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[源码解析]PyTorch如何实现前向传播(2) --- 基础类(下)

2021-10-20 07:12 211 查看

[源码解析]PyTorch如何实现前向传播(2) --- 基础类(下)

[toc]

0x00 摘要

本系列将通过大概十篇左右文章来分析 PyTorch 的自动微分功能如何实现。本文是前向传播的第二篇,介绍自动微分(梯度计算)所涉及的部分 PyTorch 基础类。因为字数太多(1万两千字),所以拆分成上下两篇。

系列前几篇连接如下:

深度学习利器之自动微分(1)

深度学习利器之自动微分(2)

深度学习利器之自动微分(3) --- 示例解读

[源码解析]PyTorch如何实现前向传播(1) --- 基础类(上)

0x01 前文回顾

前文介绍了部分基础类,比如 Variable, Function, Tensor,本文我们继续分析其他基础类。为了行文完整,我们从前文摘取了总体逻辑关系如下,SubBackward0,PowBackward0 和 都是Node 的派生类,在本文我们会细化这个图。

+---------------------+              +----------------------+
| SubBackward0        |              | PowBackward0         |
|                     |      Edge    |                      |  Edge
|   next_functions  +-----+--------> |     next_functions +----------> ...
|                     |   |          |                      |
+---------------------+   |          +----------------------+
|
|
|          +----------------------+
|  Edge    | MulBackward0         |
+--------> |                      |  Edge
|     next_functions +----------> ...
|                      |
+----------------------+

0x02 TensorImpl

2.1 转嫁

PyTorch 之中大量使用了bridge设计模式,at::Tensor就是利用bridge模式把具体实现转交给TensorImpl完成。

class TORCH_API Tensor {
private:
struct unsafe_borrow_t { explicit unsafe_borrow_t() = default; };

explicit Tensor(unsafe_borrow_t, const Tensor& rhs)
: impl_(c10::intrusive_ptr<at::TensorImpl, UndefinedTensorImpl>::reclaim(rhs.impl_.get())) {}

friend MaybeOwnedTraits<Tensor>;
protected:
friend class ::caffe2::Tensor;

void enforce_invariants();
c10::intrusive_ptr<TensorImpl, UndefinedTensorImpl> impl_; // 转嫁出去
};

具体如下:

+------------------------------------------------+          +---------------------------+
|Tensor                                          |          |TensorImpl                 |
|                                                |          |                           |
|                                                |  bridge  |                           |
|      <TensorImpl, UndefinedTensorImpl> impl_+-----------> |       autograd_meta_      |
|                                                |          |                           |
|                                                |          |       named_tensor_meta_  |
+------------------------------------------------+          |                           |
|       pyobj_              |
|                           |
|       sizes_and_strides_  |
|                           |
|       storage_offset_     |
|                           |
|       data_type_          |
|                           |
|       device_opt_         |
|                           |
|                           |
+---------------------------+

2.2 定义

TensorImpl 定义如下,因为本文是自动微分和前向传播相关,因此我们专注这部分功能的相关变量,就是autograd_meta_ 。除了 autograd_meta_ 之外,主要是一些描述Tensor大小的元数据,包含元素的类型(dtype),Tensor所依赖的设备,Strides(步幅)等等。

struct C10_API TensorImpl : public c10::intrusive_ptr_target {
Storage storage_;

private:
// This pointer points to an AutogradMeta struct that stores autograd-specific
// fields (such as grad_ / grad_fn_ / grad_accumulator_). This pointer always
// has unique ownership (meaning only one TensorImpl can own it at a time).
//
// autograd_meta_ can be nullptr, as an optimization.  When this occurs, it is
// equivalent to having an autograd_meta_ pointing to a default constructed
// AutogradMeta; intuitively, tensors which don't require grad will have this
// field set to null.
//
// This means accessors on autograd_meta_ have to be careful to test if they
// got a nullptr, and handle default behavior appropriately in that case.
//
// Note that we don't enforce the invariant that if the AutogradMeta is
// default constructed, it is nullptr (to do this, we'd have to continuously
// check if an AutogradMeta became, by mutation, equal to the default
// constructed form.  (This might be useful, but it seems rare enough that
// a requires_grad=True variable will turn back into the requires_grad=False
// version.)  So there are three representable states:
//
//    1. autograd_meta_ == nullptr
//    2. autograd_meta_ is default constructed (semantically, same as (1))
//    3. autograd_meta_ has nontrivial information content
//
std::unique_ptr<c10::AutogradMetaInterface> autograd_meta_ = nullptr; // 主要关注这里

