# Copyright (c) Microsoft Corporation. # Licensed under the MIT License. from __future__ import division from __future__ import print_function import os import numpy as np import pandas as pd import copy from sklearn.metrics import roc_auc_score, mean_squared_error import logging from ...utils import ( unpack_archive_with_buffer, save_multiple_parts_file, get_or_create_path, drop_nan_by_y_index, ) from ...log import get_module_logger, TimeInspector import torch import torch.nn as nn import torch.optim as optim import torch.nn.functional as F from torch.autograd import Function from .pytorch_utils import count_parameters from ...model.base import Model from ...data.dataset import DatasetH from ...data.dataset.handler import DataHandlerLP class TabnetModel(Model): def __init__( self, d_feat=158, out_dim=64, final_out_dim=1, batch_size=4096, n_d=64, n_a=64, n_shared=2, n_ind=2, n_steps=5, n_epochs=100, pretrain_n_epochs=50, relax=1.3, vbs=2048, seed=993, optimizer="adam", loss="mse", metric="", early_stop=20, GPU=0, pretrain_loss="custom", ps=0.3, lr=0.01, pretrain=True, pretrain_file=None, ): """ TabNet model for Qlib Args: ps: probability to generate the bernoulli mask """ # set hyper-parameters. self.d_feat = d_feat self.out_dim = out_dim self.final_out_dim = final_out_dim self.lr = lr self.batch_size = batch_size self.optimizer = optimizer.lower() self.pretrain_loss = pretrain_loss self.seed = seed self.ps = ps self.n_epochs = n_epochs self.logger = get_module_logger("TabNet") self.pretrain_n_epochs = pretrain_n_epochs self.device = "cuda:%s" % (GPU) if torch.cuda.is_available() and GPU >= 0 else "cpu" self.loss = loss self.metric = metric self.early_stop = early_stop self.pretrain = pretrain self.pretrain_file = get_or_create_path(pretrain_file) self.logger.info( "TabNet:" "\nbatch_size : {}" "\nvirtual bs : {}" "\ndevice : {}" "\npretrain: {}".format(self.batch_size, vbs, self.device, self.pretrain) ) self.fitted = False np.random.seed(self.seed) torch.manual_seed(self.seed) self.tabnet_model = TabNet( inp_dim=self.d_feat, out_dim=self.out_dim, vbs=vbs, relax=relax, device=self.device ).to(self.device) self.tabnet_decoder = TabNet_Decoder(self.out_dim, self.d_feat, n_shared, n_ind, vbs, n_steps, self.device).to( self.device ) self.logger.info("model:\n{:}\n{:}".format(self.tabnet_model, self.tabnet_decoder)) self.logger.info("model size: {:.4f} MB".format(count_parameters([self.tabnet_model, self.tabnet_decoder]))) if optimizer.lower() == "adam": self.pretrain_optimizer = optim.Adam( list(self.tabnet_model.parameters()) + list(self.tabnet_decoder.parameters()), lr=self.lr ) self.train_optimizer = optim.Adam(self.tabnet_model.parameters(), lr=self.lr) elif optimizer.lower() == "gd": self.pretrain_optimizer = optim.SGD( list(self.tabnet_model.parameters()) + list(self.tabnet_decoder.parameters()), lr=self.lr ) self.train_optimizer = optim.SGD(self.tabnet_model.parameters(), lr=self.lr) else: raise NotImplementedError("optimizer {} is not supported!".format(optimizer)) @property def use_gpu(self): return self.device != torch.device("cpu") def pretrain_fn(self, dataset=DatasetH, pretrain_file="./pretrain/best.model"): get_or_create_path(pretrain_file) [df_train, df_valid] = dataset.prepare( ["pretrain", "pretrain_validation"], col_set=["feature", "label"], data_key=DataHandlerLP.DK_L, ) df_train.fillna(df_train.mean(), inplace=True) df_valid.fillna(df_valid.mean(), inplace=True) x_train = df_train["feature"] x_valid = df_valid["feature"] # Early stop setup stop_steps = 0 train_loss = 0 best_loss = np.inf for epoch_idx in range(self.pretrain_n_epochs): self.logger.info("epoch: %s" % (epoch_idx)) self.logger.info("pre-training...") self.pretrain_epoch(x_train) self.logger.info("evaluating...") train_loss = self.pretrain_test_epoch(x_train) valid_loss = self.pretrain_test_epoch(x_valid) self.logger.info("train %.6f, valid %.6f" % (train_loss, valid_loss)) if valid_loss < best_loss: self.logger.info("Save Model...") torch.save(self.tabnet_model.state_dict(), pretrain_file) best_loss = valid_loss else: stop_steps += 1 if stop_steps >= self.early_stop: self.logger.info("early stop") break def fit( self, dataset: DatasetH, evals_result=dict(), save_path=None, ): if self.pretrain: # there is a pretrained model, load the model self.logger.info("Pretrain...") self.pretrain_fn(dataset, self.pretrain_file) self.logger.info("Load Pretrain model") self.tabnet_model.load_state_dict(torch.load(self.pretrain_file)) # adding one more linear layer to fit the final output dimension self.tabnet_model = FinetuneModel(self.out_dim, self.final_out_dim, self.tabnet_model).to(self.device) df_train, df_valid = dataset.prepare( ["train", "valid"], col_set=["feature", "label"], data_key=DataHandlerLP.DK_L, ) df_train.fillna(df_train.mean(), inplace=True) x_train, y_train = df_train["feature"], df_train["label"] x_valid, y_valid = df_valid["feature"], df_valid["label"] save_path = get_or_create_path(save_path) stop_steps = 0 train_loss = 0 best_score = -np.inf best_epoch = 0 evals_result["train"] = [] evals_result["valid"] = [] self.logger.info("training...") self.fitted = True for epoch_idx in range(self.n_epochs): self.logger.info("epoch: %s" % (epoch_idx)) self.logger.info("training...") self.train_epoch(x_train, y_train) self.logger.info("evaluating...") train_loss, train_score = self.test_epoch(x_train, y_train) valid_loss, val_score = self.test_epoch(x_valid, y_valid) self.logger.info("train %.6f, valid %.6f" % (train_score, val_score)) evals_result["train"].append(train_score) evals_result["valid"].append(val_score) if val_score > best_score: best_score = val_score stop_steps = 0 best_epoch = epoch_idx best_param = copy.deepcopy(self.tabnet_model.state_dict()) else: stop_steps += 1 if stop_steps >= self.early_stop: self.logger.info("early stop") break self.logger.info("best score: %.6lf @ %d" % (best_score, best_epoch)) self.tabnet_model.load_state_dict(best_param) torch.save(best_param, save_path) if self.use_gpu: torch.cuda.empty_cache() def predict(self, dataset): if not self.fitted: raise ValueError("model is not fitted yet!") x_test = dataset.prepare("test", col_set="feature", data_key=DataHandlerLP.DK_I) index = x_test.index self.tabnet_model.eval() x_values = torch.from_numpy(x_test.values) x_values[torch.isnan(x_values)] = 0 sample_num = x_values.shape[0] preds = [] for begin in range(sample_num)[:: self.batch_size]: if sample_num - begin < self.batch_size: end = sample_num else: end = begin + self.batch_size x_batch = x_values[begin:end].float().to(self.device) priors = torch.ones(end - begin, self.d_feat).to(self.device) with torch.no_grad(): pred = self.tabnet_model(x_batch, priors).detach().cpu().numpy() preds.append(pred) return pd.Series(np.concatenate(preds), index=index) def test_epoch(self, data_x, data_y): # prepare training data x_values = torch.from_numpy(data_x.values) y_values = torch.from_numpy(np.squeeze(data_y.values)) x_values[torch.isnan(x_values)] = 0 y_values[torch.isnan(y_values)] = 0 self.tabnet_model.eval() scores = [] losses = [] indices = np.arange(len(x_values)) for i in range(len(indices))[:: self.batch_size]: if len(indices) - i < self.batch_size: break feature = x_values[indices[i : i + self.batch_size]].float().to(self.device) label = y_values[indices[i : i + self.batch_size]].float().to(self.device) priors = torch.ones(self.batch_size, self.d_feat).to(self.device) with torch.no_grad(): pred = self.tabnet_model(feature, priors) loss = self.loss_fn(pred, label) losses.append(loss.item()) score = self.metric_fn(pred, label) scores.append(score.item()) return np.mean(losses), np.mean(scores) def train_epoch(self, x_train, y_train): x_train_values = torch.from_numpy(x_train.values) y_train_values = torch.from_numpy(np.squeeze(y_train.values)) x_train_values[torch.isnan(x_train_values)] = 0 y_train_values[torch.isnan(y_train_values)] = 0 self.tabnet_model.train() indices = np.arange(len(x_train_values)) np.random.shuffle(indices) for i in range(len(indices))[:: self.batch_size]: if len(indices) - i < self.batch_size: break feature = x_train_values[indices[i : i + self.batch_size]].float().to(self.device) label = y_train_values[indices[i : i + self.batch_size]].float().to(self.device) priors = torch.ones(self.batch_size, self.d_feat).to(self.device) pred = self.tabnet_model(feature, priors) loss = self.loss_fn(pred, label) self.train_optimizer.zero_grad() loss.backward() torch.nn.utils.clip_grad_value_(self.tabnet_model.parameters(), 3.0) self.train_optimizer.step() def pretrain_epoch(self, x_train): train_set = torch.from_numpy(x_train.values) train_set[torch.isnan(train_set)] = 0 indices = np.arange(len(train_set)) np.random.shuffle(indices) self.tabnet_model.train() self.tabnet_decoder.train() for i in range(len(indices))[:: self.batch_size]: if len(indices) - i < self.batch_size: break S_mask = torch.bernoulli(torch.empty(self.batch_size, self.d_feat).fill_(self.ps)) x_train_values = train_set[indices[i : i + self.batch_size]] * (1 - S_mask) y_train_values = train_set[indices[i : i + self.batch_size]] * (S_mask) S_mask = S_mask.to(self.device) feature = x_train_values.float().to(self.device) label = y_train_values.float().to(self.device) priors = 1 - S_mask (vec, sparse_loss) = self.tabnet_model(feature, priors) f = self.tabnet_decoder(vec) loss = self.pretrain_loss_fn(label, f, S_mask) self.pretrain_optimizer.zero_grad() loss.backward() self.pretrain_optimizer.step() def pretrain_test_epoch(self, x_train): train_set = torch.from_numpy(x_train.values) train_set[torch.isnan(train_set)] = 0 indices = np.arange(len(train_set)) self.tabnet_model.eval() self.tabnet_decoder.eval() losses = [] for i in range(len(indices))[:: self.batch_size]: if len(indices) - i < self.batch_size: break S_mask = torch.bernoulli(torch.empty(self.batch_size, self.d_feat).fill_(self.ps)) x_train_values = train_set[indices[i : i + self.batch_size]] * (1 - S_mask) y_train_values = train_set[indices[i : i + self.batch_size]] * (S_mask) feature = x_train_values.float().to(self.device) label = y_train_values.float().to(self.device) S_mask = S_mask.to(self.device) priors = 1 - S_mask with torch.no_grad(): (vec, sparse_loss) = self.tabnet_model(feature, priors) f = self.tabnet_decoder(vec) loss = self.pretrain_loss_fn(label, f, S_mask) losses.append(loss.item()) return np.mean(losses) def pretrain_loss_fn(self, f_hat, f, S): """ Pretrain loss function defined in the original paper, read "Tabular self-supervised learning" in https://arxiv.org/pdf/1908.07442.pdf """ down_mean = torch.mean(f, dim=0) down = torch.sqrt(torch.sum(torch.square(f - down_mean), dim=0)) up = (f_hat - f) * S return torch.sum(torch.square(up / down)) def loss_fn(self, pred, label): mask = ~torch.isnan(label) if self.loss == "mse": return self.mse(pred[mask], label[mask]) raise ValueError("unknown loss `%s`" % self.loss) def metric_fn(self, pred, label): mask = torch.isfinite(label) if self.metric == "" or self.metric == "loss": return -self.loss_fn(pred[mask], label[mask]) raise ValueError("unknown metric `%s`" % self.metric) def mse(self, pred, label): loss = (pred - label) ** 2 return torch.mean(loss) class FinetuneModel(nn.Module): """ FinuetuneModel for adding a layer by the end """ def __init__(self, input_dim, output_dim, trained_model): super().