【Hackathon 6th No.39】XPINN 迁移至 PaddleScience #849
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HydrogenSulfate
requested changes
Apr 15, 2024
examples/xpinn/xpinn.py
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| import ppsci | ||
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| # For the use of the second derivative: paddle.cos, paddle.exp |
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可以删除注释里的paddle.exp，默认模式已经支持无限阶微分
examples/xpinn/xpinn.py
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| def xpinn_2d( | ||
| x1: paddle.Tensor, | ||
| y1: paddle.Tensor, | ||
| u1: paddle.Tensor, | ||
| x2: paddle.Tensor, | ||
| y2: paddle.Tensor, | ||
| u2: paddle.Tensor, | ||
| x3: paddle.Tensor, | ||
| y3: paddle.Tensor, | ||
| u3: paddle.Tensor, | ||
| xi1: paddle.Tensor, | ||
| yi1: paddle.Tensor, | ||
| u1i1: paddle.Tensor, | ||
| u2i1: paddle.Tensor, | ||
| xi2: paddle.Tensor, | ||
| yi2: paddle.Tensor, | ||
| u1i2: paddle.Tensor, | ||
| u3i2: paddle.Tensor, | ||
| ub: paddle.Tensor, | ||
| ub_pred: paddle.Tensor, | ||
| ): | ||
| u1_x = get_grad(u1, x1) | ||
| u1_y = get_grad(u1, y1) | ||
| u1_xx = get_grad(u1_x, x1) | ||
| u1_yy = get_grad(u1_y, y1) | ||
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| u2_x = get_grad(u2, x2) | ||
| u2_y = get_grad(u2, y2) | ||
| u2_xx = get_grad(u2_x, x2) | ||
| u2_yy = get_grad(u2_y, y2) | ||
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| u3_x = get_grad(u3, x3) | ||
| u3_y = get_grad(u3, y3) | ||
| u3_xx = get_grad(u3_x, x3) | ||
| u3_yy = get_grad(u3_y, y3) | ||
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| u1i1_x = get_grad(u1i1, xi1) | ||
| u1i1_y = get_grad(u1i1, yi1) | ||
| u1i1_xx = get_grad(u1i1_x, xi1) | ||
| u1i1_yy = get_grad(u1i1_y, yi1) | ||
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| u2i1_x = get_grad(u2i1, xi1) | ||
| u2i1_y = get_grad(u2i1, yi1) | ||
| u2i1_xx = get_grad(u2i1_x, xi1) | ||
| u2i1_yy = get_grad(u2i1_y, yi1) | ||
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| u1i2_x = get_grad(u1i2, xi2) | ||
| u1i2_y = get_grad(u1i2, yi2) | ||
| u1i2_xx = get_grad(u1i2_x, xi2) | ||
| u1i2_yy = get_grad(u1i2_y, yi2) | ||
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| u3i2_x = get_grad(u3i2, xi2) | ||
| u3i2_y = get_grad(u3i2, yi2) | ||
| u3i2_xx = get_grad(u3i2_x, xi2) | ||
| u3i2_yy = get_grad(u3i2_y, yi2) | ||
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| uavgi1 = (u1i1 + u2i1) / 2 | ||
| uavgi2 = (u1i2 + u3i2) / 2 | ||
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| # Residuals | ||
| f1 = u1_xx + u1_yy - (paddle.exp(x1) + paddle.exp(y1)) | ||
| f2 = u2_xx + u2_yy - (paddle.exp(x2) + paddle.exp(y2)) | ||
| f3 = u3_xx + u3_yy - (paddle.exp(x3) + paddle.exp(y3)) | ||
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| # Residual continuity conditions on the interfaces | ||
| fi1 = (u1i1_xx + u1i1_yy - (paddle.exp(xi1) + paddle.exp(yi1))) - ( | ||
| u2i1_xx + u2i1_yy - (paddle.exp(xi1) + paddle.exp(yi1)) | ||
| ) | ||
| fi2 = (u1i2_xx + u1i2_yy - (paddle.exp(xi2) + paddle.exp(yi2))) - ( | ||
| u3i2_xx + u3i2_yy - (paddle.exp(xi2) + paddle.exp(yi2)) | ||
| ) | ||
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| loss1 = ( | ||
| 20 * paddle.mean(paddle.square(ub - ub_pred)) | ||
| + paddle.mean(paddle.square(f1)) | ||
| + 1 * paddle.mean(paddle.square(fi1)) | ||
| + 1 * paddle.mean(paddle.square(fi2)) | ||
| + 20 * paddle.mean(paddle.square(u1i1 - uavgi1)) | ||
| + 20 * paddle.mean(paddle.square(u1i2 - uavgi2)) | ||
| ) | ||
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| loss2 = ( | ||
| paddle.mean(paddle.square(f2)) | ||
| + 1 * paddle.mean(paddle.square(fi1)) | ||
| + 20 * paddle.mean(paddle.square(u2i1 - uavgi1)) | ||
| ) | ||
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| loss3 = ( | ||
| paddle.mean(paddle.square(f3)) | ||
| + 1 * paddle.mean(paddle.square(fi2)) | ||
| + 20 * paddle.mean(paddle.square(u3i2 - uavgi2)) | ||
| ) | ||
| return loss1, loss2, loss3 |
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- 函数内重复代码过多，建议化简下
- 这样的XPINN写法感觉不太具备可扩展性，换一个案例这个函数就不能用了
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重新实现了XPINN的loss函数
examples/xpinn/xpinn.py
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| def loss_fun( | ||
| output_dict: Dict[str, paddle.Tensor], | ||
| label_dict: Dict[str, paddle.Tensor], | ||
| *args, | ||
| ): | ||
| loss1, loss2, loss3 = xpinn_2d( | ||
| output_dict["x_f1"], | ||
| output_dict["y_f1"], | ||
| output_dict["u1"], | ||
| output_dict["x_f2"], | ||
| output_dict["y_f2"], | ||
| output_dict["u2"], | ||
| output_dict["x_f3"], | ||
| output_dict["y_f3"], | ||
| output_dict["u3"], | ||
| output_dict["xi1"], | ||
| output_dict["yi1"], | ||
| output_dict["u1i1"], | ||
| output_dict["u2i1"], | ||
| output_dict["xi2"], | ||
| output_dict["yi2"], | ||
| output_dict["u1i2"], | ||
| output_dict["u3i2"], | ||
| label_dict["ub"], | ||
| output_dict["ub_pred"], | ||
| ) | ||
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| return loss1 + loss2 + loss3 |