protected:
std::unique_ptr<c10::NamedTensorMetaInterface> named_tensor_meta_ = nullptr;
c10::VariableVersion version_counter_;
PyObject* pyobj_ = nullptr;
c10::impl::SizesAndStrides sizes_and_strides_;
int64_t storage_offset_ = 0;
int64_t numel_ = 1;
caffe2::TypeMeta data_type_;
c10::optional<c10::Device> device_opt_;
bool is_contiguous_ : 1;
/* HasContiguityPolicy */ uint8_t has_contiguity_ : 2;
bool storage_access_should_throw_ = false;
bool is_channels_last_ : 1;
bool is_channels_last_contiguous_ : 1;
bool is_channels_last_3d_ : 1;
bool is_channels_last_3d_contiguous_ : 1;
bool is_non_overlapping_and_dense_ : 1;
bool is_wrapped_number_ : 1;
bool allow_tensor_metadata_change_ : 1;
bool reserved_ : 1;
DispatchKeySet key_set_;
};

对于自动微分,

std::unique_ptr<c10::AutogradMetaInterface> autograd_meta_ = nullptr;
是关键。

此成员变量用来存储自动微分相关的特殊变量,比如

grad_ / grad_fn_ / grad_accumulator_
,每一个TensorImpl在同一时刻只有唯一一个AutogradMeta。

autograd_meta_ 是区分一个 Variable 是普通张量还是带 autograd 功能张量的唯一标识:

  • 对于不需要梯度的张量,autograd_meta_ 这个变量为null。
  • 但是出于优化的目的,即使需要梯度,autograd_meta_ 也可以是null,这种情况等同于被赋值成一个缺省的AutogradMeta。所以在使用时候需要仔细校验是否为null。
  • 在需要梯度情况下,一般来说,autograd_meta_会被初始化为 AutogradMeta 或者DifferentiableViewMeta。

AutogradMetaInterface 定义如下,这是一个抽象接口,需要派生类来实现具体功能。

struct C10_API AutogradMetaInterface {
virtual void set_requires_grad(
bool requires_grad,
at::TensorImpl* self_impl) = 0;
virtual bool requires_grad() const = 0;
virtual at::Tensor& mutable_grad() = 0;
virtual const at::Tensor& grad() const = 0;
virtual const at::Tensor& fw_grad(uint64_t level, const at::Tensor& self)
const = 0;
virtual void set_fw_grad(
const at::Tensor& new_grad,
const at::Tensor& self,
uint64_t level,
bool is_inplace_op) = 0;
virtual ~AutogradMetaInterface();
};

0x03 自动求导相关类

以下类是与自动求导相关。

3.1 AutogradMeta

AutogradMeta 继承了 AutogradMetaInterface,存储于自动微分相关的东西,比如节点的梯度值和梯度计算函数,其具体定义如下:

//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
//                            AutogradMeta
//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

/// Each `Variable` has one unique `AutogradMeta` struct, which stores autograd
/// metadata fields that are necessary for tracking the Variable's autograd history.
/// As an optimization, a Variable may store a nullptr, in lieu of a default
/// constructed AutogradMeta.

/// 1. A `grad_fn`, if the variable is in the interior of the graph. This is the
///    gradient of the function that produced the variable.
/// 2. A `grad_accumulator`, if the variable is a leaf, which accumulates a
///    scalar gradient value into its `grad` variable.

struct TORCH_API AutogradMeta : public c10::AutogradMetaInterface {
std::string name_;

Variable grad_; // 保存当前Variable的梯度,本身也是一个Variable
std::shared_ptr<Node> grad_fn_; // 非叶子节点才有意义,中间节点负责梯度计算。Pytorch就是判断grad_fn_是否为空来判断一个Variable是否是叶子节点,可以通过grad_fn()方法来访问。
std::weak_ptr<Node> grad_accumulator_; // Node实例,只有叶子节点才有,叶子节点负责对梯度进行累加,grad_accumulator_就是梯度累加处理函数,梯度就被保存在grad_变量之中

// This field is used to store all the forward AD gradients
// associated with this AutogradMeta (and the Tensor it corresponds to)
// There is a semantic 1:1 correspondence between AutogradMeta and
// ForwardGrad but:
//   - This field is lazily populated.
//   - This field is a shared_ptr but it must never be
//     shared by multiple Tensors. See Note [ Using ForwardGrad ]
// Any transition from not_initialized to initialized
// must be protected by mutex_
std::shared_ptr<ForwardGrad> fw_grad_; // forward AD gradients

std::vector<std::shared_ptr<FunctionPreHook>> hooks_;
std::shared_ptr<hooks_list> cpp_hooks_list_;

// Only meaningful on leaf variables (must be false otherwise)
bool requires_grad_; // 此Variable是否需要grad

// Only meaningful on non-leaf variables (must be false otherwise)
bool retains_grad_; // 只有非叶子节点才有意义,是否需要保持图

bool is_view_; // 此Variable是否是一个View(没有实际存储,这是基于base的Variable)

