | |
'lead_time'. | |
""" | |
spec = SampleSpec.get(timestamp, -input_time, lead_time) | |
sample_data = self.get_data_from_sample_spec(spec) | |
return sample_data | |
def __getitem__(self, idx: int) -> dict[str, Tensor | int]: | |
""" | |
Loads data based on sample index and random choice of sample. | |
Args: | |
idx: Sample index. | |
Returns: | |
Dictionary with keys 'sur_static', 'sur_vals', 'sur_tars', | |
'ulv_vals', 'ulv_tars', 'sur_climate', 'ulv_climate', | |
'lead_time', 'input_time'. | |
""" | |
sample_set = self.samples[idx] | |
timestamp, input_time, lead_time, *nsteps = random.choice(sample_set) | |
sample_data = self.get_data(timestamp, input_time, lead_time) | |
return sample_data | |
def __len__(self): | |
return len(self.samples) | |
from functools import cached_property | |
from importlib.metadata import version | |
from torch import Tensor | |
from torch.utils.checkpoint import checkpoint | |
if version("torch") > "2.3.0": | |
from torch.nn.attention import SDPBackend, sdpa_kernel | |
import numpy as np | |
import torch | |
import torch.nn as nn | |
import torch.nn.functional as F | |
# DropPath code is straight from timm | |
# (https://huggingface.co/spaces/Roll20/pet_score/blame/main/lib/timm/models/layers/drop.py) | |
def drop_path( | |
x: Tensor, | |
drop_prob: float = 0.0, | |
training: bool = False, | |
scale_by_keep: bool = True, | |
) -> Tensor: | |
"""Drop paths (Stochastic Depth) per sample (when applied in main path of | |
residual blocks). Taken form timm. | |
Args: | |
x (Tensor): Input tensor. | |
drop_prob (float): Probability of dropping `x`, defaults to 0. | |
training (bool): Whether model is in in traingin of eval mode, | |
defaults to False. | |
scale_by_keep (bool): Whether the output should scaled by | |
(`1 - drop_prob`), defaults to True. | |
Returns: | |
Tensor: Tensor that may have randomly dropped with proability | |
`drop_path` | |
""" | |
if drop_prob == 0.0 or not training: | |
return x | |
keep_prob = 1 - drop_prob | |
shape = (x.shape[0],) + (1,) * (x.ndim - 1) | |
random_tensor = x.new_empty(shape).bernoulli_(keep_prob) | |
if keep_prob > 0.0 and scale_by_keep: | |
random_tensor.div_(keep_prob) | |
return x * random_tensor | |
class DropPath(nn.Module): | |
""" | |
Drop paths (Stochastic Depth) per sample (when applied in main path of | |
residual blocks). | |
""" | |
def __init__( | |
self, drop_prob: float | None = None, scale_by_keep: bool = True | |
) -> None: | |
super(DropPath, self).__init__() | |
self.drop_prob = drop_prob | |
self.scale_by_keep = scale_by_keep | |
def forward(self, x: Tensor) -> Tensor: | |
"""Runs drop path on input tensor | |
Args: | |
x: input | |
Returns: | |
tensor: output after drop_path | |
""" | |
return drop_path(x, self.drop_prob, self.training, self.scale_by_keep) | |
class Mlp(nn.Module): | |
""" | |
Multi layer perceptron. | |
""" | |
def __init__( | |
self, features: int, hidden_features: int, dropout: float = 0.0 | |
) -> None: | |
""" | |
Args: | |
features: Input/output dimension. | |
hidden_features: Hidden dimension. | |
dropout: Dropout. | |
""" | |
super().__init__() | |
self.net = nn.Sequential( | |
nn.Linear(features, hidden_features), | |
nn.GELU(), | |
nn.Dropout(dropout), | |
nn.Linear(hidden_features, features), | |
nn.Dropout(dropout), | |
) | |
def forward(self, x: Tensor) -> Tensor: | |
""" | |
Args: | |
x (Tesnor): Tensor of shape [..., channel] | |
Returns: | |
Tenosr: Tensor of same shape as x. | |
""" | |
return self.net(x) | |
class LayerNormPassThrough(nn.LayerNorm): | |
"""Normalising layer that allows the attention mask to be passed through""" | |
def __init__(self, *args, **kwargs): | |
super().__init__(*args, **kwargs) | |
def forward( | |
self, d: tuple[Tensor, Tensor | None] | |
) -> tuple[Tensor, Tensor | None]: | |
"""Forwards function | |
Args: | |
d (tuple): tuple of the data tensor and the attention mask | |
Returns: | |
output (Tensor): normalised output data | |
attn_mask (Tensor): the attention mask that was passed in | |
""" | |
input, attn_mask = d | |
output = F.layer_norm( | |
input, self.normalized_shape, self.weight, self.bias, self.eps | |
) | |
return output, attn_mask | |
class MultiheadAttention(nn.Module): | |
"""Multihead attention layer for inputs of shape | |
[..., sequence, features]. | |
""" | |
def __init__(self, features: int, n_heads: int, dropout: float) -> None: | |
""" | |
Args: | |
features: Number of features for inputs to the layer. | |
n_heads: Number of attention heads. Should be a factor of features. | |
(I.e. the layer uses features // n_heads.) | |
dropout: Dropout. | |
""" # noqa: E501 | |
super().__init__() | |
if (features % n_heads) != 0: | |
raise ValueError( | |
f"Features '{features}' is not divisible by heads '{n_heads}'." | |
) | |
self.features = features | |
self.n_heads = n_heads | |
self.dropout = dropout | |
