Fixed model, restructured files

.gitignore

@@ -1 +1,2 @@
 *__pycache__*
+.old

readme.md

@@ -1,2 +1,13 @@
 # Machine Learning stuff for TENG project
+(Bi)LSTM for name classification.  
+More information on the project are [on my website](https://quintern.xyz/en/teng.html).
+
+## Model training
+Adjust the parameters in `main.py` and run it.  
+All models and the settings they were trained with are automatically serialized with pickle and stored in a subfolder
+of the `<model_dir>` that was set in `main.py`.
+
+
+## Model evaluation
+Run `find_best_model.py <model_dir>` with the `<model_dir>` specified in `main.py` during training.
 

teng-ml/main.py

@@ -7,20 +7,22 @@ if __name__ == "__main__":
         filepath = path.realpath(path.abspath(__file__))
         sys.path.insert(0, path.dirname(path.dirname(filepath)))
 
+from sys import exit
 import matplotlib.pyplot as plt
 import pandas as pd
 import torch
 import torch.nn as nn
-import torch.nn.utils.rnn as rnn_utils
 from torch.utils.data import DataLoader
-import json
+import itertools
 import time
-import pickle
+from os import makedirs, path
 
 from .util.transform import ConstantInterval, Normalize
 from .util.data_loader import load_datasets, LabelConverter
-from .util.epoch_tracker import EpochTracker
+from .util.split import DataSplitter
 from .util.settings import MLSettings
+from .rnn.rnn import RNN
+from .rnn.training import train_validate_save, select_device
 
 def test_interpol():
     file = "/home/matth/data/2023-04-27_glass_8.2V_179mm000.csv"
@@ -35,187 +37,92 @@ def test_interpol():
     ax1.plot(interp_array[:,0], interp_array[:,1], color="r", label="Interpolated")
     ax1.scatter(array[:,0], array[:,2], color="g", label="Original")
     ax1.legend()
-    plt.show()
+    # plt.show()
+
 
 if __name__ == "__main__":
-    device = (
-        "cuda"
-        if torch.cuda.is_available()
-        else "mps"
-        if torch.backends.mps.is_available()
-        else "cpu"
-    )
-
-
     labels = LabelConverter(["foam", "glass", "kapton", "foil", "cloth", "rigid_foam"])
+    models_dir = "/home/matth/Uni/TENG/models"  # where to save models, settings and results
+    if not path.isdir(models_dir):
+        makedirs(models_dir)
+    data_dir = "/home/matth/Uni/TENG/data"
+
+
+    # Test with
+    num_layers = [ 3 ]
+    hidden_size = [ 8 ]
+    bidirectional = [ True ]
     t_const_int = ConstantInterval(0.01)
     t_norm = Normalize(0, 1)
-    transforms = [ t_const_int, t_norm ]
-    st = MLSettings(num_features=1,
-                    num_layers=1,
-                    hidden_size=1,
-                    bidirectional=True,
-                    transforms=transforms,
-                    num_epochs=40,
-                    batch_size=3,
-                    labels=labels,
-                )
+    transforms = [[ t_const_int ]] #, [ t_const_int, t_norm ]]
+    batch_sizes = [ 64 ]  # , 16]
+    splitters = [ DataSplitter(100) ]
+    num_epochs = [ 80 ]
 
-    print(f"Using device: {device}")
+     # num_layers=1,
+     # hidden_size=1,
+     # bidirectional=True,
+     # optimizer=None,
+     # scheduler=None,
+     # loss_func=None,
+     # transforms=[],
+     # splitter=None,
+     # num_epochs=10,
+     # batch_size=5,
+    args = [num_layers, hidden_size, bidirectional, [None], [None], [None], transforms, splitters, num_epochs, batch_sizes]
 
+    # create settings for every possible combination
+    settings = [
+        MLSettings(1, *params, labels) for params in itertools.product(*args)
+    ]
 
-    train_set, test_set = load_datasets("/home/matth/Uni/TENG/data", labels, voltage=8.2, transforms=st.transforms, train_to_test_ratio=0.7, random_state=42)
+    loss_func = nn.CrossEntropyLoss()
+    optimizers = [
+        lambda model: torch.optim.Adam(model.parameters(), lr=0.03),
+        # lambda model: torch.optim.Adam(model.parameters(), lr=0.25),
+        # lambda model: torch.optim.Adam(model.parameters(), lr=0.50),
+    ]
+    schedulers = [
+        lambda optimizer, st: torch.optim.lr_scheduler.ExponentialLR(optimizer, gamma=0.9),
+        lambda optimizer, st: torch.optim.lr_scheduler.StepLR(optimizer, step_size=st.num_epochs // 10, gamma=0.40, verbose=False),
+        # lambda optimizer, st: torch.optim.lr_scheduler.StepLR(optimizer, step_size=st.num_epochs // 10, gamma=0.75, verbose=False),
+    ]
 