examples/xpinn/xpinn.py
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| ) | ||
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| error_u_total = paddle.linalg.norm( | ||
| paddle.squeeze(u_exact) - u_pred.flatten(), 2 |
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squeeze改为flatten，两边语义一致
examples/xpinn/xpinn.py
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| "input_keys": ( | ||
| "x_f1", | ||
| "y_f1", | ||
| "x_f2", | ||
| "y_f2", | ||
| "x_f3", | ||
| "y_f3", | ||
| "xi1", | ||
| "yi1", | ||
| "xi2", | ||
| "yi2", | ||
| "xb", | ||
| "yb", | ||
| ), |
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分解后的input_keys可以由基本的input_keys+XPINN生成，不建议使用hard code
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input_keys 放在了配置文件中
examples/xpinn/xpinn.py
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| "xb", | ||
| "yb", | ||
| ), | ||
| "label_keys": ("ub", "u_exact", "u_exact2", "u_exact3"), |
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u_exact==>u_exact1?
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数据集中的名字是 u_exact
examples/xpinn/xpinn.py
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| x1=input_["x_f1"], | ||
| y1=input_["y_f1"], | ||
| x2=input_["x_f2"], | ||
| y2=input_["y_f2"], | ||
| x3=input_["x_f3"], | ||
| y3=input_["y_f3"], | ||
| xi1=input_["xi1"], | ||
| yi1=input_["yi1"], | ||
| xi2=input_["xi2"], | ||
| yi2=input_["yi2"], | ||
| xb=input_["xb"], | ||
| yb=input_["yb"], |
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不建议使用x_f1、xb、yi1这类命名方式，看不太出来每个字段的含义
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好的，修改了命名
examples/xpinn/xpinn.py
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| "input_keys": ( | ||
| "x_f1", | ||
| "y_f1", | ||
| "x_f2", | ||
| "y_f2", | ||
| "x_f3", | ||
| "y_f3", | ||
| "xi1", | ||
| "yi1", | ||
| "xi2", | ||
| "yi2", | ||
| "xb", | ||
| "yb", | ||
| ), |
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不建议使用x_f1、xb、yi1这类命名方式，看不太出来每个字段的含义
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好的，修改了命名
examples/xpinn/xpinn.py
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| ): | ||
| for key in in_: | ||
| in_[key] = paddle.cast(in_[key], paddle.float64) | ||
| return in_, _label, _weight |
HydrogenSulfate
requested changes
May 11, 2024
ppsci/utils/reader.py
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| if not np.issubdtype(data_dict[key].dtype, np.integer): | ||
| if ( | ||
| not np.issubdtype(data_dict[key].dtype, np.integer) | ||
| and data_dict[key].dtype != np.float64 |
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这里这么改会导致float64类型的数据不能被转换为float32，模型训练时数据与权重参数类型不匹配而报错。
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之前误以为有些算子只支持float64，已经修改。文档还在编写中。
HydrogenSulfate
requested changes
May 14, 2024
examples/xpinn/xpinn.py
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| def get_grad(outputs: paddle.Tensor, inputs: paddle.Tensor) -> paddle.Tensor: | ||
| grad = paddle.grad(outputs, inputs, retain_graph=True, create_graph=True) | ||
| return grad[0] | ||
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这个函数看起来只被单独调用，建议放到get_second_derivatives上方，并且函数名前加上单个下划线
examples/xpinn/xpinn.py
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| residual_func (Callable, optional): residual calculation function. Defaults to lambda x,y : x - y. | ||
| """ | ||
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| def get_second_derivatives( |
examples/xpinn/xpinn.py
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| return grad[0] | ||
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| def xpinn_loss( |
| ] | ||
| ) | ||
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| # the shape of label_dict["residual_u_exact"] is [22387, 1], and be cut into [18211, 1] `_eval_by_dataset`(ppsci/solver/eval.py). |
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这个注释是什么意思呢？是输入的样本点数不等于输出的样本点数，导致在_eval_by_dataset被丢掉？
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是的，输入的样本点数小于标签点数，数据集提供的label_dict["residual_u_exact"] 本来包含了label_dict["residual2_u_exact"] 和 label_dict["residual3_u_exact"]。
examples/xpinn/xpinn.py
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| error_u_total = paddle.linalg.norm( | ||
| u_exact.flatten() - u_pred.flatten(), 2 | ||
| ) / paddle.linalg.norm(u_exact.flatten(), 2) | ||
| return {"total": error_u_total} |
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huohuohuohuohuo123
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to huohuohuohuohuo123/PaddleScience
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this pull request
Aug 12, 2024
* add XPINNs example * comment * add conf file * refine code * fix comment * fix data type * fix data type * Update examples/xpinn/plotting.py * Update examples/xpinn/conf/xpinn.yaml * refine code * refine doc * refine doc * fix doc * fix bugs --------- Co-authored-by: HydrogenSulfate <490868991@qq.com>
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原案例精度：0.04685
复现精度：0.04177