self.qkv_layer = torch.nn.Linear(features, features * 3, bias=False) | |
self.w_layer = torch.nn.Linear(features, features, bias=False) | |
def forward(self, d: tuple[Tensor, Tensor | None]) -> Tensor: | |
""" | |
Args: | |
d (tuple): tuple containing Tensor of shape [..., sequence, features] and the attention mask | |
Returns: | |
Tensor: Tensor of shape [..., sequence, features] | |
""" # noqa: E501 | |
x, attn_mask = d | |
if not x.shape[-1] == self.features: | |
raise ValueError( | |
f"Expecting tensor with last dimension size {self.features}." | |
) | |
passenger_dims = x.shape[:-2] | |
B = passenger_dims.numel() | |
S = x.shape[-2] | |
C = x.shape[-1] | |
x = x.reshape(B, S, C) | |
# x [B, S, C] | |
# q, k, v [B, H, S, C/H] | |
q, k, v = ( | |
self.qkv_layer(x) | |
.view(B, S, self.n_heads, 3 * (C // self.n_heads)) | |
.transpose(1, 2) | |
.chunk(chunks=3, dim=3) | |
) | |
# Let us enforce either flash (A100+) or memory efficient attention. | |
if version("torch") > "2.3.0": | |
with sdpa_kernel( | |
[SDPBackend.FLASH_ATTENTION, SDPBackend.EFFICIENT_ATTENTION] | |
): | |
# x [B, H, S, C//H] | |
x = F.scaled_dot_product_attention( | |
q, k, v, attn_mask=attn_mask, dropout_p=self.dropout | |
) | |
else: | |
with torch.backends.cuda.sdp_kernel( | |
enable_flash=True, enable_math=False, enable_mem_efficient=True | |
): | |
# x [B, H, S, C//H] | |
x = F.scaled_dot_product_attention( | |
q, k, v, dropout_p=self.dropout | |
) | |
# x [B, S, C] | |
x = x.transpose(1, 2).view(B, S, C) | |
# x [B, S, C] | |
x = self.w_layer(x) | |
# Back to input shape | |
x = x.view(*passenger_dims, S, self.features) | |
return x | |
class Transformer(nn.Module): | |
""" | |
Transformer for inputs of shape [..., S, features]. | |
""" | |
def __init__( | |
self, | |
features: int, | |
mlp_multiplier: int, | |
n_heads: int, | |
dropout: float, | |
drop_path: float, | |
) -> None: | |
""" | |
Args: | |
features: Number of features for inputs to the layer. | |
mlp_multiplier: Model uses features*mlp_multiplier hidden units. | |
n_heads: Number of attention heads. Should be a factor of features. | |
(I.e. the layer uses features // n_heads.) dropout: Dropout. | |
drop_path: DropPath. | |
""" | |
super().__init__() | |
self.features = features | |
self.mlp_multiplier = mlp_multiplier | |
self.n_heads = n_heads | |
self.dropout = dropout | |
self.drop_path = ( | |
DropPath(drop_path) if drop_path > 0.0 else nn.Identity() | |
) | |
self.attention = nn.Sequential( | |
LayerNormPassThrough(features), | |
MultiheadAttention(features, n_heads, dropout), | |
) | |
self.ff = nn.Sequential( | |
nn.LayerNorm(features), | |
Mlp( | |
features=features, | |
hidden_features=features * mlp_multiplier, | |
dropout=dropout, | |
), | |
) | |
def forward(self, d: tuple[Tensor, Tensor | None]) -> Tensor: | |
""" | |
Args: | |
x: Tensor of shape [..., sequence, features] | |
Returns: | |
Tensor: Tensor of shape [..., sequence, features] | |
""" | |
x, attn_mask = d | |
if not x.shape[-1] == self.features: | |
raise ValueError( | |
f"Expecting tensor with last dimension size {self.features}." | |
) | |
attention_x = self.attention(d) | |
x = x + self.drop_path(attention_x) | |
x = x + self.drop_path(self.ff(x)) | |
return x | |
class _Shift(nn.Module): | |
"""Private base class for the shifter. This allows some behaviour to be | |
easily handled when the shifter isn't used. | |
""" | |
def __init__(self): | |
super().__init__() | |
self._shifted = False | |
def reset(self) -> None: | |
""" | |
Resets the bool tracking whether the data is shifted | |
""" | |
self._shifted: bool = False | |
def forward(self, data: Tensor) -> tuple[Tensor, dict[bool, None]]: | |
return data, {True: None, False: None} | |
class SWINShift(_Shift): | |
""" | |
Handles the shifting of patches similar to how SWIN works. However if we | |
shift the latitudes then the poles will wrap and potentially that might be | |
problematic. The possition tokens should handle it but masking is safer. | |
""" | |
def __init__( | |
self, | |
mu_shape: tuple[int, int], | |
global_shape: tuple[int, int], | |
local_shape: tuple[int, int], | |
patch_shape: tuple[int, int], | |
n_context_tokens: int = 2, | |
) -> None: | |
""" | |
Args: | |
mu_shape: the shape to the masking units | |
global_shape: number of global patches in lat and lon | |
local_shape: size of the local patches | |
patch_shape: patch size | |
n_context_token: number of additional context tokens at start of | |
_each_ local sequence | |
""" | |
super().__init__() | |
self._mu_shape = ms = mu_shape | |
self._g_shape = gs = global_shape | |
self._l_shape = ls = local_shape | |
self._p_shape = ps = patch_shape | |
self._lat_patch = (gs[0], ls[0], gs[1], ls[1]) | |
self._n_context_tokens = n_context_tokens | |
self._g_shift_to = tuple( | |
int(0.5 * x / p) for x, p in zip(ms, ps, strict=False) | |
) | |
