<filename>chainer_chemistry/models/prediction/classifier.py<gh_stars>100-1000
import warnings

import numpy

import chainer
from chainer.dataset.convert import concat_examples
from chainer.functions.evaluation import accuracy
from chainer.functions.loss import softmax_cross_entropy
from chainer import cuda, Variable  # NOQA
from chainer import reporter
from chainer_chemistry.models.prediction.base import BaseForwardModel


def _argmax(*args):
    x = args[0]
    return chainer.functions.argmax(x, axis=1)


class Classifier(BaseForwardModel):

    """A simple classifier model.

    This is an example of chain that wraps another chain. It computes the
    loss and accuracy based on a given input/label pair.

    Args:
        predictor (~chainer.Link): Predictor network.
        lossfun (function): Loss function.
        accfun (function): DEPRECATED. Please use `metrics_fun` instead.
        metrics_fun (function or dict or None): Function that computes metrics.
        label_key (int or str): Key to specify label variable from arguments.
            When it is ``int``, a variable in positional arguments is used.
            And when it is ``str``, a variable in keyword arguments is used.
        device (int or chainer._backend.Device):
             GPU device id of this Regressor to be used.
             -1 indicates to use in CPU.

    Attributes:
        predictor (~chainer.Link): Predictor network.
        lossfun (function): Loss function.
        accfun (function): DEPRECATED. Please use `metrics_fun` instead.
        y (~chainer.Variable): Prediction for the last minibatch.
        loss (~chainer.Variable): Loss value for the last minibatch.
        metrics (dict): Metrics computed in last minibatch
        compute_metrics (bool): If ``True``, compute metrics on the forward
            computation. The default value is ``True``.

    .. note::
        The differences between original `Classifier` class in chainer and
        chainer chemistry are as follows.
        1. `predict` and `predict_proba` methods are supported.
        2. `device` can be managed internally by the `Classifier`
        3. `accfun` is deprecated, `metrics_fun` is used instead.
        4. `metrics_fun` can be `dict` which specifies the metrics name as key
           and function as value.

    .. note::
        This link uses :func:`chainer.softmax_cross_entropy` with
        default arguments as a loss function (specified by ``lossfun``),
        if users do not explicitly change it. In particular, the loss function
        does not support double backpropagation.
        If you need second or higher order differentiation, you need to turn
        it on with ``enable_double_backprop=True``:

          >>> import chainer.functions as F
          >>> import chainer.links as L
          >>>
          >>> def lossfun(x, t):
          ...     return F.softmax_cross_entropy(
          ...         x, t, enable_double_backprop=True)
          >>>
          >>> predictor = L.Linear(10)
          >>> model = L.Classifier(predictor, lossfun=lossfun)

    """

    compute_metrics = True

    def __init__(self, predictor,
                 lossfun=softmax_cross_entropy.softmax_cross_entropy,
                 accfun=None, metrics_fun=accuracy.accuracy,
                 label_key=-1, device=-1):
        if not (isinstance(label_key, (int, str))):
            raise TypeError('label_key must be int or str, but is %s' %
                            type(label_key))
        if accfun is not None:
            warnings.warn(
                'accfun is deprecated, please use metrics_fun instead')
            warnings.warn('overriding metrics by accfun...')
            # override metrics by accfun
            metrics_fun = accfun

        super(Classifier, self).__init__()
        self.lossfun = lossfun
        if metrics_fun is None:
            self.compute_metrics = False
            self.metrics_fun = {}
        elif callable(metrics_fun):
            self.metrics_fun = {'accuracy': metrics_fun}
        elif isinstance(metrics_fun, dict):
            self.metrics_fun = metrics_fun
        else:
            raise TypeError('Unexpected type metrics_fun must be None or '
                            'Callable or dict. actual {}'.format(type(accfun)))
        self.y = None
        self.loss = None
        self.metrics = None
        self.label_key = label_key

        with self.init_scope():
            self.predictor = predictor

        # `initialize` must be called after `init_scope`.
        self.initialize(device)

    def _convert_to_scalar(self, value):
        """Converts an input value to a scalar if its type is a Variable,

        numpy or cupy array, otherwise it returns the value as it is.
        """
        if isinstance(value, Variable):
            value = value.array
        if numpy.isscalar(value):
            return value
        if type(value) is not numpy.array:
            value = cuda.to_cpu(value)
        return numpy.asscalar(value)

    def __call__(self, *args, **kwargs):
        """Computes the loss value for an input and label pair.

