373 shift prior means for log logit settings

pyproject.toml

@@ -16,7 +16,7 @@ keywords = ["HSSM", "sequential sampling models", "bayesian", "bayes", "mcmc"]
 
 [tool.poetry.dependencies]
 python = ">=3.10,<3.12"
-pymc = "^5.10.4"
+pymc = ">=5.10.4, <5.11.0"
 scipy = "^1.12.0"
 arviz = "^0.17.0"
 numpy = "^1.26.4"

src/hssm/defaults.py

@@ -1,4 +1,5 @@
 """Provide default configurations for models in the HSSM class."""
+
 from enum import Enum
 from os import PathLike
 from typing import Callable, Literal, Optional, TypedDict, Union
@@ -91,15 +92,21 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "extra_fields": None,
             },
             "approx_differentiable": {
                 "loglik": "ddm.onnx",
                 "backend": "jax",
-                "default_priors": {},
+                "default_priors": {
+                    "t": {
+                        "name": "HalfNormal",
+                        "sigma": 2.0,
+                        "initval": 0.05,
+                    },
+                },
                 "bounds": {
                     "v": (-3.0, 3.0),
                     "a": (0.3, 2.5),
@@ -116,7 +123,7 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "extra_fields": None,
@@ -136,7 +143,7 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "extra_fields": None,
@@ -148,7 +155,7 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "bounds": {
@@ -168,7 +175,7 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "extra_fields": None,
@@ -188,7 +195,7 @@ class DefaultConfig(TypedDict):
                     "t": {
                         "name": "HalfNormal",
                         "sigma": 2.0,
-                        "initval": 0.1,
+                        "initval": 0.05,
                     },
                 },
                 "extra_fields": None,
@@ -321,6 +328,34 @@ class DefaultConfig(TypedDict):
     },
 }
 
+INITVAL_SETTINGS = {
+    # logit link function case
+    # should never use priors with bounds,
+    # so no need to take care of _log__, and _interval__ variables
+    "log_logit": {
+        "t": -4.0,
+        "t_Intercept": -4.0,
+        "v": 0.0,
+        "a": 0.0,
+        "a_Intercept": 0.0,
+        "v_Intercept": 0.0,
+        "p_outlier": -5.0,
+    },
+    # identity link function case,
+    # need to take care of_log__ and _interval__ variables
+    "None": {
+        "t": 0.025,
+        "t_Intercept": 0.025,
+        "a": 1.5,
+        "a_Intercept": 1.5,
+        "p_outlier": 0.001,
+    },
+}
+
+INITVAL_JITTER_SETTINGS = {
+    "jitter_epsilon": 0.01,
+}
+
 
 def show_defaults(model: SupportedModels, loglik_kind=Optional[LoglikKind]) -> str:
     """Show the defaults for supported models.

src/hssm/distribution_utils/dist.py

@@ -82,6 +82,9 @@ def apply_param_bounds_to_loglik(
     return logp
 
 
+# AF-TODO: define clip params
+
+
 def ensure_positive_ndt(data, logp, list_params, dist_params):
     """Ensure that the non-decision time is always positive.
 
@@ -434,6 +437,8 @@ def dist(cls, **kwargs):  # pylint: disable=arguments-renamed
             return super().dist(dist_params, **other_kwargs)
 
         def logp(data, *dist_params):  # pylint: disable=E0213
+            # AF-TODO: Apply clipping here
+
             num_params = len(list_params)
             extra_fields = []
 
@@ -445,7 +450,7 @@ def logp(data, *dist_params):  # pylint: disable=E0213
                 p_outlier = dist_params[-1]
                 dist_params = dist_params[:-1]
                 lapse_logp = lapse_func(data[:, 0].eval())
-
+                # AF-TODO potentially apply clipping here
                 logp = loglik(data, *dist_params, *extra_fields)
                 logp = pt.log(
                     (1.0 - p_outlier) * pt.exp(logp)