+    n_total = len(settings) * len(optimizers) * len(schedulers)
+    print(f"Testing {n_total} possible configurations")
+    # scheduler2 = 
+    def create_model(st, optimizer_f, scheduler_f):
+        model=RNN(input_size=st.num_features, hidden_size=st.hidden_size, num_layers=st.num_layers, num_classes=len(labels), bidirectional=st.bidirectional)
+        optimizer = optimizer_f(model)
+        scheduler = scheduler_f(optimizer, st)
+        return model, optimizer, scheduler
+
+    t_begin = time.time()
+    n = 1
+    for o in range(len(optimizers)):
+        for s in range(len(schedulers)):
+            for i in range(len(settings)):
+                st = settings[i]
+                # print(st.get_name())
+                train_set, test_set = load_datasets(data_dir, labels, voltage=8.2, transforms=st.transforms, split_function=st.splitter, train_to_test_ratio=0.7, random_state=42, num_workers=4)
+
+                generator = torch.manual_seed(42)
                 # train_loader = iter(DataLoader(train_set))
                 # test_loader = iter(DataLoader(test_set))
-    train_loader = DataLoader(train_set, batch_size=st.batch_size, shuffle=True)
-    test_loader = DataLoader(test_set, batch_size=st.batch_size, shuffle=True)
-
-    class RNN(nn.Module):
-        def __init__(self, input_size, hidden_size, num_layers, num_classes, bidirectional):
-            super(RNN, self).__init__()
-            self.num_layers = num_layers
-            self.hidden_size = hidden_size
-            self.is_bidirectional = bidirectional
-            self.lstm = nn.LSTM(input_size, hidden_size, num_layers, batch_first=True, bidirectional=bidirectional)
-            # x = (batch_size, sequence, feature)
-
-            if bidirectional == True:
-              self.fc = nn.Linear(hidden_size * 2, num_classes)
-            else:
-              self.fc = nn.Linear(hidden_size, num_classes)
-
-            self.softmax = nn.Softmax(dim=1)
-
-        def forward(self, x):
-            # x: batches, length, features
-            # print(f"forward pass")
-            D = 2 if self.is_bidirectional == True else 1
-
-            # print(f"x({x.shape})=...")
-            batch_size = x.shape[0]
-            # print(f"batch_size={batch_size}")
-
-            h0 = torch.zeros(D * self.num_layers, batch_size, self.hidden_size).to(device)
-            # print(f"h1({h0.shape})=...")
-            c0 = torch.zeros(D * self.num_layers, batch_size, self.hidden_size).to(device)
-            x.to(device)
-            _, (h_n, _) = self.lstm(x, (h0, c0))
-            # print(f"h_n({h_n.shape})=...")
-            final_state  = h_n.view(self.num_layers, D, batch_size, self.hidden_size)[-1]     # num_layers, num_directions, batch, hidden_size
-            # print(f"final_state({final_state.shape})=...")
-
-            if D == 1:
-                X = final_state.squeeze()  # TODO what if batch_size == 1
-            elif D == 2:
-              h_1, h_2 = final_state[0], final_state[1]  # forward & backward pass
-              #X = h_1 + h_2                        # Add both states
-              X = torch.cat((h_1, h_2), 1)          # Concatenate both states, X-size: (Batch, hidden_size * 2）
-            else:
-                raise ValueError("D must be 1 or 2")
-            # print(f"X({X.shape})={X}")
-            output = self.fc(X) # fully-connected layer
-            # print(f"out({output.shape})={output}")
-            output = self.softmax(output)
-            # print(f"out({output.shape})={output}")
-            return output
-
-    model=RNN(input_size=st.num_features, hidden_size=st.hidden_size, num_layers=st.num_layers, num_classes=len(labels), bidirectional=st.bidirectional).to(device)
-    loss_func = torch.nn.CrossEntropyLoss()
-    optimizer = torch.optim.Adam(model.parameters(), lr=0.02)
-    scheduler = torch.optim.lr_scheduler.ExponentialLR(optimizer, gamma=0.95)
-
-    print(f"model:", model)
-    print(f"loss_func={loss_func}")
-    print(f"optimizer={optimizer}")
-    print(f"scheduler={scheduler}")
-
-
-
-    epoch_tracker = EpochTracker(labels)
-
-    print(f"train_loader")
-    for i, (data, y) in enumerate(train_loader):
-        print(y)
-        print(f"{i:3} - {torch.argmax(y, dim=1, keepdim=False)}")
-
-
-# training 
-    epoch_tracker.train_begin()
-    for ep in range(st.num_epochs):
-        for i, (data, y) in enumerate(train_loader):
-            # print(data, y)
-            # data = batch, seq, features
-            # print(f"data({data.shape})={data}")
-            x = data[:,:,[2]].float()   # select voltage data
-            # print(f"x({x.shape}, {x.dtype})=...")
-            # print(f"y({y.shape}, {y.dtype})=...")
-            # length = torch.tensor([x.shape[1] for _ in range(x.shape[0])], dtype=torch.int64)
-            # print(f"length({length.shape})={length}")
-            # batch_size = x.shape[0]
-            # print(f"batch_size={batch_size}")
-            # v = x.view(batch_size, -1, feature_count)
-            # data = rnn_utils.pack_padded_sequence(v.type(torch.FloatTensor), length, batch_first=True).to(device)[0]
-            # print(f"data({data.shape})={data}")
-            # print(data.batch_sizes[0])
-            # print(data)
-            out = model(x)
-            # print(f"out({out.shape}={out})")
-            loss = loss_func(out, y)
-            # print(loss)
-
-            optimizer.zero_grad()   # clear gradients for next train
-            loss.backward()         # backpropagation, compute gradients
-            optimizer.step()        # apply gradients
-
-            # predicted = torch.max(torch.nn.functional.softmax(out), 1)[1]
-            predicted = torch.argmax(out, dim=1, keepdim=False)  # -> [ label_indices ]
-            correct = torch.argmax(y, dim=1, keepdim=False)  # -> [ label_indices ]
-            # print(f"predicted={predicted}, correct={correct}")
-            # train_total += y.size(0)
-            # train_correct += (predicted == correct).sum().item()
-            epoch_tracker.train(correct, predicted)
-        epoch_tracker.next_epoch(loss)
-        print(epoch_tracker.get_last_epoch_summary_str())
-        scheduler.step()
+                train_loader = DataLoader(train_set, batch_size=st.batch_size, shuffle=True, generator=generator)
+                test_loader = DataLoader(test_set, batch_size=st.batch_size, shuffle=True, generator=generator)
+                print(f"Testing {n}/{n_total}: (o={o}, s={s}, i={i})")
+                model, optimizer, scheduler = create_model(st, optimizers[o], schedulers[s])
+                device = select_device(force_device="cpu")
+                try:
+                    train_validate_save(model, optimizer, scheduler, loss_func, train_loader, test_loader, st, models_dir, print_interval=4)
+                except KeyboardInterrupt:
+                    if input("Cancelled current training. Quit? (q/*): ") == "q":
                         t_end = time.time()
+                        print(f"Testing took {t_end - t_begin:.2f}s = {(t_end-t_begin)/60:.1f}m")
+                        exit()
+                n += 1
 