self._g_shift_from = tuple( | |
-int(0.5 * x / p) for x, p in zip(ms, ps, strict=False) | |
) | |
# Define the attention masks for the shifted MaxViT. | |
nglobal = global_shape[0] * global_shape[1] | |
nlocal = ( | |
local_shape[0] * local_shape[1] + self._n_context_tokens | |
) # "+ 1" for leadtime | |
lm = torch.ones((nglobal, 1, nlocal, nlocal), dtype=bool) | |
mwidth = int(0.5 * local_shape[1]) * local_shape[0] | |
lm[ | |
: gs[1], | |
:, | |
self._n_context_tokens : mwidth + self._n_context_tokens, | |
self._n_context_tokens : mwidth + self._n_context_tokens, | |
] = False | |
self.register_buffer("local_mask", lm) | |
gm = torch.ones((nlocal, 1, nglobal, nglobal), dtype=bool) | |
gm[: int(0.5 * ls[1]) * ls[0], :, : gs[1], : gs[1]] = False | |
self.register_buffer("global_mask", gm) | |
def _to_grid_global(self, x: Tensor) -> Tensor: | |
""" | |
Shuffle and reshape the data from the global/local setting back to the | |
lat/lon grid setting | |
Args: | |
x: the data tensor to be shuffled. | |
Returns: | |
x: data in the global/local setting | |
""" | |
nbatch, *other = x.shape | |
y1 = x.view(nbatch, *self._g_shape, *self._l_shape, -1) | |
y2 = y1.permute(0, 5, 1, 3, 2, 4).contiguous() | |
s = y2.shape | |
return y2.view((nbatch, -1, s[2] * s[3], s[4] * s[5])) | |
def _to_grid_local(self, x: Tensor) -> Tensor: | |
""" | |
Shuffle and reshape the data from the local/global setting to the | |
lat/lon grid setting | |
Args: | |
x: the data tensor to be shuffled. | |
Returns: | |
x: data in the lat/lon setting. | |
""" | |
x = x.transpose(2, 1).contiguous() | |
return self._to_grid_global(x) | |
def _from_grid_global(self, x: Tensor) -> Tensor: | |
""" | |
Shuffle and reshape the data from the lat/lon grid to the global/local | |
setting | |
Args: | |
x: the data tensor to be shuffled. | |
Returns: | |
x: data in the global/local setting | |
""" | |
nbatch, *other = x.shape | |
z1 = x.view(nbatch, -1, *self._lat_patch) | |
z2 = z1.permute(0, 2, 4, 3, 5, 1).contiguous() | |
s = z2.shape | |
return z2.view(nbatch, s[1] * s[2], s[3] * s[4], -1) | |
def _from_grid_local(self, x: Tensor) -> Tensor: | |
""" | |
Shuffle and reshape the data from the lat/lon grid to the local/global | |
setting | |
Args: | |
x: the data tensor to be shuffled. | |
Returns: | |
x: data in the local/global setting | |
""" | |
x = self._from_grid_global(x) | |
return x.transpose(2, 1).contiguous() | |
def _shift(self, x: Tensor) -> Tensor: | |
""" | |
Shifts data in the gridded lat/lon setting by half the mask unit shape | |
Args: | |
x: data to be shifted | |
Returns: | |
x: either the hsifted or unshifted data | |
""" | |
shift = self._g_shift_from if self._shifted else self._g_shift_to | |
x_shifted = torch.roll(x, shift, (-2, -1)) | |
self._shifted = not self._shifted | |
return x_shifted | |
def _sep_lt(self, x: Tensor) -> tuple[Tensor, Tensor]: | |
""" | |
Seperate off the leadtime from the local patches | |
Args: | |
x: data to have leadtime removed from | |
Returns: | |
lt: leadtime | |
x: data without the lead time in the local patch | |
""" | |
lt_it = x[:, : self._n_context_tokens, :, :] | |
x_stripped = x[:, self._n_context_tokens :, :, :] | |
return lt_it, x_stripped | |
def forward(self, data: Tensor) -> tuple[Tensor, Tensor]: | |
"""Shift or unshift the the data depending on whether the data is | |
already shifted, as defined by self._shifte. | |
Args: | |
data: data to be shifted | |
Returns: | |
Tensor: shifted data Tensor | |
""" | |
lt, x = self._sep_lt(data) | |
x_grid = self._to_grid_local(x) | |
x_shifted = self._shift(x_grid) | |
x_patched = self._from_grid_local(x_shifted) | |
# Mask has to be repeated based on batch size | |
n_batch = x_grid.shape[0] | |
local_rep = [n_batch] + [1] * (self.local_mask.ndim - 1) | |
global_rep = [n_batch] + [1] * (self.global_mask.ndim - 1) | |
if self._shifted: | |
attn_mask = { | |
True: self.local_mask.repeat(local_rep), | |
False: self.global_mask.repeat(global_rep), | |
} | |
else: | |
attn_mask = {True: None, False: None} | |
return torch.cat((lt, x_patched), axis=1), attn_mask | |
class LocalGlobalLocalBlock(nn.Module): | |
""" | |
Applies alternating block and grid attention. Given a parameter n_blocks, | |
the entire module contains 2*n_blocks+1 transformer blocks. The first, | |
third, ..., last apply local (block) attention. The second, fourth, ... | |
global (grid) attention. | |
This is heavily inspired by | |
Tu et al. "MaxViT: Multi-Axis Vision Transformer" | |
(https://arxiv.org/abs/2204.01697). | |
""" | |
def __init__( | |
self, | |
features: int, | |
mlp_multiplier: int, | |
n_heads: int, | |
dropout: float, | |
n_blocks: int, | |
drop_path: float, | |
shifter: nn.Module | None = None, | |
checkpoint: list[int] | None = None, | |
) -> None: | |
""" | |
Args: | |
features: Number of features for inputs to the layer. | |