src/hssm/hssm.py

@@ -26,6 +26,8 @@
 from bambi.transformations import transformations_namespace
 
 from hssm.defaults import (
+    INITVAL_JITTER_SETTINGS,
+    INITVAL_SETTINGS,
     LoglikKind,
     MissingDataNetwork,
     SupportedModels,
@@ -225,12 +227,9 @@ def __init__(
         model: SupportedModels | str = "ddm",
         include: list[dict | Param] | None = None,
         model_config: ModelConfig | dict | None = None,
-        loglik: str
-        | PathLike
-        | Callable
-        | pytensor.graph.Op
-        | type[pm.Distribution]
-        | None = None,
+        loglik: (
+            str | PathLike | Callable | pytensor.graph.Op | type[pm.Distribution] | None
+        ) = None,
         loglik_kind: LoglikKind | None = None,
         p_outlier: float | dict | bmb.Prior | None = 0.05,
         lapse: dict | bmb.Prior | None = bmb.Prior("Uniform", lower=0.0, upper=10.0),
@@ -240,11 +239,9 @@ def __init__(
         extra_namespace: dict[str, Any] | None = None,
         missing_data: bool | float = False,
         deadline: bool | str = False,
-        loglik_missing_data: str
-        | PathLike
-        | Callable
-        | pytensor.graph.Op
-        | None = None,
+        loglik_missing_data: (
+            str | PathLike | Callable | pytensor.graph.Op | None
+        ) = None,
         **kwargs,
     ):
         self.data = data.copy()
@@ -271,6 +268,7 @@ def __init__(
                 if isinstance(model_config, ModelConfig)
                 else ModelConfig(**model_config)  # also serves as dict validation
             )
+
         # Update loglik with user-provided value
         self.model_config.update_loglik(loglik)
         # Ensure that all required fields are valid
@@ -348,6 +346,7 @@ def __init__(
         # Get the bambi formula, priors, and link
         self.formula, self.priors, self.link = self._parse_bambi()
 
+        # print(self.priors)
         # For parameters that are regression, apply bounds at the likelihood level to
         # ensure that the samples that are out of bounds are discarded (replaced with
         # a large negative value).
@@ -385,11 +384,16 @@ def __init__(
             self.model, self._parent_param, self.response_c, self.response_str
         )
         self.set_alias(self._aliases)
+        self._postprocess_initvals_deterministic(initval_settings=INITVAL_SETTINGS)
+        self._jitter_initvals(
+            jitter_epsilon=INITVAL_JITTER_SETTINGS["jitter_epsilon"], vector_only=True
+        )
 
     def sample(
         self,
-        sampler: Literal["mcmc", "nuts_numpyro", "nuts_blackjax", "laplace", "vi"]
-        | None = None,
+        sampler: (
+            Literal["mcmc", "nuts_numpyro", "nuts_blackjax", "laplace", "vi"] | None
+        ) = None,
         init: str | None = None,
         **kwargs,
     ) -> az.InferenceData | pm.Approximation:
@@ -465,6 +469,30 @@ def sample(
             else:
                 init = "auto"
 
+        # If sampler is finally `numpyro` make sure
+        # the jitter argument is set to False
+        if sampler == "nuts_numpyro":
+            if "jitter" not in kwargs.keys():
+                kwargs["jitter"] = False
+            elif kwargs["jitter"]:
+                _logger.warning(
+                    "The jitter argument is set to True. "
+                    + "This argument is not supported "
+                    + "by the numpyro backend. "
+                    + "The jitter argument will be set to False."
+                )
+                kwargs["jitter"] = False
+        elif sampler != "nuts_numpyro":
+            if "jitter" in kwargs.keys():
+                _logger.warning(
+                    "The jitter keyword argument is "
+                    + "supported only by the nuts_numpyro sampler. \n"
+                    + "The jitter argument will be ignored."
+                )
+                del kwargs["jitter"]
+            else:
+                pass
+
         self._inference_obj = self.model.fit(
             inference_method=sampler, init=init, **kwargs
         )
@@ -859,6 +887,11 @@ def __repr__(self) -> str:
                     prior = param.prior
                 output.append(f"    Prior: {prior}")
             output.append(f"    Explicit bounds: {param.bounds}")
+            output.append(
+                " (ignored due to link function)"
+                if self.link_settings is not None
+                else ""
+            )
 