-    with torch.no_grad():
-        for i, (data, y) in enumerate(test_loader):
-            # print(ep, "Test")
-            x = data[:,:,[2]].float()
-            out = model(x)
-            loss = loss_func(out, y)
-
-            predicted = torch.argmax(out, dim=1, keepdim=False)  # -> [ label_indices ]
-            correct = torch.argmax(y, dim=1, keepdim=False)  # -> [ label_indices ]
-            # print(f"predicted={predicted}, correct={correct}")
-            # val_total += y.size(0)
-            # val_correct += (predicted == correct).sum().item()
-
-            epoch_tracker.test(correct, predicted)
-
-        # print(f"train_total={train_total}, val_total={val_total}")
-        # if train_total == 0: train_total = -1
-        # if val_total == 0: val_total = -1
-
-        # print(f"epoch={ep+1:3}: Testing accuracy={100 * val_correct / val_total:.2f}")
-    # print(f"End result: Training accuracy={100 * train_correct / train_total:.2f}%, Testing accuracy={100 * val_correct / val_total:.2f}, training took {t_end - t_begin:.2f} seconds")
-
-    epoch_tracker.get_test_statistics()
-    # epoch_tracker.()
-
-    # print(epoch_tracker.get_training_summary_str())
-    print(epoch_tracker.get_training_count_per_label())
-
-    model_name = st.get_name()
-    # save the settings, results and model
-    with open(model_name + "_settings.pkl", "wb") as file:
-        pickle.dump(st, file)
-
-    with open(model_name + "_results.pkl", "wb") as file:
-        pickle.dump(epoch_tracker, file)
-
-    with open(model_name + "_model.pkl", "wb") as file:
-        pickle.dump(model, file)
+    t_end = time.time()
+    print(f"Testing took {t_end - t_begin:.2f}s = {(t_end-t_begin)/60:.1f}m")
 

teng-ml/peaks.py

@@ -17,6 +17,7 @@ if __name__ == "__main__":
         sys.path.insert(0, path.dirname(path.dirname(filepath)))
 
 from .util.transform import Normalize
+from .util.data_loader import get_datafiles
 
 file = "/home/matth/data/2023-04-25_kapton_8.2V_179mm002.csv"
 

teng-ml/rnn.py

@@ -1,39 +0,0 @@
-import torch
-import torch.nn as nn
-
-# BiLSTM Model
-
-class RNN(nn.Module):
-  def __init__(self, input_size, hidden_size, num_layers, num_classes, if_bidirectional):
-    super(RNN, self).__init__()
-    self.num_layers = num_layers
-    self.hidden_size = hidden_size
-    self.if_bidirectional = if_bidirectional
-    self.lstm = nn.LSTM(input_size, hidden_size, num_layers, batch_first=True, bidirectional=if_bidirectional)
-
-    if if_bidirectional == True:
-      self.fc = nn.Linear(hidden_size * 2, num_classes)
-    else:
-      self.fc = nn.Linear(hidden_size, num_classes)
-
-
-  def forward(self, x):
-    D = 2 if self.if_bidirectional == True else 1
-    Batch = x.batch_sizes[0]
-
-    h0 = torch.zeros(D * self.num_layers, Batch, self.hidden_size).to(device)
-    c0 = torch.zeros(D * self.num_layers, Batch, self.hidden_size).to(device)
-    x.to(device)
-    _, (h_n, _) = self.lstm(x, (h0, c0))
-    final_state  = h_n.view(self.num_layers, D, Batch, self.hidden_size)[-1]     # num_layers, num_directions, batch, hidden_size
-
-    if D == 1:
-      X = final_state.squeeze()
-    elif D == 2:
-      h_1, h_2 = final_state[0], final_state[1]  # forward & backward pass
-      # X = h_1 + h_2                # Add both states
-      X = torch.cat((h_1, h_2), 1)         # Concatenate both states, X-size: (Batch, hidden_size * 2）
-
-    output = self.fc(X) # fully-connected layer
-
-    return output

teng-ml/rnn/rnn.py

@@ -0,0 +1,80 @@
+import torch
+import torch.nn as nn
+
+class RNN(nn.Module):
+    """
+    (Bi)LSTM for name classification
+    """
+    def __init__(self, input_size, hidden_size, num_layers, num_classes, bidirectional):
+        super(RNN, self).__init__()
+        self.num_layers = num_layers
+        self.hidden_size = hidden_size
+        self.is_bidirectional = bidirectional
+        self.lstm = nn.LSTM(input_size=input_size, hidden_size=hidden_size, num_layers=num_layers, batch_first=True, bidirectional=bidirectional)
+        # x = (batch_size, sequence, feature)
+
+        if bidirectional == True:
+          self.fc = nn.Linear(hidden_size * 2, num_classes)
+        else:
+          self.fc = nn.Linear(hidden_size, num_classes)
+
+        self.softmax = nn.Softmax(dim=1)
+
+    def forward(self, x):
+        # x: batches, length, features
+        # print(f"forward pass")
+        D = 2 if self.is_bidirectional == True else 1
+        # print(f"x({x.shape})=...")
+        batch_size = x.shape[0]
+
+        device = x.device
+
+        h0 = torch.zeros(D * self.num_layers, batch_size, self.hidden_size).to(device)
+        # print(f"h1({h0.shape})=...")
+        c0 = torch.zeros(D * self.num_layers, batch_size, self.hidden_size).to(device)
+
+        out, (h_n, c_n) = self.lstm(x, (h0, c0))
+        # out: (N, L, D * hidden_size)
+        # h_n: (D * num_layers, hidden_size)
+        # c_n: (D * num_layers, hidden_size)
+        # print(f"out({out.shape})={out}")
+        # print(f"h_n({h_n.shape})={h_n}")
+        # print(f"c_n({c_n.shape})={c_n}")
+        # print(f"out({out.shape})=...")
+        # print(f"h_n({h_n.shape})=...")
+        # print(f"c_n({c_n.shape})=...")
+
+        """
+        # select only last layer [-1] -> last layer,
+        last_layer_state  = h_n.view(self.num_layers, D, batch_size, self.hidden_size)[-1]
+        if D == 1:
+            # [1, batch_size, hidden_size] -> [batch_size, hidden_size]
+            X = last_layer_state.squeeze()           # TODO what if batch_size == 1
+        elif D == 2:
+            h_1, h_2 = last_layer_state[0], last_layer_state[1]   # states of both directions
+            # concatenate both states, X-size: (Batch, hidden_size * 2）
+            X = torch.cat((h_1, h_2), dim=1)
+        else:
+            raise ValueError("D must be 1 or 2")
+        """  # all this is quivalent to line below
+        out = out[:,-1,:]  # select last time step
+
+        # fc: (*, hidden_size) -> (*, num_classes)
+        # print(f"X({X.shape})={X}")
+        # print(f"X({X.shape})=...")
+        out = self.fc(out) # fully-connected layer
+        # print(f"out({output.shape})={output}")
+        # print(f"output({output.shape})=...")
+        # softmax: (*) -> (*)
+        # out = self.softmax(out)
+        # print(f"output({output.shape})=...")
+        # print(f"output({output.shape})={output}")
+
+        """
+        out(torch.Size([15, 200, 10]))=...
+        h_n(torch.Size([3, 15, 10]))=...
+        c_n(torch.Size([3, 15, 10]))=...
+        X(torch.Size([3, 1, 15, 10]))=...
+        output(torch.Size([3, 1, 15, 6]))=...
+        output(torch.Size([3, 1, 15, 6]))=..."""
+        return out