mlp_multiplier: Model uses features*mlp_multiplier hidden units. | |
n_heads: Number of attention heads. Should be a factor of features. | |
(I.e. the layer uses features // n_heads.) | |
dropout: Dropout. | |
drop_path: DropPath. | |
n_blocks: Number of local-global transformer pairs. | |
""" | |
super().__init__() | |
self.features = features | |
self.mlp_multiplier = mlp_multiplier | |
self.n_heads = n_heads | |
self.dropout = dropout | |
self.drop_path = drop_path | |
self.n_blocks = n_blocks | |
self._checkpoint = checkpoint or [] | |
if not all(0 <= c < 2 * n_blocks + 1 for c in self._checkpoint): | |
raise ValueError( | |
"Checkpoints should be 0 <= i < 2*n_blocks+1. " | |
f"{self._checkpoint=}." | |
) | |
self.transformers = nn.ModuleList( | |
[ | |
Transformer( | |
features=features, | |
mlp_multiplier=mlp_multiplier, | |
n_heads=n_heads, | |
dropout=dropout, | |
drop_path=drop_path, | |
) | |
for _ in range(2 * n_blocks + 1) | |
] | |
) | |
self.evaluator = [ | |
self._checkpoint_wrapper | |
if i in self._checkpoint | |
else lambda m, x: m(x) | |
for i, _ in enumerate(self.transformers) | |
] | |
self.shifter = shifter or _Shift() | |
def _checkpoint_wrapper( | |
model: nn.Module, data: tuple[Tensor, Tensor | None] | |
) -> Tensor: | |
return checkpoint(model, data, use_reentrant=False) | |
def forward(self, x: Tensor) -> Tensor: | |
""" | |
Args: | |
x: Tensor of shape:: | |
[batch, global_sequence, local_sequence, features] | |
Returns: | |
Tensor: Tensor of shape:: | |
[batch, global_sequence, local_sequence, features] | |
""" | |
if x.shape[-1] != self.features: | |
raise ValueError( | |
f"Expecting tensor with last dimension size {self.features}." | |
) | |
if x.ndim != 4: | |
raise ValueError( | |
f"Expecting tensor with exactly four dimensions. {x.shape=}." | |
) | |
self.shifter.reset() | |
local: bool = True | |
attn_mask = {True: None, False: None} | |
transformer_iter = zip(self.evaluator, self.transformers, strict=False) | |
# First local block | |
evaluator, transformer = next(transformer_iter) | |
x = evaluator(transformer, (x, attn_mask[local])) | |
for evaluator, transformer in transformer_iter: | |
local = not local | |
# We are making exactly 2*n_blocks transposes. | |
# So the output has the same shape as input. | |
x = x.transpose(1, 2) | |
x = evaluator(transformer, (x, attn_mask[local])) | |
if not local: | |
x, attn_mask = self.shifter(x) | |
return x | |
class PatchEmbed(nn.Module): | |
""" | |
Patch embedding via 2D convolution. | |
""" | |
def __init__( | |
self, patch_size: int | tuple[int, ...], channels: int, embed_dim: int | |
): | |
super().__init__() | |
self.patch_size = patch_size | |
self.channels = channels | |
self.embed_dim = embed_dim | |
self.proj = nn.Conv2d( | |
channels, | |
embed_dim, | |
kernel_size=patch_size, | |
stride=patch_size, | |
bias=True, | |
) | |
def forward(self, x: Tensor) -> Tensor: | |
""" | |
Args: | |
x: Tensor of shape [batch, channels, lat, lon]. | |
Returns: | |
Tensor: Tensor with shape | |
[batch, embed_dim, lat//patch_size, lon//patch_size] | |
""" | |
H, W = x.shape[-2:] | |
if W % self.patch_size[1] != 0: | |
raise ValueError( | |
f"Cannot do patch embedding for tensor of shape {x.size()}" | |
" with patch size {self.patch_size}. (Dimensions are BSCHW.)" | |
) | |
if H % self.patch_size[0] != 0: | |
raise ValueError( | |
f"Cannot do patch embedding for tensor of shape {x.size()}" | |
f" with patch size {self.patch_size}. (Dimensions are BSCHW.)" | |
) | |
x = self.proj(x) | |
return x | |
class PrithviWxCEncoderDecoder(nn.Module): | |
""" | |
Hiera-MaxViT encoder/decoder code. | |
""" | |
def __init__( | |
self, | |
embed_dim: int, | |
n_blocks: int, | |
mlp_multiplier: float, | |
n_heads: int, | |
dropout: float, | |
drop_path: float, | |
shifter: nn.Module | None = None, | |
transformer_cp: list[int] | None = None, | |
) -> None: | |
""" | |
Args: | |
embed_dim: Embedding dimension | |
n_blocks: Number of local-global transformer pairs. | |
mlp_multiplier: MLP multiplier for hidden features in feed forward | |
networks. | |
n_heads: Number of attention heads. | |
dropout: Dropout. | |
drop_path: DropPath. | |
""" | |
super().__init__() | |
self.embed_dim = embed_dim | |
self.n_blocks = n_blocks | |
self.mlp_multiplier = mlp_multiplier | |
self.n_heads = n_heads | |
self.dropout = dropout | |
self._transformer_cp = transformer_cp | |
self.lgl_block = LocalGlobalLocalBlock( | |
features=embed_dim, | |
mlp_multiplier=mlp_multiplier, | |
n_heads=n_heads, | |
dropout=dropout, | |
drop_path=drop_path, | |
n_blocks=n_blocks, | |
shifter=shifter, | |
checkpoint=transformer_cp, | |
) | |
def forward(self, x: torch.Tensor) -> torch.Tensor: | |
""" | |
Args: | |
x: Tensor of shape | |
[batch, global sequence, local sequence, embed_dim] | |
Returns: | |
Tensor of shape | |
[batch, mask_unit_sequence, local_sequence, embed_dim]. | |