        It also computes accuracy and stores it to the attribute.

        Args:
            args (list of ~chainer.Variable): Input minibatch.
            kwargs (dict of ~chainer.Variable): Input minibatch.

        When ``label_key`` is ``int``, the correpoding element in ``args``
        is treated as ground truth labels. And when it is ``str``, the
        element in ``kwargs`` is used.
        The all elements of ``args`` and ``kwargs`` except the ground trush
        labels are features.
        It feeds features to the predictor and compare the result
        with ground truth labels.

        Returns:
            ~chainer.Variable: Loss value.

        """

        # --- Separate `args` and `t` ---
        if isinstance(self.label_key, int):
            if not (-len(args) <= self.label_key < len(args)):
                msg = 'Label key %d is out of bounds' % self.label_key
                raise ValueError(msg)
            t = args[self.label_key]
            if self.label_key == -1:
                args = args[:-1]
            else:
                args = args[:self.label_key] + args[self.label_key + 1:]
        elif isinstance(self.label_key, str):
            if self.label_key not in kwargs:
                msg = 'Label key "%s" is not found' % self.label_key
                raise ValueError(msg)
            t = kwargs[self.label_key]
            del kwargs[self.label_key]
        else:
            raise TypeError('Label key type {} not supported'
                            .format(type(self.label_key)))

        self.y = None
        self.loss = None
        self.metrics = None
        self.y = self.predictor(*args, **kwargs)
        self.loss = self.lossfun(self.y, t)
        reporter.report(
            {'loss': self._convert_to_scalar(self.loss)}, self)
        if self.compute_metrics:
            # Note: self.accuracy is `dict`, which is different from original
            # chainer implementation
            self.metrics = {key: self._convert_to_scalar(value(self.y, t))
                            for key, value in self.metrics_fun.items()}
            reporter.report(self.metrics, self)
        return self.loss

    def predict_proba(
            self, data, batchsize=16, converter=concat_examples,
            retain_inputs=False, preprocess_fn=None,
            postprocess_fn=chainer.functions.softmax):
        """Calculate probability of each category.

        Args:
            data: "train_x array" or "chainer dataset"
            fn (Callable): Main function to forward. Its input argument is
                either Variable, cupy.ndarray or numpy.ndarray, and returns
                Variable.
            batchsize (int): batch size
            converter (Callable): convert from `data` to `inputs`
            preprocess_fn (Callable): Its input is numpy.ndarray or
                cupy.ndarray, it can return either Variable, cupy.ndarray or
                numpy.ndarray
            postprocess_fn (Callable): Its input argument is Variable,
                but this method may return either Variable, cupy.ndarray or
                numpy.ndarray.
            retain_inputs (bool): If True, this instance keeps inputs in
                `self.inputs` or not.

        Returns (tuple or numpy.ndarray): Typically, it is 2-dimensional float
            array with shape (batchsize, number of category) which represents
            each examples probability to be each category.

        """
        with chainer.no_backprop_mode(), chainer.using_config('train', False):
            proba = self._forward(
                data, fn=self.predictor, batchsize=batchsize,
                converter=converter, retain_inputs=retain_inputs,
                preprocess_fn=preprocess_fn, postprocess_fn=postprocess_fn)
        return proba

    def predict(
            self, data, batchsize=16, converter=concat_examples,
            retain_inputs=False, preprocess_fn=None, postprocess_fn=_argmax):
        """Predict label of each category by taking .