__init__() self.model = trained_model self.fc = nn.Linear(input_dim, output_dim) def forward(self, x, priors): return self.fc(self.model(x, priors)[0]).squeeze() # take the vec out class DecoderStep(nn.Module): def __init__(self, inp_dim, out_dim, shared, n_ind, vbs, device): super().__init__() self.fea_tran = FeatureTransformer(inp_dim, out_dim, shared, n_ind, vbs, device) self.fc = nn.Linear(out_dim, out_dim) def forward(self, x): x = self.fea_tran(x) return self.fc(x) class TabNet_Decoder(nn.Module): def __init__(self, inp_dim, out_dim, n_shared, n_ind, vbs, n_steps, device): """ TabNet decoder that is used in pre-training """ self.out_dim = out_dim super().__init__() if n_shared > 0: self.shared = nn.ModuleList() self.shared.append(nn.Linear(inp_dim, 2 * out_dim)) for x in range(n_shared - 1): self.shared.append(nn.Linear(out_dim, 2 * out_dim)) # preset the linear function we will use else: self.shared = None self.n_steps = n_steps self.steps = nn.ModuleList() for x in range(n_steps): self.steps.append(DecoderStep(inp_dim, out_dim, self.shared, n_ind, vbs, device)) def forward(self, x): out = torch.zeros(x.size(0), self.out_dim).to(x.device) for step in self.steps: out += step(x) return out class TabNet(nn.Module): def __init__( self, inp_dim=6, out_dim=6, n_d=64, n_a=64, n_shared=2, n_ind=2, n_steps=5, relax=1.2, vbs=1024, device="cpu" ): """ TabNet AKA the original encoder Args: n_d: dimension of the features used to calculate the final results n_a: dimension of the features input to the attention transformer of the next step n_shared: numbr of shared steps in feature transfomer(optional) n_ind: number of independent steps in feature transformer n_steps: number of steps of pass through tabbet relax coefficient: virtual batch size: """ super().__init__() # set the number of shared step in feature transformer if n_shared > 0: self.shared = nn.ModuleList() self.shared.append(nn.Linear(inp_dim, 2 * (n_d + n_a))) for x in range(n_shared - 1): self.shared.append(nn.Linear(n_d + n_a, 2 * (n_d + n_a))) # preset the linear function we will use else: self.shared = None self.first_step = FeatureTransformer(inp_dim, n_d + n_a, self.shared, n_ind, vbs, device) self.steps = nn.ModuleList() for x in range(n_steps - 1): self.steps.append(DecisionStep(inp_dim, n_d, n_a, self.shared, n_ind, relax, vbs, device)) self.fc = nn.Linear(n_d, out_dim) self.bn = nn.BatchNorm1d(inp_dim, momentum=0.01) self.n_d = n_d def forward(self, x, priors): assert not torch.isnan(x).any() x = self.bn(x) x_a = self.first_step(x)[:, self.n_d :] sparse_loss = torch.zeros(1).to(x.device) out = torch.zeros(x.size(0), self.n_d).to(x.device) for step in self.steps: x_te, l = step(x, x_a, priors) out += F.relu(x_te[:, : self.n_d]) # split the feautre from feat_transformer x_a = x_te[:, self.n_d :] sparse_loss += l return self.fc(out), sparse_loss class GBN(nn.Module): """ Ghost Batch Normalization an efficient way of doing batch normalization Args: vbs: virtual batch size """ def __init__(self, inp, vbs=1024, momentum=0.01): super().