// The "output number" of this variable; e.g., if this variable
// was the second output of a function, then output_nr == 1.
// We use this to make sure we can setup the backwards trace
// correctly when this variable is passed to another function.
uint32_t output_nr_; // Variable是某一个函数的输出数据,output_nr_ 就记录了它是第几个输出,比如 = 0,就表示是函数的第1个输出

// Mutex to ensure that concurrent read operations that modify internal
// state are still thread-safe. Used by grad_fn(), grad_accumulator(),
// fw_grad() and set_fw_grad()
// This is mutable because we need to be able to acquire this from const
// version of this class for the functions above
mutable std::mutex mutex_;
};

AutogradMeta 的主要成员变量如下:

  • grad_ :存储当前Variable实例的梯度,本身也是一个Variable。
  • grad_fn :是个Node实例,非叶子节点才有。通过 grad_fn() 方法来访问,实际上,PyTorch中就是通过 grad_fn是否为空 来判断一个Variable是否是leaf variable。
  • grad_accumulator_ :也是Node的实例,只有叶子节点才有。 通过Variable的grad_accumulator()来访问。
  • 叶子节点负责对梯度进行累加,grad_accumulator_ 就是梯度累加处理函数。
  • 其对应梯度就被保存在 grad_ 变量之中。
  • 我们总结一下,对于非叶子节点,grad_fn是计算梯度操作。对于叶子节点,PyTorch 虚拟出了一个特殊计算操作,输出这个叶子节点,同时此虚拟计算操作也作为叶子节点的
    grad_accumulator_
    来累加其梯度,因此叶子节点的
    output_nr_
    必定为 0。
  • requires_grad_ :表明此Variable实例是否需要grad。
  • retains_grad_ : 只有非叶子节点才有意义,意义为是否需要保持图。
  • is_view_ :是个flag,表明此Variable实例是否是个view(没有实际存储,基于base的variable)。
  • version_counter_ :version number。
  • output_nr_:是个数字。output_nr_表明是 Node 的第几个输出,比如为 0 就 表明这个Variable是Node 的第 1 个输出。
  • base_ :是view的base variable。
  • 具体如下,这里把 grad_fn 配置为 SubBackward0 作为例子:

    +----------------------------------------------+          +-------------------------+
    |Tensor                                        |          |TensorImpl               |
    |                                              |          |                         |
    |                                              |  bridge  |                         |
    |   <TensorImpl, UndefinedTensorImpl> impl_ +-----------> |    autograd_meta_ +---------+
    |                                              |          |                         |   |
    |                                              |          |    named_tensor_meta_   |   |
    +----------------------------------------------+          |                         |   |
    |    pyobj_               |   |
    |                         |   |
    |    sizes_and_strides_   |   |
    |                         |   |
    |    storage_offset_      |   |
    |                         |   |
    |    data_type_           |   |
    |                         |   |
    |    device_opt_          |   |
    |                         |   |
    |                         |   |
    +-------------------------+   |
    |
    +-------------------------+                                          |
    | AutogradMeta            |                                          |
    |                         +<-----------------------------------------+
    |                         |
    |      grad_accumulator_  |
    |                         |            +-------------------------+
    |      grad_fn_ +--------------------> | SubBackward0            |
    |                         |            |                         |
    |      hooks_             |            |                         |
    |                         |            |                         |
    |      retains_grad_      |            |           next_edges_   |
    |                         |            |                         |
    |      output_nr_         |            |                         |
    |                         |            |                         |
    |      fw_grad_           |            |                         |
    |                         |            |                         |
    +-------------------------+            +-------------------------+

    AutogradMeta 构造函数之中,gradient_edge 参数需要特别注意,其类型为

    Edge

    • gradient_edge.function
      就被赋值给AutogradMeta 的
      grad_fn
    • gradient_edge.input_nr
      被赋值给
      AutoGradMeta
      output_nr
    AutogradMeta(at::TensorImpl* self_impl = nullptr, bool requires_grad = false, Edge gradient_edge = Edge() ) {
    grad_fn_ = std::move(gradient_edge.function);
    requires_grad_ = false;
    retains_grad_ = false;
    is_view_ = false;
    output_nr_ = gradient_edge.input_nr;
    
    // set_requires_grad also checks error conditions.
    if (requires_grad) {
    TORCH_INTERNAL_ASSERT(self_impl);
    // NOLINTNEXTLINE(clang-analyzer-optin.cplusplus.VirtualCall)
    set_requires_grad(requires_grad, self_impl);
    }
    TORCH_CHECK(
    !grad_fn_ || !requires_grad_,
    "requires_grad should be false if grad_fn is set");
    }

    3.2 DifferentiableViewMeta

    对于输入变量,许多操作返回与输入变量共享存储的新变量,返回的变量被称为在基变量之上的视图(view)变量。在PyTorch中,我们有两种类型的视图:可微视图和不可微的视图。为了支持合适的版本校验,无论是哪种类型,基变量和视图变量必须分享同样的版本计数器(version_counter)。