        Args:
            data: input data
            batchsize (int): batch size
            converter (Callable): convert from `data` to `inputs`
            preprocess_fn (Callable): Its input is numpy.ndarray or
                cupy.ndarray, it can return either Variable, cupy.ndarray or
                numpy.ndarray
            postprocess_fn (Callable): Its input argument is Variable,
                but this method may return either Variable, cupy.ndarray or
                numpy.ndarray.
            retain_inputs (bool): If True, this instance keeps inputs in
                `self.inputs` or not.

        Returns (tuple or numpy.ndarray): Typically, it is 1-dimensional int
            array with shape (batchsize, ) which represents each examples
            category prediction.

        """
        with chainer.no_backprop_mode(), chainer.using_config('train', False):
            predict_labels = self._forward(
                data, fn=self.predictor, batchsize=batchsize,
                converter=converter, retain_inputs=retain_inputs,
                preprocess_fn=preprocess_fn, postprocess_fn=postprocess_fn)
        return predict_labels

    # --- For backward compatibility ---
    @property
    def compute_accuracy(self):
        warnings.warn('compute_accuracy is deprecated,'
                      'please use compute_metrics instead')
        return self.compute_metrics

    @compute_accuracy.setter
    def compute_accuracy(self, value):
        warnings.warn('compute_accuracy is deprecated,'
                      'please use compute_metrics instead')
        self.compute_metrics = value

    @property
    def accuracy(self):
        warnings.warn('accuracy is deprecated,'
                      'please use metrics instead')
        return self.metrics

    @accuracy.setter
    def accuracy(self, value):
        warnings.warn('accuracy is deprecated,'
                      'please use metrics instead')
        self.metrics = value

    @property
    def accfun(self):
        warnings.warn('accfun is deprecated,'
                      'please use metrics_fun instead')
        return self.metrics_fun

    @accfun.setter
    def accfun(self, value):
        warnings.warn('accfun is deprecated,'
                      'please use metrics_fun instead')
        self.metrics_fun = value

<filename>chainer_chemistry/models/prediction/classifier.py<gh_stars>100-1000
import warnings

import numpy

import chainer
from chainer.dataset.convert import concat_examples
from chainer.functions.evaluation import accuracy
from chainer.functions.loss import softmax_cross_entropy
from chainer import cuda, Variable  # NOQA
from chainer import reporter
from chainer_chemistry.models.prediction.base import BaseForwardModel


def _argmax(*args):
    x = args[0]
    return chainer.functions.argmax(x, axis=1)


class Classifier(BaseForwardModel):

    """A simple classifier model.

    This is an example of chain that wraps another chain. It computes the
    loss and accuracy based on a given input/label pair.

    Args:
        predictor (~chainer.Link): Predictor network.
        lossfun (function): Loss function.
        accfun (function): DEPRECATED. Please use `metrics_fun` instead.
        metrics_fun (function or dict or None): Function that computes metrics.
        label_key (int or str): Key to specify label variable from arguments.
            When it is ``int``, a variable in positional arguments is used.
            And when it is ``str``, a variable in keyword arguments is used.
        device (int or chainer._backend.Device):
             GPU device id of this Regressor to be used.
             -1 indicates to use in CPU.

    Attributes:
        predictor (~chainer.Link): Predictor network.
        lossfun (function): Loss function.
        accfun (function): DEPRECATED. Please use `metrics_fun` instead.
        y (~chainer.Variable): Prediction for the last minibatch.
        loss (~chainer.Variable): Loss value for the last minibatch.
        metrics (dict): Metrics computed in last minibatch
        compute_metrics (bool): If ``True``, compute metrics on the forward
            computation. The default value is ``True``.

    .. note::
        The differences between original `Classifier` class in chainer and
        chainer chemistry are as follows.
        1. `predict` and `predict_proba` methods are supported.
        2. `device` can be managed internally by the `Classifier`
        3. `accfun` is deprecated, `metrics_fun` is used instead.
        4. `metrics_fun` can be `dict` which specifies the metrics name as key
           and function as value.