Identical in shape to the input x. | |
""" | |
x = self.lgl_block(x) | |
return x | |
class PrithviWxC(nn.Module): | |
"""Encoder-decoder fusing Hiera with MaxViT. See | |
- Ryali et al. "Hiera: A Hierarchical Vision Transformer without the | |
Bells-and-Whistles" (https://arxiv.org/abs/2306.00989) | |
- Tu et al. "MaxViT: Multi-Axis Vision Transformer" | |
(https://arxiv.org/abs/2204.01697) | |
""" | |
def __init__( | |
self, | |
in_channels: int, | |
input_size_time: int, | |
in_channels_static: int, | |
input_scalers_mu: Tensor, | |
input_scalers_sigma: Tensor, | |
input_scalers_epsilon: float, | |
static_input_scalers_mu: Tensor, | |
static_input_scalers_sigma: Tensor, | |
static_input_scalers_epsilon: float, | |
output_scalers: Tensor, | |
n_lats_px: int, | |
n_lons_px: int, | |
patch_size_px: tuple[int], | |
mask_unit_size_px: tuple[int], | |
mask_ratio_inputs: float, | |
embed_dim: int, | |
n_blocks_encoder: int, | |
n_blocks_decoder: int, | |
mlp_multiplier: float, | |
n_heads: int, | |
dropout: float, | |
drop_path: float, | |
parameter_dropout: float, | |
residual: str, | |
masking_mode: str, | |
positional_encoding: str, | |
decoder_shifting: bool = False, | |
checkpoint_encoder: list[int] | None = None, | |
checkpoint_decoder: list[int] | None = None, | |
) -> None: | |
""" | |
Args: | |
in_channels: Number of input channels. | |
input_size_time: Number of timestamps in input. | |
in_channels_static: Number of input channels for static data. | |
input_scalers_mu: Tensor of size (in_channels,). Used to rescale | |
input. | |
input_scalers_sigma: Tensor of size (in_channels,). Used to rescale | |
input. | |
input_scalers_epsilon: Float. Used to rescale input. | |
static_input_scalers_mu: Tensor of size (in_channels_static). Used | |
to rescale static inputs. | |
static_input_scalers_sigma: Tensor of size (in_channels_static). | |
Used to rescale static inputs. | |
static_input_scalers_epsilon: Float. Used to rescale static inputs. | |
output_scalers: Tensor of shape (in_channels,). Used to rescale | |
output. | |
n_lats_px: Total latitudes in data. In pixels. | |
n_lons_px: Total longitudes in data. In pixels. | |
patch_size_px: Patch size for tokenization. In pixels lat/lon. | |
mask_unit_size_px: Size of each mask unit. In pixels lat/lon. | |
mask_ratio_inputs: Masking ratio for inputs. 0 to 1. | |
embed_dim: Embedding dimension | |
n_blocks_encoder: Number of local-global transformer pairs in | |
encoder. | |
n_blocks_decoder: Number of local-global transformer pairs in | |
decoder. | |
mlp_multiplier: MLP multiplier for hidden features in feed forward | |
networks. | |
n_heads: Number of attention heads. | |
dropout: Dropout. | |
drop_path: DropPath. | |
parameter_dropout: Dropout applied to parameters. | |
residual: Indicates whether and how model should work as residual | |
model. Accepted values are 'climate', 'temporal' and 'none' | |
positional_encoding: possible values are | |
['absolute' (default), 'fourier']. | |
'absolute' lat lon encoded in 3 dimensions using sine and | |
cosine | |
'fourier' lat/lon to be encoded using various frequencies | |
masking_mode: String ['local', 'global', 'both'] that controls the | |
type of masking used. | |
checkpoint_encoder: List of integers controlling if gradient | |
checkpointing is used on encoder. | |
Format: [] for no gradient checkpointing. [3, 7] for | |
checkpointing after 4th and 8th layer etc. | |
checkpoint_decoder: List of integers controlling if gradient | |
checkpointing is used on decoder. | |
Format: See `checkpoint_encoder`. | |
masking_mode: The type of masking to use | |
{'global', 'local', 'both'} | |
decoder_shifting: Whether to use swin shifting in the decoder. | |
""" | |
super().__init__() | |
self.in_channels = in_channels | |
self.input_size_time = input_size_time | |
self.in_channels_static = in_channels_static | |
self.n_lats_px = n_lats_px | |
self.n_lons_px = n_lons_px | |
self.patch_size_px = patch_size_px | |
self.mask_unit_size_px = mask_unit_size_px | |
self.mask_ratio_inputs = mask_ratio_inputs | |
self.embed_dim = embed_dim | |
self.n_blocks_encoder = n_blocks_encoder | |
self.n_blocks_decoder = n_blocks_decoder | |
self.mlp_multiplier = mlp_multiplier | |
self.n_heads = n_heads | |
self.dropout = dropout | |
self.drop_path = drop_path | |
self.residual = residual | |
self._decoder_shift = decoder_shifting | |
self.positional_encoding = positional_encoding | |
self._checkpoint_encoder = checkpoint_encoder | |
self._checkpoint_decoder = checkpoint_decoder | |
assert self.n_lats_px % self.mask_unit_size_px[0] == 0 | |
assert self.n_lons_px % self.mask_unit_size_px[1] == 0 | |
assert self.mask_unit_size_px[0] % self.patch_size_px[0] == 0 | |
assert self.mask_unit_size_px[1] % self.patch_size_px[1] == 0 | |
if self.patch_size_px[0] != self.patch_size_px[1]: | |
raise NotImplementedError( | |