    DifferentiableViewMeta 就是用来处理可微视图。

    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    //                     DifferentiableViewMeta
    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    /// DifferentiableViewMeta is created to support gradient tracking of
    /// such **in-place** operations. In particular,
    ///   + if an in-place op is done on base, the grad_fn field of the view may
    ///     become stale. So accesses should always go through grad_fn(), which
    ///     reconstructs an updated grad_fn if the version_counter has incremented.
    ///     All other fields are always valid.
    ///   + if an in-place op is done on view, in rebase_history() of view, which is
    ///     called after every in-place op in VariableType.cpp, the grad_fn of base
    ///     is updated.
    ///   + if a single autograd Node returns multiple differentiable views, if any
    ///     output is modified by an inplace operation, the autograd engine will make
    ///     an equivalent graph (corresponding to the view operations) without using
    ///     equivalent graph, where each output is treated as if it were produced by a
    ///     distinct view operation. This discards the original (e.g., user provided)
    ///     grad_fn. If the provided grad_fn does more than the backward of the view,
    ///     then the DifferentiableViewMeta must be created with creation_meta=
    ///     CreationMeta::MULTI_OUTPUT_NODE to prevent the engine from ignoring the
    ///     provided grad_fn.
    
    enum class CreationMeta: uint8_t { DEFAULT, IN_CUSTOM_FUNCTION, MULTI_OUTPUT_NODE,
    NO_GRAD_MODE, MULTI_OUTPUT_SAFE, INFERENCE_MODE};
    
    struct TORCH_API DifferentiableViewMeta : public AutogradMeta {
    private:
    /// Informations about the views
    c10::optional<ViewInfo> backward_info_;
    c10::optional<ViewInfo> forward_info_;
    
    // Optimization to reduce the number of ViewInfo we create.
    // In the (very common) case where backward_info_ == forward_info_, we only
    // populate backward_info_ (that should be used as both the forward and backward
    // view information) and set shared_view_info_ = true.
    // Invariants:
    //   - If shared_view_info_ is false, there is no special constraints on
    //     backward_info_ and forward_info_
    //   - If shared_view_info_ is true, we must have:
    //      - backward_info_.has_value() == true
    //      - forward_info_.has_value() == false
    bool shared_view_info_;
    
    /// The two following fields are extra information that we track to ensure that
    /// any operation on this backward view is valid.
    
    /// The value of the version_counter at the time grad_fn was created. The
    /// grad_fn field is stale if attr_version_ != version_counter.current_version().
    uint32_t attr_version_;
    CreationMeta creation_meta_;
    };

    3.3 AutogradContext

    AutogradContext 是操作 autograd 的上下文,用来存储在前向过程中产生的信息,这样在后向传播中就可以访问。

    /// Context to save information during `forward` that can be accessed in `backward`
    /// in custom autograd operations (see `torch::autograd::Function` for details).
    struct TORCH_API AutogradContext {
    // NOLINTNEXTLINE(cppcoreguidelines-pro-type-member-init)
    AutogradContext() : materialize_grads_(true) {}
    AutogradContext(const AutogradContext &other) = delete;
    AutogradContext& operator=(const AutogradContext& other) = delete;
    
    /// Can be used to save non-variable data for `backward`.
    // NOLINTNEXTLINE(cppcoreguidelines-non-private-member-variables-in-classes)
    ska::flat_hash_map<std::string, at::IValue> saved_data;
    
    /// Saves the list of variables for a future call to `backward`. This
    /// should be called at most once from inside of `forward`.
    void save_for_backward(variable_list to_save);
    /// Marks variables in the list as modified in an in-place operation. This
    /// should be called at most once from inside of `forward` and all arguments
    /// should be inputs.
    void mark_dirty(const variable_list &inputs);
    /// Marks outputs in the list as not requiring gradients. This should be called
    /// at most once from inside of `forward` and all arguments should be outputs.
    void mark_non_differentiable(const variable_list &outputs);
    // Sets whether undefined output grad tensors should be expanded to tensors
    // full of zeros before calling backward function. Default value is true.
    void set_materialize_grads(bool value);
    
    /// Get the list of variables that were saved in `forward` using
    /// `save_for_backward()`. Before returning them to the user, a check is made to
    /// ensure that they were not modified by any in-place operations.
    variable_list get_saved_variables() const;
    const std::unordered_set<at::TensorImpl*>& get_and_bump_dirty() const;
    const std::unordered_set<at::TensorImpl*>& get_non_differentiable() const;
    
    private:
    std::unordered_set<at::TensorImpl*> non_differentiable_;
    std::unordered_set<at::TensorImpl*> dirty_inputs_;
    std::vector<torch::autograd::SavedVariable> saved_variables_;
    variable_list to_save_;
    bool materialize_grads_;
    