    .. note::
        This link uses :func:`chainer.softmax_cross_entropy` with
        default arguments as a loss function (specified by ``lossfun``),
        if users do not explicitly change it. In particular, the loss function
        does not support double backpropagation.
        If you need second or higher order differentiation, you need to turn
        it on with ``enable_double_backprop=True``:

          >>> import chainer.functions as F
          >>> import chainer.links as L
          >>>
          >>> def lossfun(x, t):
          ...     return F.softmax_cross_entropy(
          ...         x, t, enable_double_backprop=True)
          >>>
          >>> predictor = L.Linear(10)
          >>> model = L.Classifier(predictor, lossfun=lossfun)

    """

    compute_metrics = True

    def __init__(self, predictor,
                 lossfun=softmax_cross_entropy.softmax_cross_entropy,
                 accfun=None, metrics_fun=accuracy.accuracy,
                 label_key=-1, device=-1):
        if not (isinstance(label_key, (int, str))):
            raise TypeError('label_key must be int or str, but is %s' %
                            type(label_key))
        if accfun is not None:
            warnings.warn(
                'accfun is deprecated, please use metrics_fun instead')
            warnings.warn('overriding metrics by accfun...')
            # override metrics by accfun
            metrics_fun = accfun

        super(Classifier, self).__init__()
        self.lossfun = lossfun
        if metrics_fun is None:
            self.compute_metrics = False
            self.metrics_fun = {}
        elif callable(metrics_fun):
            self.metrics_fun = {'accuracy': metrics_fun}
        elif isinstance(metrics_fun, dict):
            self.metrics_fun = metrics_fun
        else:
            raise TypeError('Unexpected type metrics_fun must be None or '
                            'Callable or dict. actual {}'.format(type(accfun)))
        self.y = None
        self.loss = None
        self.metrics = None
        self.label_key = label_key

        with self.init_scope():
            self.predictor = predictor

        # `initialize` must be called after `init_scope`.
        self.initialize(device)

    def _convert_to_scalar(self, value):
        """Converts an input value to a scalar if its type is a Variable,

        numpy or cupy array, otherwise it returns the value as it is.
        """
        if isinstance(value, Variable):
            value = value.array
        if numpy.isscalar(value):
            return value
        if type(value) is not numpy.array:
            value = cuda.to_cpu(value)
        return numpy.asscalar(value)

    def __call__(self, *args, **kwargs):
        """Computes the loss value for an input and label pair.

        It also computes accuracy and stores it to the attribute.

        Args:
            args (list of ~chainer.Variable): Input minibatch.
            kwargs (dict of ~chainer.Variable): Input minibatch.

        When ``label_key`` is ``int``, the correpoding element in ``args``
        is treated as ground truth labels. And when it is ``str``, the
        element in ``kwargs`` is used.
        The all elements of ``args`` and ``kwargs`` except the ground trush
        labels are features.
        It feeds features to the predictor and compare the result
        with ground truth labels.

        Returns:
            ~chainer.Variable: Loss value.

        """

        # --- Separate `args` and `t` ---
        if isinstance(self.label_key, int):
            if not (-len(args) <= self.label_key < len(args)):
                msg = 'Label key %d is out of bounds' % self.label_key
                raise ValueError(msg)
            t = args[self.label_key]
            if self.label_key == -1:
                args = args[:-1]
            else:
                args = args[:self.label_key] + args[self.label_key + 1:]
        elif isinstance(self.label_key, str):
            if self.label_key not in kwargs:
                msg = 'Label key "%s" is not found' % self.label_key
                raise ValueError(msg)
            t = kwargs[self.label_key]
            del kwargs[self.label_key]
        else:
            raise TypeError('Label key type {} not supported'
                            .format(type(self.label_key)))

        self.y = None
        self.loss = None
        self.metrics = None
        self.y = self.predictor(*args, **kwargs)
        self.loss = self.lossfun(self.y, t)
        reporter.report(
            {'loss': self._convert_to_scalar(self.loss)}, self)
        if self.compute_metrics:
            # Note: self.accuracy is `dict`, which is different from original
            # chainer implementation
            self.metrics = {key: self._convert_to_scalar(value(self.y, t))
                            for key, value in self.metrics_fun.items()}
            reporter.report(self.metrics, self)
        return self.loss

    def predict_proba(
            self, data, batchsize=16, converter=concat_examples,
            retain_inputs=False, preprocess_fn=None,
            postprocess_fn=chainer.functions.softmax):
        """Calculate probability of each category.