"Current pixel shuffle symmetric patches." | |
) | |
self.local_shape_mu = ( | |
self.mask_unit_size_px[0] // self.patch_size_px[0], | |
self.mask_unit_size_px[1] // self.patch_size_px[1], | |
) | |
self.global_shape_mu = ( | |
self.n_lats_px // self.mask_unit_size_px[0], | |
self.n_lons_px // self.mask_unit_size_px[1], | |
) | |
assert input_scalers_mu.shape == (in_channels,) | |
assert input_scalers_sigma.shape == (in_channels,) | |
assert output_scalers.shape == (in_channels,) | |
if self.positional_encoding != "fourier": | |
assert static_input_scalers_mu.shape == (in_channels_static,) | |
assert static_input_scalers_sigma.shape == (in_channels_static,) | |
# Input shape [batch, time, parameter, lat, lon] | |
self.input_scalers_epsilon = input_scalers_epsilon | |
self.register_buffer( | |
"input_scalers_mu", input_scalers_mu.reshape(1, 1, -1, 1, 1) | |
) | |
self.register_buffer( | |
"input_scalers_sigma", input_scalers_sigma.reshape(1, 1, -1, 1, 1) | |
) | |
# Static inputs shape [batch, parameter, lat, lon] | |
self.static_input_scalers_epsilon = static_input_scalers_epsilon | |
self.register_buffer( | |
"static_input_scalers_mu", | |
static_input_scalers_mu.reshape(1, -1, 1, 1), | |
) | |
self.register_buffer( | |
"static_input_scalers_sigma", | |
static_input_scalers_sigma.reshape(1, -1, 1, 1), | |
) | |
# Output shape [batch, parameter, lat, lon] | |
self.register_buffer( | |
"output_scalers", output_scalers.reshape(1, -1, 1, 1) | |
) | |
self.parameter_dropout = nn.Dropout2d(p=parameter_dropout) | |
self.patch_embedding = PatchEmbed( | |
patch_size=patch_size_px, | |
channels=in_channels * input_size_time, | |
embed_dim=embed_dim, | |
) | |
if self.residual == "climate": | |
self.patch_embedding_static = PatchEmbed( | |
patch_size=patch_size_px, | |
channels=in_channels + in_channels_static, | |
embed_dim=embed_dim, | |
) | |
else: | |
self.patch_embedding_static = PatchEmbed( | |
patch_size=patch_size_px, | |
channels=in_channels_static, | |
embed_dim=embed_dim, | |
) | |
self.input_time_embedding = nn.Linear(1, embed_dim // 4, bias=True) | |
self.lead_time_embedding = nn.Linear(1, embed_dim // 4, bias=True) | |
self.mask_token = nn.Parameter(torch.randn(1, 1, 1, self.embed_dim)) | |
self._nglobal_mu = np.prod(self.global_shape_mu) | |
self._global_idx = torch.arange(self._nglobal_mu) | |
self._nlocal_mu = np.prod(self.local_shape_mu) | |
self._local_idx = torch.arange(self._nlocal_mu) | |
self.encoder = PrithviWxCEncoderDecoder( | |
embed_dim=embed_dim, | |
n_blocks=n_blocks_encoder, | |
mlp_multiplier=mlp_multiplier, | |
n_heads=n_heads, | |
dropout=dropout, | |
drop_path=drop_path, | |
transformer_cp=checkpoint_encoder, | |
) | |
if n_blocks_decoder != 0: | |
if self._decoder_shift: | |
self.decoder_shifter = d_shifter = SWINShift( | |
self.mask_unit_size_px, | |
self.global_shape_mu, | |
self.local_shape_mu, | |
self.patch_size_px, | |
n_context_tokens=0, | |
) | |
else: | |
self.decoder_shifter = d_shifter = None | |
self.decoder = PrithviWxCEncoderDecoder( | |
embed_dim=embed_dim, | |
n_blocks=n_blocks_decoder, | |
mlp_multiplier=mlp_multiplier, | |
n_heads=n_heads, | |
dropout=dropout, | |
drop_path=0.0, | |
shifter=d_shifter, | |
transformer_cp=checkpoint_decoder, | |
) | |
self.unembed = nn.Linear( | |
self.embed_dim, | |
self.in_channels | |
* self.patch_size_px[0] | |
* self.patch_size_px[1], | |
bias=True, | |
) | |
self.masking_mode = masking_mode.lower() | |
match self.masking_mode: | |
case "local": | |
self.generate_mask = self._gen_mask_local | |
case "global": | |
self.generate_mask = self._gen_mask_global | |
case "both": | |
self._mask_both_local: bool = True | |
self.generate_mask = self._gen_mask_both | |
case _: | |
raise ValueError( | |
f"Masking mode '{masking_mode}' not supported" | |
) | |
def swap_masking(self) -> None: | |
self._mask_both_local = not self._mask_both_local | |
def n_masked_global(self): | |
return int(self.mask_ratio_inputs * np.prod(self.global_shape_mu)) | |
def n_masked_local(self): | |
return int(self.mask_ratio_inputs * np.prod(self.local_shape_mu)) | |
def _shuffle_along_axis(a, axis): | |
idx = torch.argsort(input=torch.rand(*a.shape), dim=axis) | |
return torch.gather(a, dim=axis, index=idx) | |
def _gen_mask_local(self, sizes: tuple[int]) -> tuple[Tensor]: | |
""" | |
Args: | |
batch_size: Number of elements in batch | |
Returns: | |
Tuple of torch tensors. [indices masked, indices unmasked]. | |
Each of these is a tensor of shape (batch, global sequene) | |
""" | |
# Identify which indices (values) should be masked | |
maskable_indices = self._local_idx.view(1, -1).expand(*sizes[:2], -1) | |
maskable_indices = self._shuffle_along_axis(maskable_indices, 2) | |
indices_masked = maskable_indices[:, :, : self.n_masked_local] | |
indices_unmasked = maskable_indices[:, :, self.n_masked_local :] | |
return indices_masked, indices_unmasked | |