    // The CppNode in the autograd graph that owns this AutogradContext. We need a
    // weak_ptr to avoid a refcycle. Since grad_fn_ owns this AutogradContext, it
    // will always be alive when we want to use it.
    std::weak_ptr<Node> grad_fn_;
    bool has_freed_buffers_;
    
    void save_variables();
    
    template <class T> friend struct CppNode;
    };

    对用户来说,AutogradContext 主要是在 自定义 Auto Function 方面。以下是注释之中的例子。

    /// ```
    /// class MyFunction : public Function<MyFunction> {
    ///   public:
    ///   static variable_list forward(AutogradContext *ctx, int n, Variable var) {
    ///      // Save data for backward in context
    ///      ctx->saved_data["n"] = n;
    ///      var.mul_(2);
    ///      // Mark var as modified by inplace operation
    ///      ctx->mark_dirty({var});
    ///      return {var};
    ///   }
    ///
    ///   static variable_list backward(AutogradContext *ctx, variable_list
    ///   grad_output) {
    ///      // Use data saved in forward
    ///      auto n = ctx->saved_data["n"].toInt();
    ///      return {grad_output[0]*n};
    ///   }
    /// };
    /// ```
    ///
    /// To use `MyFunction`:
    /// ```
    /// Variable x;
    /// auto y = MyFunction::apply(6, x);
    /// // Example backward call
    /// y[0].sum().backward();

    我们籍此进入到 Auto Function。

    3.4 Auto Function

    Autograd使用Function来计算结果和梯度,并对操作历史进行编码。在

    Tensor
    上执行的每个操作都会创建一个新的 Function 对象,该对象执行计算并记录发生了什么。操作历史以函数 DAG 的形式保留,边表示数据依赖关系 (
    input <- output
    )。

    通常,用户与 Function 交互的唯一方式是创建子类和定义新操作(扩展新的功能),这是扩展 torch.autograd 的推荐方式。有关如何使用此类的更多详细信息,请参阅有关扩展 autograd 引擎的说明: https://pytorch.org/docs/stable/notes/extending.html#extending-torch-autograd

    用户如果要使用自定义autograd操作,请使用静态正向和反向函数实现一个Function子类。

    • forward
      可以接受任意多个参数,并应返回变量列表或变量。 任何Variable参数的使用都将在计算图中注册,但是vectors/sets 或者其他数据结构不会遍历注册。
    • 您可以使用c10::optional作为参数之一,如果参数有值,它将在图形中注册为变量。
    • forward应该将指向“torchautogradAutogradContext”的指针作为第一个参数。变量可以使用“ctx->save_for_backward”,保存在“ctx->saved_data” map中,其他数据将以
      <std::string, at::IValue>
      ”对的形式保存在“ctx->saved_data” map中。
  • backward
    应该使用指向
    torch::autograd::AutogradContext
    的指针 以及一个变量列表作为参数。
      该变量列表包含的变量数量与
      forward
      输出的变量数量相同。
    • backward应该返回与输入一样多的变量,其中每个变量都包含与输入相应的梯度。
    • “forward”中保存的变量可以通过“ctx->get_saved_Variables”访问,其他保存的数据可以通过“ctx->saved_data”访问。
    • 当 backward被调用时,通过调用每个Function对象的方法,并将返回的梯度传递给下一个Function ,我们就可以按照拓扑顺序来处理这个计算图 。

    Function 具体派生子类例子如下:

    class Exp(Function):
    
    @staticmethod
    def forward(ctx, i):
    result = i.exp()
    ctx.save_for_backward(result)
    return result
    
    @staticmethod
    def backward(ctx, grad_output):
    result, = ctx.saved_tensors
    return grad_output * result
    
    #Use it by calling the apply method:
    output = Exp.apply(input)

    如前所示,Function 已经被 Node 替换,所以我们再来到了 Node。

    0x04 Node

    早期版本中,Node的名字是Function,后来修改为Node,应该是想与节点概念更好的对应。

    Node 是一个代表操作的抽象类,其输入是0个或者多个Variable,输出是0个或多个Variable。前向图中该Node节点的输入节点,就是后向传播图中该Node节点的输出节点。PyTorch的autograd机制中,所有函数都派生自此类,并重写其“apply”方法。这样子类的实例就可以通过call操作符调用。

    将autograd系统视为计算图时,

    Node
    是通过(有向)
    Edge
    相互连接的顶点或节点,其本身通过(Node,input_nr)对来表示。Variable 是Node 的输入和输出,并在图形执行期间在这些边之间移动。当两个或多个“边”(来自不同来源)指向一个“节点”的同一输入时,沿所有这些边生成的值在转发到目标“节点”之前将被隐式求和。