teng-ml/rnn/training.py

@@ -0,0 +1,150 @@
+from os import makedirs, path
+import torch
+import pickle
+import matplotlib.pyplot as plt
+from torch.utils.data import DataLoader
+
+from ..util.settings import MLSettings
+from ..tracker.epoch_tracker import EpochTracker
+from ..util.file_io import get_next_digits
+from ..util.string import class_str
+
+from ..util import model_io as mio
+
+
+def select_device(force_device=None):
+    """
+    Select best device and move model
+    """
+    if force_device is not None:
+        device = force_device
+    else:
+        device = torch.device(
+            "cuda"
+            if torch.cuda.is_available()
+            # else "mps"
+            # if torch.backends.mps.is_available()
+            else "cpu"
+        )
+    # print(device, torch.cuda.get_device_name(device), torch.cuda.get_device_properties(device))
+    return device
+
+
+def train(model, optimizer, scheduler, loss_func, train_loader: DataLoader, st: MLSettings, print_interval=1) -> EpochTracker:
+    epoch_tracker = EpochTracker(st.labels)
+    epoch_tracker.begin()
+    for ep in range(st.num_epochs):
+        loss = -1
+        for i, (data, y) in enumerate(train_loader):
+            # print(data, y)
+            # data = batch, seq, features
+            # print(f"data({data.shape})={data}")
+            x = data[:,:,[2]].float()   # select voltage data
+            # print(f"x({x.shape}, {x.dtype})=...")
+            # print(f"y({y.shape}, {y.dtype})=...")
+            # length = torch.tensor([x.shape[1] for _ in range(x.shape[0])], dtype=torch.int64)
+            # print(f"length({length.shape})={length}")
+            # batch_size = x.shape[0]
+            # print(f"batch_size={batch_size}")
+            # v = x.view(batch_size, -1, feature_count)
+            # data = rnn_utils.pack_padded_sequence(v.type(torch.FloatTensor), length, batch_first=True).to(device)[0]
+            # print(f"data({data.shape})={data}")
+            out = model(x)
+
+            # print(f"out({out.shape}={out})")
+            # print(f"  y({y.shape}={y})")
+            with torch.no_grad():
+                predicted = torch.argmax(out, dim=1, keepdim=False)  # -> [ label_indices ]
+                correct = torch.argmax(y, dim=1, keepdim=False)  # -> [ label_indices ]
+                # print(f"predicted={predicted}, correct={correct}")
+                # train_total += y.size(0)
+                # train_correct += (predicted == correct).sum().item()
+                epoch_tracker.add_prediction(correct, predicted)
+                # predicted2 = torch.argmax(out, dim=1, keepdim=True)  # -> [ label_indices ]
+                # print(f"correct={correct}, y={y}")
+            loss = loss_func(out, correct)
+            # loss = loss_func(out, y)
+
+
+            optimizer.zero_grad()   # clear gradients for next train
+            loss.backward()         # backpropagation, compute gradients
+            optimizer.step()        # apply gradients
+
+            # predicted = torch.max(torch.nn.functional.softmax(out), 1)[1]
+        epoch_tracker.end_epoch(loss, optimizer.param_groups[0]["lr"])
+        if ep+1 % print_interval == 0:
+            print(f"Training:", epoch_tracker.get_epoch_summary_str())
+        scheduler.step()
+    print("Training:", epoch_tracker.end())
+    return epoch_tracker
+
+
+def validate(model, test_loader: DataLoader, st: MLSettings) -> EpochTracker:
+    epoch_tracker = EpochTracker(st.labels)
+    epoch_tracker.begin()
+    with torch.no_grad():
+        for i, (data, y) in enumerate(test_loader):
+            # print(ep, "Test")
+            x = data[:,:,[2]].float()
+            out = model(x)
+
+            predicted = torch.argmax(out, dim=1, keepdim=False)  # -> [ label_indices ]
+            correct = torch.argmax(y, dim=1, keepdim=False)  # -> [ label_indices ]
+
+            epoch_tracker.add_prediction(correct, predicted)
+    print("Validation:", epoch_tracker.end())
+    return epoch_tracker
+
+
+def train_validate_save(model, optimizer, scheduler, loss_func, train_loader: DataLoader, test_loader: DataLoader, st: MLSettings, models_dir, print_interval=1, show_plots=False):
+    # assumes model and data is already on correct device
+    # train_loader.to(device)
+    # test_loader.to(device)
+
+    # store optimizer, scheduler and loss_func in settings
+    st.optimizer = class_str(optimizer)
+    st.scheduler = class_str(scheduler)
+    st.loss_func = class_str(loss_func)
+
+    model_name = st.get_name()
+
+    def add_tab(s):
+        return "\t" + str(s).replace("\n", "\n\t")
+    print(100 * '=')
+    print("Model Name:", model_name)
+    print(f"model:\n", add_tab(model))
+    # print(f"loss_func:\n", add_tab(class_str(loss_func)))
+    # print(f"optimizer:\n", add_tab(class_str(optimizer)))
+    # print(f"scheduler:\n", add_tab(class_str(scheduler)))
+
+
+    print(100 * '-')
+    training_tracker = train(model, optimizer, scheduler, loss_func, train_loader, st, print_interval=print_interval)
+    # print("Training: Count per label:", training_tracker.get_count_per_label())
+    # print("Training: Predictions per label:", training_tracker.get_predictions_per_label())
+
+    print(100 * '-')
+    validation_tracker = validate(model, test_loader, st)
+    # print("Validation: Count per label:", validation_tracker.get_count_per_label())
+    # print("Validation: Predictions per label:", validation_tracker.get_predictions_per_label())
+
+
+    digits = get_next_digits(f"{model_name}_", models_dir)
+    model_dir = f"{models_dir}/{model_name}_{digits}"
+    # do not put earlier, since the dir should not be created if training is interrupted
+    if not path.isdir(model_dir):  # should always run, if not the digits function did not work
+        makedirs(model_dir)
+
+    fig, _ = validation_tracker.plot_predictions("Validation: Predictions", model_dir=model_dir, name="img_validation_predictions")
+    fig, _ = training_tracker.plot_predictions("Training: Predictions", model_dir=model_dir, name="img_training_predictions")
+    fig, _ = training_tracker.plot_training(model_dir=model_dir)
+
+    if show_plots:
+        plt.show()
+    plt.close('all')
+
+    # save the settings, results and model
+    mio.save_settings(model_dir, st)
+    mio.save_tracker_validation(model_dir, validation_tracker)
+    mio.save_tracker_training(model_dir, training_tracker)
+    mio.save_model(model_dir, model)