        Args:
            data: "train_x array" or "chainer dataset"
            fn (Callable): Main function to forward. Its input argument is
                either Variable, cupy.ndarray or numpy.ndarray, and returns
                Variable.
            batchsize (int): batch size
            converter (Callable): convert from `data` to `inputs`
            preprocess_fn (Callable): Its input is numpy.ndarray or
                cupy.ndarray, it can return either Variable, cupy.ndarray or
                numpy.ndarray
            postprocess_fn (Callable): Its input argument is Variable,
                but this method may return either Variable, cupy.ndarray or
                numpy.ndarray.
            retain_inputs (bool): If True, this instance keeps inputs in
                `self.inputs` or not.

        Returns (tuple or numpy.ndarray): Typically, it is 2-dimensional float
            array with shape (batchsize, number of category) which represents
            each examples probability to be each category.

        """
        with chainer.no_backprop_mode(), chainer.using_config('train', False):
            proba = self._forward(
                data, fn=self.predictor, batchsize=batchsize,
                converter=converter, retain_inputs=retain_inputs,
                preprocess_fn=preprocess_fn, postprocess_fn=postprocess_fn)
        return proba

    def predict(
            self, data, batchsize=16, converter=concat_examples,
            retain_inputs=False, preprocess_fn=None, postprocess_fn=_argmax):
        """Predict label of each category by taking .

        Args:
            data: input data
            batchsize (int): batch size
            converter (Callable): convert from `data` to `inputs`
            preprocess_fn (Callable): Its input is numpy.ndarray or
                cupy.ndarray, it can return either Variable, cupy.ndarray or
                numpy.ndarray
            postprocess_fn (Callable): Its input argument is Variable,
                but this method may return either Variable, cupy.ndarray or
                numpy.ndarray.
            retain_inputs (bool): If True, this instance keeps inputs in
                `self.inputs` or not.

        Returns (tuple or numpy.ndarray): Typically, it is 1-dimensional int
            array with shape (batchsize, ) which represents each examples
            category prediction.

        """
        with chainer.no_backprop_mode(), chainer.using_config('train', False):
            predict_labels = self._forward(
                data, fn=self.predictor, batchsize=batchsize,
                converter=converter, retain_inputs=retain_inputs,
                preprocess_fn=preprocess_fn, postprocess_fn=postprocess_fn)
        return predict_labels

    # --- For backward compatibility ---
    @property
    def compute_accuracy(self):
        warnings.warn('compute_accuracy is deprecated,'
                      'please use compute_metrics instead')
        return self.compute_metrics

    @compute_accuracy.setter
    def compute_accuracy(self, value):
        warnings.warn('compute_accuracy is deprecated,'
                      'please use compute_metrics instead')
        self.compute_metrics = value

    @property
    def accuracy(self):
        warnings.warn('accuracy is deprecated,'
                      'please use metrics instead')
        return self.metrics

    @accuracy.setter
    def accuracy(self, value):
        warnings.warn('accuracy is deprecated,'
                      'please use metrics instead')
        self.metrics = value

    @property
    def accfun(self):
        warnings.warn('accfun is deprecated,'
                      'please use metrics_fun instead')
        return self.metrics_fun

    @accfun.setter
    def accfun(self, value):
        warnings.warn('accfun is deprecated,'
                      'please use metrics_fun instead')
        self.metrics_fun = value