    其子类通常用来表示可微函数及其梯度算子。然而,请注意,由于“节点”的定义非常笼统,“节点”接受零或更多的输入并产生零或更多的输出。“节点”的使用非常灵活,超出了纯数学运算的范围。例如,

    AccumageGrad
    函数是一个sink,它接受一个输入,但不产生输出,而是将输入作为副作用进行累积。在另一端,“GraphRoot”函数不接收来自其他函数的输入,而是产生多个输出。具体可以参见 torch/csrc/autograd/function.h 的注释。

    4.1 定义

    我们看看 Node 类的定义,为了更好的说明,这里只保留成员变量,删除成员函数。

    using edge_list = std::vector<Edge>;
    
    struct TORCH_API Node : std::enable_shared_from_this<Node> {
    
    protected:
    /// Performs the `Node`'s actual operation.
    virtual variable_list apply(variable_list&& inputs) = 0;
    
    /// Calls `apply()`, but instruments it with tracing machinery.
    variable_list traced_apply(variable_list inputs);
    
    /// NOTE [ Sequence Number]
    ///
    /// The sequence_nr has two main usages in autograd:
    ///
    /// 1) Helps determine the node's execution priority in the engine.
    ///    All else being equal, nodes with higher priority numbers are executed first.
    ///    Thus, nodes corresponding to ops executed later are the first to be executed in
    ///    the backward pass. One caveat is that we prioritize AccumulateGrad nodes by
    ///    explicitly setting its sequence_nr to be UINT64_MAX.
    /// 2) The sequence number of this `Node` is paired with with thread_id it was created in
    ///    as a unique identifier by the profiler to annotate recorded events.
    ///    The purpose of this is to help users (and possibly programs) interpreting the profiler's
    ///    output to correlate backward nodes with its forward ops.
    ///    We need both sequence_nr and thread_id to identify a node because sequence_nr is
    ///    thread_local, i.e., starts counting up from zero in a new thread
    
    // Sequence number used to correlate backward nodes with forward ops in the
    // profiler and provide determinisim in the engine.
    const uint64_t sequence_nr_;
    
    // NOTE [ Topological Number ]
    //
    // topological_nr is used to prune branches in the DAG during autograd discovery as
    // maintaining topological_nr helps us check in O(1) if there does NOT exist
    // a directed path between two nodes.
    //
    // The topological order number of this `Node` representing the length of the
    // longest possible path from this Node to any leaf node. If you are leaf node,
    // aka AccumulateGrad, this will be zero. This value has the property that
    // For every pair of nodes X, Y in G, existence of a directed path from X to Y
    // implies topo_nr(X) > topo_nr(Y). The converse is not true, however, so we
    // cannot prove existence of a path from X to Y, only non-existence.
    //
    // One assumption we make when using topo_nr is that once a node
    // has been used, i.e., has a parent node, its own topo_nr does not change
    // we have added some checks with the `has_parent_` field to enforce this.
    //
    // What NOT to do:
    //
    //   1) 2 -> 1 -> 0               In this diagram we label nodes with their topo_nr.
    //      2 -> 1 -> 0               We have two simple graphs that can each arise from
    //                                `t.exp().exp()`, for example.
    //   2)        2 -> 1 -> 0
    //            /
    //      2 -> 1 -> 0               We add 2 as a next edge to 1 even though 1 already
    //                                has a parent.
    //   3)        2 -> 1 -> 0
    //            /
    //      2 -> 3 -> 0               2 < 3, yet there exists a path from 2 to 3!
    //
    uint64_t topological_nr_ = 0;
    
    // Tracks whether this node has been added as the next_edge of another node
    // via set_next_edge(s), which always calls topological_nr() of all its children
    // See NOTE [ Topological Number ] for why we need this.
    mutable bool has_parent_ = false;
    
    // Id of the thread that created the instance
    uint64_t thread_id_ = 0;
    
    std::mutex mutex_;
    
    // 前向过程中的输入variable,在前向过程中与该算子相关联的边
    edge_list next_edges_;
    PyObject* pyobj_ = nullptr; // weak reference
    std::unique_ptr<AnomalyMetadata> anomaly_metadata_ = nullptr;
    std::vector<std::unique_ptr<FunctionPreHook>> pre_hooks_;
    std::vector<std::unique_ptr<FunctionPostHook>> post_hooks_;
    at::SmallVector<InputMetadata, 2> input_metadata_;
    