teng-ml/tracker/epoch_tracker.py

@@ -0,0 +1,187 @@
+from ..util.data_loader import LabelConverter
+import matplotlib.pyplot as plt
+import time
+import torch
+import numpy as np
+
+class EpochTracker:
+    """
+    Track accuracy, loss, learning_rate etc. during model training
+    Can also be used for validation (which will probably be only one epoch)
+    """
+    def __init__(self, labels: LabelConverter):
+        self.labels = labels
+
+        self.times: list[float] = []            # (epoch)
+        self.predictions = [[]]  # (epoch, batch_nr, (correct_indices | predicted_indices), ind:ex_nr)
+        self.loss: list[float] = []             # (epoch)
+        self.learning_rate: list[float] = []    # (epoch)
+        self.epochs: list[int] = []             # 1 based for FINISHED epochs
+        self._current_epoch = 0    # 0 based
+
+        # after training
+        self.accuracies: list[float] = []       # (epoch)
+
+    def begin(self):
+        self.times.append(time.time())
+
+    def end(self):
+        self.times.append(time.time())
+        # if end_epoch was called before end:
+        if len(self.predictions[-1]) == 0:
+            self.predictions.pop()
+            self._current_epoch -= 1
+        else:  # if end_epoch was not called
+            self.epochs.append(len(self.epochs) + 1)
+            self._calculate_accuracies(self._current_epoch)
+
+
+        s = f"Summary: After {self.epochs[-1]} epochs: "
+        s += f"Accuracy={self.accuracies[-1]:.2f}%"
+        s += f", Total time={self.get_total_time():.2f}s"
+        return s
+
+
+
+    def get_total_time(self):
+        if len(self.times) > 1: return self.times[-1] - self.times[0]
+        else: return -1
+
+    #
+    # EPOCH
+    #
+    def end_epoch(self, loss, learning_rate):
+        """
+        loss and learning_rate of last epoch
+        call before scheduler.step()
+        """
+        self.times.append(time.time())
+        self.epochs.append(len(self.epochs) + 1)
+        if type(loss) == torch.Tensor: self.loss.append(loss.item())
+        else: self.loss.append(loss)
+        self.learning_rate.append(learning_rate)
+        self._calculate_accuracies(self._current_epoch)
+
+        self._current_epoch += 1
+        self.predictions.append([])
+
+    def get_epoch_summary_str(self, ep=-1):
+        """call after next_epoch()"""
+        m = max(ep, 0)  # if ep == -1, check if len is > 0
+        assert(len(self.epochs) > m)
+        s = f"Epoch {self.epochs[ep]:3}"
+        if len(self.accuracies) > m:s += f", Accuracy={self.accuracies[ep]:.2f}%"
+        if len(self.loss) > m:      s += f", Loss={self.loss[ep]:.3f}"
+        if len(self.loss) > m:      s += f", lr={self.learning_rate[ep]:.4f}"
+        if len(self.times) > m+1:   s += f", dt={self.times[ep] - self.times[ep-1]:.2f}s"
+        return s
+
+    def add_prediction(self, correct_indices: torch.Tensor, predicted_indices: torch.Tensor):
+        """for accuracy calculation"""
+        self.predictions[self._current_epoch].append((correct_indices.detach().numpy(), predicted_indices.detach().numpy()))
+
+    #
+    # STATISTICS
+    #
+    def get_count_per_label(self, epoch=-1):
+        """
+        the number of times where <label> was the correct label, per label
+        @returns shape: (label)
+        """
+        count_per_label = [ 0 for _ in range(len(self.labels)) ]
+        for corr, _ in self.predictions[epoch]:
+            for batch in range(len(corr)):
+                count_per_label[corr[batch]] += 1
+        return count_per_label
+
+    def get_predictions_per_label(self, epoch=-1):
+        """
+        How often label_i was predicted, when label_j was the correct label
+        @returns shape: (label_j, label_i)
+        """
+        statistics = [ [ 0 for _ in range(len(self.labels)) ] for _ in range(len(self.labels)) ]
+        for corr, pred in self.predictions[epoch]:
+            for batch in range(len(corr)):
+                statistics[corr[batch]][pred[batch]] += 1
+        return statistics
+
+    def plot_training(self, title="Training Summary", model_dir=None, name="img_training"):
+        """
+        @param model_dir: Optional. If given, save to model_dir as svg
+        """
+        fig, ax = plt.subplots(nrows=3, ncols=1, sharex=True, layout="tight")
+
+        ax[0].plot(self.epochs, self.accuracies, color="red")
+        ax[0].set_ylabel("Accuracy")
+
+        ax[1].plot(self.epochs, self.learning_rate, color="green")
+        ax[1].set_ylabel("Learning Rate")
+
+        ax[2].plot(self.epochs, self.loss, color="blue")
+        ax[2].set_ylabel("Loss")
+
+        fig.suptitle(title)
+        ax[2].set_xlabel("Epoch")
+        plt.tight_layout()
+        if model_dir is not None:
+            fig.savefig(f"{model_dir}/{name}.svg")
+
+        return fig, ax
+
+    def plot_predictions(self, title="Predictions per Label", ep=-1, model_dir=None, name="img_training_predictions"):
+        """
+        @param model_dir: Optional. If given, save to model_dir as svg
+        @param ep: Epoch, defaults to last
+        """
+        # Normalize the data
+        predictions_per_label = self.get_predictions_per_label(ep)
+        normalized_predictions = predictions_per_label / np.sum(predictions_per_label, axis=1, keepdims=True)
+
+        N = len(self.labels)
+        label_names = self.labels.get_labels()
+
+        fig, ax = plt.subplots(layout="tight")
+
+        im = ax.imshow(normalized_predictions, cmap='Blues')  # cmap='BuPu'
+        ax.set_xticks(np.arange(N))
+        ax.set_yticks(np.arange(N))
+        ax.set_xticklabels(label_names)
+        ax.set_yticklabels(label_names)
+        ax.set_xlabel('Predicted Label')
+        ax.set_ylabel('Correct Label')
+
+        # horizontal lines between labels to better show that the sum of a row is 1
+        for i in range(1, N):
+            ax.axhline(i-0.5, color='black', linewidth=1)
+
+        # rotate the x-axis labels for better readability
+        plt.setp(ax.get_xticklabels(), rotation=45, ha="right", rotation_mode="anchor")
+
+        # create annotations
+        for i in range(N):
+            for j in range(N):
+                text = ax.text(j, i, round(normalized_predictions[i, j], 2),
+                               ha="center", va="center", color="black")
+
+        # add colorbar
+        cbar = ax.figure.colorbar(im, ax=ax)
+
+        ax.set_title(title)
+        plt.tight_layout()
+        if model_dir is not None:
+            fig.savefig(f"{model_dir}/{name}.svg")
+        return fig, ax
+
+    #
+    # CALCULATION
+    #
+    def _calculate_accuracies(self, ep):
+        correct_predictions = 0
+        total_predictions = 0
+        for correct_indices, predicted_indices in self.predictions[ep]:
+            correct_predictions += (predicted_indices == correct_indices).sum().item()
+            total_predictions += len(predicted_indices)
+        accuracy = correct_predictions / total_predictions * 100
+        while len(self.accuracies) <= ep:
+            self.accuracies.append(-1)
+        self.accuracies[ep] = accuracy