__init__() self.bn = nn.BatchNorm1d(inp, momentum=momentum) self.vbs = vbs def forward(self, x): chunk = torch.chunk(x, x.size(0) // self.vbs, 0) res = [self.bn(y) for y in chunk] return torch.cat(res, 0) class GLU(nn.Module): """ GLU block that extracts only the most essential information Args: vbs: virtual batch size """ def __init__(self, inp_dim, out_dim, fc=None, vbs=1024): super().__init__() if fc: self.fc = fc else: self.fc = nn.Linear(inp_dim, out_dim * 2) self.bn = GBN(out_dim * 2, vbs=vbs) self.od = out_dim def forward(self, x): x = self.bn(self.fc(x)) return torch.mul(x[:, : self.od], torch.sigmoid(x[:, self.od :])) class AttentionTransformer(nn.Module): """ Args: relax: relax coefficient. The greater it is, we can use the same features more. When it is set to 1 we can use every feature only once """ def __init__(self, d_a, inp_dim, relax, vbs=1024): super().__init__() self.fc = nn.Linear(d_a, inp_dim) self.bn = GBN(inp_dim, vbs=vbs) self.r = relax # a:feature from previous decision step def forward(self, a, priors): a = self.bn(self.fc(a)) mask = SparsemaxFunction.apply(a * priors) priors = priors * (self.r - mask) # updating the prior return mask class FeatureTransformer(nn.Module): def __init__(self, inp_dim, out_dim, shared, n_ind, vbs, device): super().__init__() first = True self.shared = nn.ModuleList() if shared: self.shared.append(GLU(inp_dim, out_dim, shared[0], vbs=vbs)) first = False for fc in shared[1:]: self.shared.append(GLU(out_dim, out_dim, fc, vbs=vbs)) else: self.shared = None self.independ = nn.ModuleList() if first: self.independ.append(GLU(inp, out_dim, vbs=vbs)) for x in range(first, n_ind): self.independ.append(GLU(out_dim, out_dim, vbs=vbs)) self.scale = torch.sqrt(torch.tensor([0.5], device=device)) def forward(self, x): if self.shared: x = self.shared[0](x) for glu in self.shared[1:]: x = torch.add(x, glu(x)) x = x * self.scale for glu in self.independ: x = torch.add(x, glu(x)) x = x * self.scale return x class DecisionStep(nn.Module): """ One step for the TabNet """ def __init__(self, inp_dim, n_d, n_a, shared, n_ind, relax, vbs, device): super().__init__() self.atten_tran = AttentionTransformer(n_a, inp_dim, relax, vbs) self.fea_tran = FeatureTransformer(inp_dim, n_d + n_a, shared, n_ind, vbs, device) def forward(self, x, a, priors): mask = self.atten_tran(a, priors) sparse_loss = ((-1) * mask * torch.log(mask + 1e-10)).mean() x = self.fea_tran(x * mask) return x, sparse_loss def make_ix_like(input, dim=0): d = input.size(dim) rho = torch.arange(1, d + 1, device=input.device, dtype=input.dtype) view = [1] * input.dim() view[0] = -1 return rho.view(view).transpose(0, dim) class SparsemaxFunction(Function): """ SparseMax function for replacing reLU """ @staticmethod def forward(ctx, input, dim=-1): ctx.dim = dim max_val, _ = input.max(dim=dim, keepdim=True) input -= max_val # same numerical stability trick as for softmax tau, supp_size = SparsemaxFunction.threshold_and_support(input, dim=dim) output = torch.clamp(input - tau, min=0) ctx.save_for_backward(supp_size, output) return output @staticmethod def backward(ctx, grad_output): supp_size, output = ctx.saved_tensors dim = ctx.dim grad_input = grad_output.clone() grad_input[output == 0] = 0 v_hat = grad_input.sum(dim=dim) / supp_size.to(output.dtype).squeeze() v_hat = v_hat.unsqueeze(dim) grad_input = torch.where(output != 0, grad_input - v_hat, grad_input) return grad_input, None @staticmethod def threshold_and_support(input, dim=-1): input_srt, _ = torch.sort(input, descending=True, dim=dim) input_cumsum = input_srt.cumsum(dim) - 1 rhos = make_ix_like(input, dim) support = rhos * input_srt > input_cumsum support_size = support.sum(dim=dim).unsqueeze(dim) tau = input_cumsum.gather(dim, support_size - 1) tau /= support_size.to(input.dtype) return tau, support_size