    // 这里对运算符()进行重载,核心其实就是调用apply()
    variable_list operator()(variable_list&& inputs) {
    // In the first iteration of named tensors, autograd ignores names and
    // operates on unnamed tensors. In the long term, autograd should
    // probably operate with names.
    at::NoNamesGuard no_names_guard;
    
    bool pre_sampled = false;
    if (at::shouldRunRecordFunction(&pre_sampled)) {
    // Using RecordFunction to trigger observers in the backward pass
    at::RecordFunction guard(at::RecordScope::BACKWARD_FUNCTION, pre_sampled);
    if (guard.isActive()) {
    // Using sequence number and thread id to correlate with
    // the forward pass function
    guard.setForwardThreadId(thread_id_);
    if (guard.needsInputs()) {
    guard.before(
    name(),
    std::vector<c10::IValue>(inputs.begin(), inputs.end()),
    sequence_nr());
    } else {
    guard.before(name(), sequence_nr());
    }
    }
    // keeping stack guard object alive during the call
    return apply(std::move(inputs));
    } else {
    return apply(std::move(inputs));
    }
    }
    };

    其构造函数是:

    explicit Node(
    uint64_t sequence_nr,
    edge_list&& next_edges = edge_list())
    : sequence_nr_(sequence_nr),
    next_edges_(std::move(next_edges)) {
    
    for (const Edge& edge: next_edges_) {
    update_topological_nr(edge);
    }
    
    if (AnomalyMode::is_enabled()) {
    metadata()->store_stack();
    
    // If anomaly mode is enabled and graph is constructed, then assign the
    // currently evaluating node as the parent of this node.
    // A parent is a Node where this Node is created.
    // We are tracking the parents to track multiple backward operations.
    assign_parent();
    }
    
    // Store the thread_id of the forward operator.
    // See NOTE [ Sequence Numbers ]
    thread_id_ = at::RecordFunction::currentThreadId();
    }

    4.2 重要成员变量

    我们具体解释一些重要成员变量。

    4.2.1 input_metadata_

    input_metadata_ 代表了 input data 的元信息,界定了一个Function的输入参数。

    4.2.2 next_edges_

    这是在前向过程中与该算子相关联的边。

    我们将 PyTorch的autograd系统看作是一个图,每个 Node 实例就是图节点,各个 Node 实例之间则是通过Edge连接的。Edge是个结构体,通过 (Function, input_nr) 的配对来代表graph中的边。Node 的成员 next_edges_ 正是一组这样的Edge实例,其代表此 Node 实例的返回值要输出到的(另外)Node,即 next_edges_是 Node 和Node 之间的纽带。

    Node 的输入输出都是Variable实例,因此当一个graph被执行的时候,Variable实例就在这些edges之间来传输流动。当两个或者多个Edge指向同一个Node的时候(这个节点的入度大于1),这些edges的输出将被隐含相加起来再送给指向的目标 Node。

    用户可以使用add_next_edge()来向 Node 添加一个edge, 通过next_edge(index)获取对应的edge,通过next_edges()方法获得迭代edge的迭代器。

    4.2.3 sequence_nr_

    该变量用于将网络中的后向节点与前向操作关联起来,并且在引擎中提供确定信息。sequence_nr_ 随着Function实例的不断构建而单调增长,具体有两个用处:

    • 帮助确定节点在引擎中的执行优先级。在所有其他条件相同的情况下,优先级较高的节点将首先执行。因此,前向传播时后执行的操作就是后向传播之中先执行的操作。需要注意的一点是,对于 AccumulateGrad 节点,我们将sequence_nr显式地设置为UINT64_MAX。在PyTorch的反向图计算中,

      AccumulateGrad
      类型代表的就是叶子节点类型,也就是计算图终止节点。
      AccumulateGrad
      类中有一个
      .variable
      属性指向叶子节点。

    • 此“节点”的 sequence_nr_ 与 thread_id 一起搭配,作为一个节点的唯一标示,在 profiler 之中记录事件。这样做的目的是帮助用户(可能还有程序)解释 profiler 的输出,以便将向后的节点与其向前的操作关联起来。因为 sequence_nr 是 thread_local 类型变量,即在新线程中从零开始计数。

    4.2.4 topological_nr_

    此变量是 “节点”的拓扑顺序号,表示从该节点到任何叶节点的最长可能路径的长度。如果有一个叶节点,即AccumulateGrad,topological_nr_ 将是零。

    topological_nr_ 用于在autograd发现期间对DAG中的分支进行修剪,维护拓扑 topological_nr_有助于我们在两个节点之间不存在有向路径时,在O(1) 时间完成检查。

    topological_nr_ 具有以下属性:

    • 对于G中的每一对节点X,Y,如果存在从X到Y的有向路径,则意味着 topo_nr(X) > topo_nr(Y)。然而,事实并非如此,因此我们无法证明从X到Y的路径的存在性,只能证明不存在。
    • 我们在使用 topological_nr_ 时所做的一个假设是:一旦使用了一个节点,即它有一个父节点,那么它自己的topological_nr_ 就不会改变。我们在“has_parent_”字段中添加了一些检查来强制执行这一点。