def _gen_mask_global(self, sizes: tuple[int]) -> tuple[Tensor]: | |
""" | |
Args: | |
batch_size: Number of elements in batch | |
Returns: | |
Tuple of torch tensors. [indices masked, indices unmasked]. | |
Each of these is a tensor of shape (batch, global sequene) | |
""" | |
# Identify which indices (values) should be masked | |
maskable_indices = self._global_idx.view(1, -1).expand(*sizes[:1], -1) | |
maskable_indices = self._shuffle_along_axis(maskable_indices, 1) | |
indices_masked = maskable_indices[:, : self.n_masked_global] | |
indices_unmasked = maskable_indices[:, self.n_masked_global :] | |
return indices_masked, indices_unmasked | |
def _gen_mask_both(self, sizes: tuple[int]) -> tuple[Tensor]: | |
if self._mask_both_local: | |
return self._gen_mask_local(sizes) | |
else: | |
return self._gen_mask_global(sizes) | |
def reconstruct_batch( | |
idx_masked: Tensor, | |
idx_unmasked: Tensor, | |
data_masked: Tensor, | |
data_unmasked: Tensor, | |
) -> Tensor: | |
"""Reconstructs a tensor along the mask unit dimension. Batched | |
version. | |
Args: | |
idx_masked: Tensor of shape `batch, mask unit sequence`. | |
idx_unmasked: Tensor of shape `batch, mask unit sequence`. | |
data_masked: Tensor of shape `batch, mask unit sequence, ...`. | |
Should have same size along mask unit sequence dimension as | |
idx_masked. Dimensions beyond the first two, marked here as ... | |
will typically be `local_sequence, channel` or | |
`channel, lat, lon`. These dimensions should agree with | |
data_unmasked. | |
data_unmasked: Tensor of shape `batch, mask unit sequence, ...`. | |
Should have same size along mask unit sequence dimension as | |
idx_unmasked. Dimensions beyond the first two, marked here as | |
... will typically be `local_sequence, channel` or `channel, | |
lat, lon`. These dimensions should agree with data_masked. | |
Returns: | |
Tensor: Tensor of same shape as inputs data_masked and | |
data_unmasked. I.e. `batch, mask unit sequence, ...`. Index for | |
the total data composed of the masked and the unmasked part. | |
""" | |
dim: int = idx_masked.ndim | |
idx_total = torch.argsort( | |
torch.cat([idx_masked, idx_unmasked], dim=-1), dim=-1 | |
) | |
idx_total = idx_total.view( | |
*idx_total.shape, *[1] * (data_unmasked.ndim - dim) | |
) | |
idx_total = idx_total.expand( | |
*idx_total.shape[:dim], *data_unmasked.shape[dim:] | |
) | |
data = torch.cat([data_masked, data_unmasked], dim=dim - 1) | |
data = torch.gather(data, dim=dim - 1, index=idx_total) | |
return data, idx_total | |
def fourier_pos_encoding(self, x_static: Tensor) -> Tensor: | |
""" | |
Args | |
x_static: B x C x H x W. first two channels are lat, and lon | |
Returns | |
Tensor: Tensor of shape B x E x H x W where E is the embedding | |
dimension. | |
""" | |
# B x C x H x W -> B x 1 x H/P x W/P | |
latitudes_patch = F.avg_pool2d( | |
x_static[:, [0]], | |
kernel_size=self.patch_size_px, | |
stride=self.patch_size_px, | |
) | |
longitudes_patch = F.avg_pool2d( | |
x_static[:, [1]], | |
kernel_size=self.patch_size_px, | |
stride=self.patch_size_px, | |
) | |
modes = ( | |
torch.arange(self.embed_dim // 4, device=x_static.device).view( | |
1, -1, 1, 1 | |
) | |
+ 1.0 | |
) | |
pos_encoding = torch.cat( | |
( | |
torch.sin(latitudes_patch * modes), | |
torch.sin(longitudes_patch * modes), | |
torch.cos(latitudes_patch * modes), | |
torch.cos(longitudes_patch * modes), | |
), | |
axis=1, | |
) | |
return pos_encoding # B x E x H/P x W/P | |
def time_encoding(self, input_time, lead_time): | |
""" | |
Args: | |
input_time: Tensor of shape [batch]. | |
lead_time: Tensor of shape [batch]. | |
Returns: | |
Tensor: Tensor of shape [batch, embed_dim, 1, 1] | |
""" | |
input_time = self.input_time_embedding(input_time.view(-1, 1, 1, 1)) | |
lead_time = self.lead_time_embedding(lead_time.view(-1, 1, 1, 1)) | |
time_encoding = torch.cat( | |
( | |
torch.cos(input_time), | |
torch.cos(lead_time), | |
torch.sin(input_time), | |
torch.sin(lead_time), | |
), | |
axis=3, | |
) | |
return time_encoding | |
def to_patching(self, x: Tensor) -> Tensor: | |
"""Transform data from lat/lon space to two axis patching | |
Args: -> | |
x: Tesnor in lat/lon space (N, C, Nlat//P_0, Nlon//P_1) | |
Returns: | |
Tensor in patch space (N, G, L, C) | |
""" | |
n_batch = x.shape[0] | |
x = x.view( | |
n_batch, | |
-1, | |
self.global_shape_mu[0], | |
self.local_shape_mu[0], | |
self.global_shape_mu[1], | |
self.local_shape_mu[1], | |
) | |
x = x.permute(0, 2, 4, 3, 5, 1).contiguous() | |
s = x.shape | |
return x.view(n_batch, s[1] * s[2], s[3] * s[4], -1) | |
def from_patching(self, x: Tensor) -> Tensor: | |
"""Transform data from two axis patching to lat/lon space | |
Args: | |
x: Tensor in patch space with shape (N, G, L, C*P_0*P_1) | |
Returns: | |
Tensor: Tensor in lat/lon space | |
(N, C*P_0*P_1, Nlat//P_0, Nlon // P_1) | |
""" | |