# NOQA A simple classifier model.      This is an example of chain that wraps another chain. It computes the     loss and accuracy based on a given input/label pair.      Args:         predictor (~chainer.Link): Predictor network.         lossfun (function): Loss function.         accfun (function): DEPRECATED. Please use `metrics_fun` instead.         metrics_fun (function or dict or None): Function that computes metrics.         label_key (int or str): Key to specify label variable from arguments.             When it is ``int``, a variable in positional arguments is used.             And when it is ``str``, a variable in keyword arguments is used.         device (int or chainer._backend.Device):              GPU device id of this Regressor to be used.              -1 indicates to use in CPU.      Attributes:         predictor (~chainer.Link): Predictor network.         lossfun (function): Loss function.         accfun (function): DEPRECATED. Please use `metrics_fun` instead.         y (~chainer.Variable): Prediction for the last minibatch.         loss (~chainer.Variable): Loss value for the last minibatch.         metrics (dict): Metrics computed in last minibatch         compute_metrics (bool): If ``True``, compute metrics on the forward             computation. The default value is ``True``.      .. note::         The differences between original `Classifier` class in chainer and         chainer chemistry are as follows.         1. `predict` and `predict_proba` methods are supported.         2. `device` can be managed internally by the `Classifier`         3. `accfun` is deprecated, `metrics_fun` is used instead.         4. `metrics_fun` can be `dict` which specifies the metrics name as key            and function as value.      .. note::         This link uses :func:`chainer.softmax_cross_entropy` with         default arguments as a loss function (specified by ``lossfun``),         if users do not explicitly change it. In particular, the loss function         does not support double backpropagation.         If you need second or higher order differentiation, you need to turn         it on with ``enable_double_backprop=True``:            >>> import chainer.functions as F           >>> import chainer.links as L           >>>           >>> def lossfun(x, t):           ...     return F.softmax_cross_entropy(           ...         x, t, enable_double_backprop=True)           >>>           >>> predictor = L.Linear(10)           >>> model = L.Classifier(predictor, lossfun=lossfun) # override metrics by accfun # `initialize` must be called after `init_scope`. Converts an input value to a scalar if its type is a Variable,          numpy or cupy array, otherwise it returns the value as it is. Computes the loss value for an input and label pair.          It also computes accuracy and stores it to the attribute.          Args:             args (list of ~chainer.Variable): Input minibatch.             kwargs (dict of ~chainer.Variable): Input minibatch.          When ``label_key`` is ``int``, the correpoding element in ``args``         is treated as ground truth labels. And when it is ``str``, the         element in ``kwargs`` is used.         The all elements of ``args`` and ``kwargs`` except the ground trush         labels are features.         It feeds features to the predictor and compare the result         with ground truth labels.          Returns:             ~chainer.Variable: Loss value. # --- Separate `args` and `t` --- # Note: self.accuracy is `dict`, which is different from original # chainer implementation Calculate probability of each category.          Args:             data: "train_x array" or "chainer dataset"             fn (Callable): Main function to forward. Its input argument is                 either Variable, cupy.ndarray or numpy.ndarray, and returns                 Variable.             batchsize (int): batch size             converter (Callable): convert from `data` to `inputs`             preprocess_fn (Callable): Its input is numpy.ndarray or                 cupy.ndarray, it can return either Variable, cupy.ndarray or                 numpy.ndarray             postprocess_fn (Callable): Its input argument is Variable,                 but this method may return either Variable, cupy.ndarray or                 numpy.ndarray.             retain_inputs (bool): If True, this instance keeps inputs in                 `self.inputs` or not.          Returns (tuple or numpy.ndarray): Typically, it is 2-dimensional float             array with shape (batchsize, number of category) which represents             each examples probability to be each category. Predict label of each category by taking .          Args:             data: input data             batchsize (int): batch size             converter (Callable): convert from `data` to `inputs`             preprocess_fn (Callable): Its input is numpy.ndarray or                 cupy.ndarray, it can return either Variable, cupy.ndarray or                 numpy.ndarray             postprocess_fn (Callable): Its input argument is Variable,                 but this method may return either Variable, cupy.ndarray or                 numpy.ndarray.             retain_inputs (bool): If True, this instance keeps inputs in                 `self.inputs` or not.          Returns (tuple or numpy.ndarray): Typically, it is 1-dimensional int             array with shape (batchsize, ) which represents each examples             category prediction. # --- For backward compatibility ---