teng-ml/util/data_loader.py

@@ -3,6 +3,9 @@ from os import path, listdir
 import re
 import numpy as np
 import pandas as pd
+from scipy.sparse import data
+
+import threading
 
 from sklearn.model_selection import train_test_split
 
@@ -10,7 +13,7 @@ from sklearn.model_selection import train_test_split
 re_filename = r"(\d{4}-\d{2}-\d{2})_([a-zA-Z_]+)_(\d{1,2}(?:\.\d*)?)V_(\d+(?:\.\d*)?)mm(\d+).csv"
 
 class LabelConverter:
-    def __init__(self, class_labels):
+    def __init__(self, class_labels: list[str]):
         self.class_labels = class_labels.copy()
         self.class_labels.sort()
 
@@ -32,10 +35,12 @@ class LabelConverter:
     def get_labels(self):
         return self.class_labels.copy()
 
+    def __repr__(self):
+        return str(self.class_labels)
 
 
 class Datasample:
-    def __init__(self, date: str, label: str, voltage: str, distance: str, index: str, label_vec, datapath: str):
+    def __init__(self, date: str, label: str, voltage: str, distance: str, index: str, label_vec, datapath: str, init_data=False):
         self.date = date
         self.label = label
         self.voltage = float(voltage)
@@ -44,50 +49,62 @@ class Datasample:
         self.label_vec = label_vec
         self.datapath = datapath
         self.data = None
+        if init_data: self._load_data()
 
     def __repr__(self):
         size = self.data.size if self.data is not None else "Unknown"
         return f"{self.label}-{self.index}: dimension={size}, recorded at {self.date} with U={self.voltage}V, d={self.distance}mm"
 
     def _load_data(self):
-        df = pd.read_csv(self.datapath)
-        self.data = df.to_numpy(dtype=np.float32)
+        # df = pd.read_csv(self.datapath)
+        self.data = np.loadtxt(self.datapath, skiprows=1, dtype=np.float32, delimiter=",")
 
     def get_data(self):
-        """[[timestamps, idata, vdata]]"""
+        """[[timestamp, idata, vdata]]"""
         if self.data is None:
             self._load_data()
         return self.data
 
+
 class Dataset:
     """
     Store the whole dataset, compatible with torch.data.Dataloader
     """
-    def __init__(self, datasamples, transforms=None):
-        self.datasamples = datasamples
+    def __init__(self, datasamples, transforms=[], split_function=None):
+        """
+        @param transforms: single callable or list of callables that are applied to the data (before eventual split)
+        @param split_function: (data) -> [data0, data1...] callable that splits the data
+        """
         self.transforms = transforms
-        # self.labels = [ d.label_vec for d in datasamples ]
-        # self.data = [ d.get_data() for d in datasamples ]
+        self.data = []  # (data, label)
+        for sample in datasamples:
+            data = self.apply_transforms(sample.get_data())
+            if split_function is None:
+                self.data.append((data, sample.label_vec))
+            else:
+                for data_split in split_function(data):
+                    self.data.append((data_split, sample.label_vec))
 
-    def __getitem__(self, index):
-        data, label = self.datasamples[index].get_data(), self.datasamples[index].label_vec
-        # print(f"loading dataset {self.datasamples[index]}")
+    def apply_transforms(self, data):
         if type(self.transforms) == list:
             for t in self.transforms:
                 data = t(data)
-        elif self.transforms:
+        elif self.transforms is not None:
             data = self.transforms(data)
-        # TODO
-        return data[:2000], label
+        return data
+
+    def __getitem__(self, index):
+        return self.data[index]
 
     def __len__(self):
-        return len(self.datasamples)
+        return len(self.data)
 