         if self.p_outlier is not None:
             # TODO: Allow regression for self.p_outlier
@@ -1068,6 +1101,11 @@ def _override_defaults(self):
         )
         for param in self.list_params:
             param_obj = self.params[param]
+            # print(param)
+            # print('bounds before prior settings: ', param_obj.bounds)
+
+            if self.link_settings == "log_logit":
+                param_obj.override_default_link()
             if self.prior_settings == "safe":
                 if is_ddm:
                     param_obj.override_default_priors_ddm(
@@ -1077,8 +1115,6 @@ def _override_defaults(self):
                     param_obj.override_default_priors(
                         self.data, self.additional_namespace
                     )
-            if self.link_settings == "log_logit":
-                param_obj.override_default_link()
 
     def _process_all(self):
         """Process all params."""
@@ -1231,9 +1267,11 @@ def _make_model_distribution(self) -> type[pm.Distribution]:
             list_params=self.list_params,
             bounds=self.bounds,
             lapse=self.lapse,
-            extra_fields=None
-            if not self.extra_fields
-            else [deepcopy(self.data[field].values) for field in self.extra_fields],
+            extra_fields=(
+                None
+                if not self.extra_fields
+                else [deepcopy(self.data[field].values) for field in self.extra_fields]
+            ),
         )
 
     def _check_extra_fields(self, data: pd.DataFrame | None = None) -> bool:
@@ -1369,6 +1407,62 @@ def _post_check_data_sanity(self):
                 + "which is not allowed."
             )
 
+    def _postprocess_initvals_deterministic(
+        self, initval_settings: dict = INITVAL_SETTINGS
+    ) -> None:
+        """Set initial values for subset of parameters."""
+        # Consider case where link functions are set to 'log_logit'
+        # or 'None'
+        if self.link_settings not in ["log_logit", "None", None]:
+            print(
+                "Not preprocessing initial values, "
+                + "because none of the two standard link settings are chosen!"
+            )
+            return None
+
+        link_setting_str = str(self.link_settings)
+        # Set initial values for particular parameters
+        for name_, starting_value in self.pymc_model.initial_point().items():
+            name_tmp = name_
+            name_tmp = name_tmp.replace("_log__", "")
+            name_tmp = name_tmp.replace("_interval__", "")
+            if name_tmp in initval_settings[link_setting_str].keys():
+                # Apply specific settings from initval_settings dictionary
+                self.pymc_model.set_initval(
+                    self.pymc_model.named_vars[name_tmp],
+                    initval_settings[link_setting_str][name_tmp],
+                )
+
+    def _jitter_initvals(
+        self, jitter_epsilon: float = 0.01, vector_only: bool = False
+    ) -> None:
+        """Apply controlled jitter to initial values."""
+        if vector_only:
+            self.__jitter_initvals_vector_only(jitter_epsilon)
+        else:
+            self.__jitter_initvals_all(jitter_epsilon)
+
+    def __jitter_initvals_vector_only(self, jitter_epsilon: float) -> None:
+        initial_point_dict = self.pymc_model.initial_point()
+        for name_, starting_value in initial_point_dict.items():
+            if starting_value.ndim != 0 and starting_value.shape[0] != 1:
+                starting_value_tmp = starting_value + np.random.uniform(
+                    -jitter_epsilon, jitter_epsilon, starting_value.shape
+                ).astype(np.float32)
+                self.pymc_model.set_initval(
+                    self.pymc_model.named_vars[name_], starting_value_tmp
+                )
+
+    def __jitter_initvals_all(self, jitter_epsilon: float) -> None:
+        initial_point_dict = self.pymc_model.initial_point()
+        for name_, starting_value in initial_point_dict.items():
+            starting_value_tmp = starting_value + np.random.uniform(
+                -jitter_epsilon, jitter_epsilon, starting_value.shape
+            ).astype(np.float32)
+            self.pymc_model.set_initval(
+                self.pymc_model.named_vars[name_], starting_value_tmp
+            )
+
 
 def _set_missing_data_and_deadline(
     missing_data: bool, deadline: bool, data: pd.DataFrame