n_batch = x.shape[0] | |
x = x.view( | |
n_batch, | |
self.global_shape_mu[0], | |
self.global_shape_mu[1], | |
self.local_shape_mu[0], | |
self.local_shape_mu[1], | |
-1, | |
) | |
x = x.permute(0, 5, 1, 3, 2, 4).contiguous() | |
s = x.shape | |
return x.view(n_batch, -1, s[2] * s[3], s[4] * s[5]) | |
def forward(self, batch: dict[str, torch.Tensor]) -> torch.Tensor: | |
""" | |
Args: | |
batch: Dictionary the following keys:: | |
'x': Tensor of shape [batch, time, parameter, lat, lon] | |
'y': Tensor of shape [batch, parameter, lat, lon] | |
'static': Tensor of shape [batch, channel_static, lat, lon] | |
'climate': Optional tensor of shape [batch, parameter, lat, lon] | |
'input_time': Tensor of shape [batch]. Or none. | |
'lead_time': Tensor of shape [batch]. Or none. | |
Returns: | |
Tensor: Tensor of shape [batch, parameter, lat, lon]. | |
""" # noqa: E501 | |
x_rescaled = (batch["x"] - self.input_scalers_mu) / ( | |
self.input_scalers_sigma + self.input_scalers_epsilon | |
) | |
batch_size = x_rescaled.shape[0] | |
if self.positional_encoding == "fourier": | |
x_static_pos = self.fourier_pos_encoding(batch["static"]) | |
x_static = ( | |
batch["static"][:, 2:] - self.static_input_scalers_mu[:, 3:] | |
) / ( | |
self.static_input_scalers_sigma[:, 3:] | |
+ self.static_input_scalers_epsilon | |
) | |
else: | |
x_static = (batch["static"] - self.static_input_scalers_mu) / ( | |
self.static_input_scalers_sigma | |
+ self.static_input_scalers_epsilon | |
) | |
if self.residual == "temporal": | |
# We create a residual of same shape as y | |
index = torch.where( | |
batch["lead_time"] > 0, batch["x"].shape[1] - 1, 0 | |
) | |
index = index.view(-1, 1, 1, 1, 1) | |
index = index.expand(batch_size, 1, *batch["x"].shape[2:]) | |
x_hat = torch.gather(batch["x"], dim=1, index=index) | |
x_hat = x_hat.squeeze(1) | |
elif self.residual == "climate": | |
climate_scaled = ( | |
batch["climate"] - self.input_scalers_mu.view(1, -1, 1, 1) | |
) / ( | |
self.input_scalers_sigma.view(1, -1, 1, 1) | |
+ self.input_scalers_epsilon | |
) | |
# [batch, time, parameter, lat, lon] | |
# -> [batch, time x parameter, lat, lon] | |
x_rescaled = x_rescaled.flatten(1, 2) | |
# Parameter dropout | |
x_rescaled = self.parameter_dropout(x_rescaled) | |
x_embedded = self.patch_embedding(x_rescaled) | |
if self.residual == "climate": | |
static_embedded = self.patch_embedding_static( | |
torch.cat((x_static, climate_scaled), dim=1) | |
) | |
else: | |
static_embedded = self.patch_embedding_static(x_static) | |
if self.positional_encoding == "fourier": | |
static_embedded += x_static_pos | |
x_embedded = self.to_patching(x_embedded) | |
static_embedded = self.to_patching(static_embedded) | |
time_encoding = self.time_encoding( | |
batch["input_time"], batch["lead_time"] | |
) | |
tokens = x_embedded + static_embedded + time_encoding | |
# Now we generate masks based on masking_mode | |
indices_masked, indices_unmasked = self.generate_mask( | |
(batch_size, self._nglobal_mu) | |
) | |
indices_masked = indices_masked.to(device=tokens.device) | |
indices_unmasked = indices_unmasked.to(device=tokens.device) | |
maskdim: int = indices_masked.ndim | |
# Unmasking | |
unmask_view = (*indices_unmasked.shape, *[1] * (tokens.ndim - maskdim)) | |
unmasked = torch.gather( | |
tokens, | |
dim=maskdim - 1, | |
index=indices_unmasked.view(*unmask_view).expand( | |
*indices_unmasked.shape, *tokens.shape[maskdim:] | |
), | |
) | |
# Encoder | |
x_encoded = self.encoder(unmasked) | |
# Generate and position encode the mask tokens | |
# [1, 1, 1, embed_dim] | |
# -> [batch, global_seq_masked, local seq, embed_dim] | |
mask_view = (*indices_masked.shape, *[1] * (tokens.ndim - maskdim)) | |
masking = self.mask_token.repeat(*static_embedded.shape[:3], 1) | |
masked = masking + static_embedded | |
masked = torch.gather( | |
masked, | |
dim=maskdim - 1, | |
index=indices_masked.view(*mask_view).expand( | |
*indices_masked.shape, *tokens.shape[maskdim:] | |
), | |
) | |
recon, _ = self.reconstruct_batch( | |
indices_masked, indices_unmasked, masked, x_encoded | |
) | |
x_decoded = self.decoder(recon) | |
# Output: [batch, global sequence, local sequence, | |
# in_channels * patch_size[0] * patch_size[1]] | |
x_unembed = self.unembed(x_decoded) | |
# Reshape to [batch, global_lat, global_lon, local_lat, local_lon, | |
# in_channels * patch_size[0] * patch_size[1]] | |
x_out = self.from_patching(x_unembed) | |
# Pixel shuffle to [batch, in_channels, lat, lon] | |
x_out = F.pixel_shuffle(x_out, self.patch_size_px[0]) | |
if self.residual == "temporal": | |
x_out = self.output_scalers * x_out + x_hat | |
elif self.residual == "climate": | |
x_out = self.output_scalers * x_out + batch["climate"] | |
elif self.residual == "none": | |
x_out = ( | |
self.output_scalers * x_out | |
+ self.input_scalers_mu.reshape(1, -1, 1, 1) | |
) | |
return x_out | |