-def load_datasets(datadir, labels: LabelConverter, transforms=None, voltage=None, train_to_test_ratio=0.7, random_state=None):
+
+def get_datafiles(datadir, labels: LabelConverter, voltage=None):
     """
-    load all data from datadir that are in the format: yyyy-mm-dd_label_x.xV_xxxmm.csv
+    get a list of all matching datafiles from datadir that are in the format: yyyy-mm-dd_label_x.xV_xxxmm.csv
     """
-    datasamples = []
+    datafiles = []
     files = listdir(datadir)
     files.sort()
     for file in files:
@@ -99,9 +116,38 @@ def load_datasets(datadir, labels: LabelConverter, transforms=None, voltage=None
 
         sample_voltage = float(match.groups()[2])
         if voltage and voltage != sample_voltage: continue
+        datafiles.append((datadir + "/" + file, match, label))
+    return datafiles
 
-        datasamples.append(Datasample(*match.groups(), labels.get_one_hot(label), datadir + "/" + file))
+
+def load_datasets(datadir, labels: LabelConverter, transforms=None, split_function=None, voltage=None, train_to_test_ratio=0.7, random_state=None, num_workers=None):
+    """
+    load all data from datadir that are in the format: yyyy-mm-dd_label_x.xV_xxxmm.csv
+    """
+    datasamples = []
+    if num_workers == None:
+        for file, match, label in get_datafiles(datadir, labels, voltage):
+            datasamples.append(Datasample(*match.groups(), labels.get_one_hot(label), file))
+    else:
+        files = get_datafiles(datadir, labels, voltage)
+        def worker():
+            while True:
+                try:
+                    file, match, label = files.pop()
+                except IndexError:
+                    # No more files to process
+                    return
+                datasamples.append(Datasample(*match.groups(), labels.get_one_hot(label), file, init_data=True))
+        threads = [threading.Thread(target=worker) for _ in range(num_workers)]
+        for t in threads:
+            t.start()
+        for t in threads:
+            t.join()
+
+
+    # TODO do the train_test_split after the Dataset split
+    # problem: needs to be after transforms
     train_samples, test_samples = train_test_split(datasamples, train_size=train_to_test_ratio, shuffle=True, random_state=random_state)
-    train_dataset = Dataset(train_samples, transforms=transforms)
-    test_dataset = Dataset(test_samples, transforms=transforms)
+    train_dataset = Dataset(train_samples, transforms=transforms, split_function=split_function)
+    test_dataset = Dataset(test_samples, transforms=transforms, split_function=split_function)
     return train_dataset, test_dataset

teng-ml/util/epoch_tracker.py

@@ -1,83 +0,0 @@
-from ..util.data_loader import LabelConverter
-import time
-import torch
-
-class EpochTracker:
-    """
-    Track progress through epochs and generate statistics
-    """
-    def __init__(self, labels: LabelConverter):
-        # Training
-        self.accuracy = []
-        self.loss = []
-        self.times = []  # timestamps for each epoch end
-        self.trainings = []
-        self.training_indices = [[]]  # epoch, batch_nr, (correct_indices, predicted_indices), ind:ex_nr
-        self._current_epoch = 0
-
-        self.labels = labels
-
-        # Testing
-        self.tests = []  # (correct_indices, predicted_indices)
-
-    def train_begin(self):
-        """for time tracking"""
-        self.times.append(time.time())
-
-    # TRAINING
-    def train(self, correct_indices: torch.Tensor, predicted_indices: torch.Tensor):
-        self.training_indices[self._current_epoch].append((correct_indices, predicted_indices))
-
-    def next_epoch(self, loss):
-        self.times.append(time.time())
-        self.loss.append(loss)
-        correct_predictions = 0
-        total_predictions = 0
-        for predicted_indices, correct_indices in self.training_indices[self._current_epoch]:
-            correct_predictions += (predicted_indices == correct_indices).sum().item()
-            total_predictions += predicted_indices.size(0)
-        accuracy = 100 * correct_predictions / total_predictions
-        self.accuracy.append(accuracy)
-        self._current_epoch += 1
-        self.training_indices.append([])
-
-    def get_last_epoch_summary_str(self):
-        """call after next_epoch()"""
-        return f"Epoch {self._current_epoch:3}: Accuracy={self.accuracy[-1]:.2f}, Loss={self.loss[-1]:.3f}, Training duration={self.times[-1] - self.times[0]:.2f}s"
-    def get_last_epoch_summary(self):
-        """
-        @returns accuracy, loss, training time
-        """
-        return self.accuracy[-1], self.loss[-1], self.times[-1] - self.times[0]
-
-    def get_training_count_per_label(self):
-        count_per_label = [ 0 for _ in range(len(self.labels)) ]
-        for i in range(len(self.training_indices)):
-            for j in range(len(self.training_indices[i])):
-                for k in range(self.training_indices[i][j][0].size(0)):
-                    # epoch, batch_nr, 0 = correct_indices, correct_index_nr
-                    count_per_label[self.training_indices[i][j][0][k]] += 1
-        return count_per_label
-
-    def __len__(self):
-        return len(self.accuracy)
-
-    def __getitem__(self, idx):
-        return (self.accuracy[idx], self.loss[idx])
-
-    # TESTING
-    def test(self, correct_indices: torch.Tensor, predicted_indices: torch.Tensor):
-        """
-        @param correct_indices and predicted_indices: 1 dim Tensor
-        """
-        for i in range(correct_indices.size(0)):
-            self.tests.append((correct_indices[i], predicted_indices[i]))
-
-
-    def get_test_statistics(self):
-        # label i, label_j was predicted when label_i was correct 
-        statistics = [ [ 0 for _ in range(len(self.labels))] for _ in range(len(self.labels)) ]
-        for corr, pred in self.tests:
-            statistics[corr][pred] += 1
-        print(statistics)
-        return statistics

teng-ml/util/file_io.py

@@ -0,0 +1,34 @@
+from os import listdir, path
+
+def add_zeros(v: int, digits=3):
+    """
+    return v as string, add leading zeros if len(str(v)) < digits
+    """
+    s = str(v)
+    return '0' * (max(digits - len(s), 0)) + s
+
+
+def get_next_digits(basename, directory=".", digits=3):
+    """
+    get the next filename digits
+    example:
+        basename = file
+        directory has file001.csv, file002.pkl, file004.csv
+        -> return 005
+    """
+    files = listdir(directory)
+    files.sort()
+    files.reverse()
+    lowest_number = -1
+    for file in files:
+        if not file.startswith(basename): continue
+        try:
+            dot = file.rfind('.')
+            if dot > 0: file = file[:dot]
+            number = int(file.replace(basename, ""))
+            if number < lowest_number: continue
+            lowest_number = number
+        except ValueError:
+            continue
+
+    return add_zeros(lowest_number+1)