    4.2.5 operator()

    variable_list operator()(variable_list&& inputs)
    是Node的主要方法。该方法接收vector封装的多个Variable实例,并输出vector封装的多个Variable实例,然后调用apply 具体业务函数。该方法依靠C++的多态,将对operator 的调用转化为对自身(子类)的apply方法调用。

    PyTorch中所有用于反向传播计算的函数都继承自Function类,并重写Function类中的apply纯虚函数。

    0x05 Edge

    从名字可知,Edge 就是计算图的边。主要变量是:

    • std::shared_ptr function :本边指向的目标Node。
    • uint32_t input_nr : 指定本Edge是 function 的第几个输入 。
    using tensor_list = std::vector<at::Tensor>;
    using variable_list = std::vector<Variable>;
    using edge_list = std::vector<Edge>;
    using saved_variable_list = std::vector<SavedVariable>;
    using IndexRange = std::pair<size_t, size_t>;
    
    /// Represents a particular input of a function.
    struct Edge {
    Edge() noexcept : function(nullptr), input_nr(0) {}
    
    Edge(std::shared_ptr<Node> function_, uint32_t input_nr_) noexcept
    : function(std::move(function_)), input_nr(input_nr_) {}
    
    /// Convenience method to test if an edge is valid.
    bool is_valid() const noexcept {
    return function != nullptr;
    }
    
    // Required for use in associative containers.
    bool operator==(const Edge& other) const noexcept {
    return this->function == other.function && this->input_nr == other.input_nr;
    }
    
    bool operator!=(const Edge& other) const noexcept {
    return !(*this == other);
    }
    
    /// The function this `Edge` points to.
    std::shared_ptr<Node> function; // 指向的Node
    
    /// The identifier of a particular input to the function.
    uint32_t input_nr; //指定本Edge是function的第几个输入
    };
    }} // namespace torch::autograd

    0x06 逻辑图

    我们把文初的逻辑图细化如下,上半部分是 Python 世界,下半部分是 C++世界:

    +--------------------------------------------+         +------------------------------+
    | SubBackward0                               |         | PowBackward0                 |
    |                                            |         |                              |  Edge
    |                                            |         |            next_functions  +----------> ...
    |   next_functions[0] = (PowBackward0, 0) +----------> |                              |
    |                                            |         +------------------------------+
    |                                            |
    |                                            |         +-------------------------------+
    |   next_functions[1] = (MulBackward0, 0) +----------> | MulBackward0                  |
    |                                            |         |                               |  Edge
    |                                            |         |             next_functions  +----------> ...
    +--------------------------------------------+         |                               |
    +-------------------------------+
    ^
    |
    |
    |                                                                            Python
    +--------------------------------------------------------------------------------------------------------+
    |                                                                            C++
    |
    v
    
    +---------------------------------------------+       +----------------------+        +------------------+
    | SubBackward0                                |       | Edge 1               |        | PowBackward0     |
    |                         +-------------------------> |                      |        |                  |
    |                         |                   |       |         function +----------> |                  |
    |                         +                   |       |                      |        |                  |
    |        next_edges_ = [Edge 1, Edge 2]       |       |         input_nr = 0 |        |                  |
    |                                  +          |       +----------------------+        +------------------+
    |                                  |          |
    |                                  |          |
    +---------------------------------------------+       +----------------------+        +------------------+
    |                  | Edge 2               |        | MulBackward0     |
    |                  |                      |        |                  |
    +----------------> |         function +----------> |                  |
    |                      |        |                  |
    |         input_nr = 0 |        |                  |
    |                      |        |                  |
    +----------------------+        +------------------+

    手机如下:

    至此,传播过程中的基础类已经分析完毕,下一篇我们介绍如何使用这些类来完成前向传播。

    0xFF 参考

    https://github.com/KeithYin/read-pytorch-source-code/

    pytorch学习笔记(十三):backward过程的底层实现解析

    PyTorch的初始化

    pytorch的自动求导机制 - 计算图的建立

    How autograd encodes the history

    https://pytorch.org/tutorials/beginner/blitz/autograd_tutorial.html

    pytorch笔记(计算图+autograd)-Node(1)

    详解Pytorch中的网络构造

    PyTorch的优化器

    PyTorch的分布式

    PyTorch的Tensor(下)

    PyTorch的Tensor(中)

    PyTorch的Tensor(上)

    PyTorch的动态图(下)

    PyTorch的动态图(上)

    计算图——用Pytorch解释李宏毅老师PPT中的实例

    如何使用pytorch自动求梯度

    PyTorch自动求导(Autograd)原理解析

    pytorch自动求导Autograd系列教程(一)

    PyTorch核心开发者亲自揭秘其内部机制

    PyTorch自动微分基本原理

    https://towardsdatascience.com/pytorch-autograd-understanding-the-heart-of-pytorchs-magic-2686cd94ec95

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