teng-ml/util/model_io.py

@@ -0,0 +1,45 @@
+from ..tracker.epoch_tracker import EpochTracker
+from ..util.settings import MLSettings
+import pickle
+
+
+"""
+Load and save model, settings and EpochTrackers from/on disk
+"""
+
+def load_tracker_validation(model_dir):
+    with open(f"{model_dir}/tracker_validation.pkl", "rb") as file:
+        validation_tracker: EpochTracker = pickle.load(file)
+    return validation_tracker
+
+def load_tracker_training(model_dir):
+    with open(f"{model_dir}/tracker_training.pkl", "rb") as file:
+        training_tracker: EpochTracker = pickle.load(file)
+    return training_tracker
+
+def load_settings(model_dir):
+    with open(f"{model_dir}/settings.pkl", "rb") as file:
+        st: MLSettings = pickle.load(file)
+    return st
+
+def load_model(model_dir):
+    with open(f"{model_dir}/model.pkl", "rb") as file:
+        model = pickle.load(file)
+    return model
+
+
+def save_tracker_validation(model_dir, validation_tracker: EpochTracker):
+    with open(f"{model_dir}/tracker_validation.pkl", "wb") as file:
+        pickle.dump(validation_tracker, file)
+
+def save_tracker_training(model_dir, training_tracker: EpochTracker):
+    with open(f"{model_dir}/tracker_training.pkl", "wb") as file:
+        pickle.dump(training_tracker, file)
+
+def save_settings(model_dir, st):
+    with open(f"{model_dir}/settings.pkl", "wb") as file:
+        pickle.dump(st, file)
+
+def save_model(model_dir, model):
+    with open(f"{model_dir}/model.pkl", "wb") as file:
+        pickle.dump(model, file)

teng-ml/util/settings.py

@@ -1,4 +1,5 @@
 from ..util.data_loader import LabelConverter
+from ..util.split import DataSplitter
 
 class MLSettings:
     """
@@ -9,7 +10,11 @@ class MLSettings:
                  num_layers=1,
                  hidden_size=1,
                  bidirectional=True,
+                 optimizer=None,
+                 scheduler=None,
+                 loss_func=None,
                  transforms=[],
+                 splitter=None,
                  num_epochs=10,
                  batch_size=5,
                  labels=LabelConverter([]),
@@ -19,7 +24,11 @@ class MLSettings:
         self.hidden_size = hidden_size
         self.num_epochs = num_epochs
         self.bidirectional = bidirectional
+        self.optimizer = optimizer
+        self.scheduler = scheduler
+        self.loss_func = loss_func
         self.transforms = transforms
+        self.splitter = splitter
         self.batch_size = batch_size
         self.labels = labels
 
@@ -30,6 +39,7 @@ class MLSettings:
         H = hidden_size
         B = bidirectional
         T = #transforms
+        S = splitter
         E = #epochs
         """
-        return f"F{self.num_features}L{self.num_layers}H{self.hidden_size}B{'1' if self.bidirectional else '0'}T{len(self.transforms)}"
+        return f"F{self.num_features}L{self.num_layers}H{self.hidden_size:02}B{'1' if self.bidirectional else '0'}T{len(self.transforms)}S{self.splitter.split_size if type(self.splitter) == DataSplitter is not None else 0:03}E{self.num_epochs:03}"

teng-ml/util/split.py

@@ -0,0 +1,23 @@
+import numpy as np
+
+class DataSplitter:
+    r"""
+    Split a numpy array into smaller arrays of size datapoints_per_split
+    If data.shape(0) % datapoints_per_split != 0, the remaining datapoints are dropped
+    """
+    def __init__(self, datapoints_per_split):
+        self.split_size = datapoints_per_split
+
+    def __call__(self, data: np.ndarray):
+        """
+        data: [[t, i, v]]
+        """
+        ret_data = []
+        for i in range(self.split_size, data.shape[0], self.split_size):
+            ret_data.append(data[i-self.split_size:i, :])
+        if len(ret_data) == 0:
+            raise ValueError(f"data has only {data.shape[0]}, but datapoints_per_split is set to {self.split_size}")
+        return ret_data
+
+    def __repr__(self):
+        return f"DataSplitter({self.split_size})"

teng-ml/util/string.py

@@ -0,0 +1,51 @@
+import inspect
+import torch.optim.lr_scheduler as sd
+import re
+
+def fill_and_center(s: str, fill_char="=", length=100):
+    rs = fill_char * length
+    margin = (length - len(s)) // 2
+    if margin > 1:
+        rs = f"{fill_char*(margin-1)} {s} {fill_char*(margin-1)}"
+        if len(rs) == 99: rs = rs + "="
+        assert(len(rs) == 100)
+        return rs
+    else:
+        return s
+
+def class_str(x):
+    """
+    Return the constructor of the class of x with arguemnts
+    """
+    name = type(x).__name__
+    signature = inspect.signature(type(x))
+    params = []
+    for param_name, param_value in x.__dict__.items():
+        if param_name not in signature.parameters:
+            continue
+        default_value = signature.parameters[param_name].default
+        if param_value != default_value:
+            params.append(f"{param_name}={param_value!r}")
+    if params:
+        return f"{name}({', '.join(params)})"
+    else:
+        return name
+
+
+def cleanup_str(s):
+    """
+    convert to string if necessary and
+    if scheduler string:
+        remove unnecessary parameters
+    """
+    if not type(s) == str:
+        s = str(s)
+    # check if scheduler string
+    re_scheduler = r"(\w+)\((.*)(optimizer=[A-Za-z]+) \(.*(initial_lr: [\d.]+).*?\)(.*)\)"
+    # groups: (sched_name, sched_params1, optimizer=Name, initial_lr: digits, sched_params2)
+    match = re.fullmatch(re_scheduler, s.replace("\n", " "))
+    if match:
+        g = match.groups()
+        s = f"{g[0]}({g[1]}{g[2]}({g[3]}, ...){g[4]})"
+        return s
+    return s

teng-ml/util/transform.py

@@ -54,4 +54,3 @@ class ConstantInterval:
 
     def __repr__(self):
         return f"ConstantInterval(interval={self.interval})"
-