Spaces:
Sleeping
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devjas1
commited on
Commit
Β·
5076875
1
Parent(s):
9d0759c
(FEAT): Enhance application with streamlined analysis and confidence visualization
Browse files- Add streamlined "Details" tab with a research-grade layout for analysis results.
- Implement a unified confidence analysis section with a 2-column layout.
- Improve probability distribution visualization using bullet charts.
- Refactor classification results to include prediction, confidence, and ground truth in a compact format.
- Optimize layout for better readability and reduced visual clutter.
- Ensure compatibility with batch and single-file processing modes.
- .gitignore +1 -0
- app.py +574 -296
.gitignore
CHANGED
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@@ -15,6 +15,7 @@ outputs/logs/
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docs/PROJECT_REPORT.md
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wea-*.txt
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sta-*.txt
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# --- Data (keep folder, ignore files) ---
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datasets/**
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docs/PROJECT_REPORT.md
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wea-*.txt
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sta-*.txt
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+
S3PR.md
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# --- Data (keep folder, ignore files) ---
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datasets/**
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app.py
CHANGED
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@@ -1,3 +1,9 @@
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from models.resnet_cnn import ResNet1D
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from models.figure2_cnn import Figure2CNN
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import hashlib
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@@ -21,155 +27,189 @@ if utils_path.is_dir() and str(utils_path) not in sys.path:
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sys.path.append(str(utils_path))
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matplotlib.use("Agg") # ensure headless rendering in Spaces
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-
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from utils.preprocessing import resample_spectrum
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-
from utils.errors import ErrorHandler, safe_execute
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-
from utils.results_manager import ResultsManager
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-
from utils.confidence import calculate_softmax_confidence, get_confidence_badge, create_confidence_progress_html
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-
from utils.multifile import create_batch_uploader, process_multiple_files, display_batch_results
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KEEP_KEYS = {
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# ==global UI context we want to keep after "Reset"==
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"model_select", # sidebar model key
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"input_mode", # radio for Upload|Sample
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"uploader_version",
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"input_registry", # radio controlling Upload vs Sample
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}
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-
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st.set_page_config(
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page_title="ML Polymer Classification",
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page_icon="π¬",
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layout="wide",
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initial_sidebar_state="expanded"
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)
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-
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st.markdown("""
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<style>
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/*
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/* Tabs content area
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div[data-testid="stTabs"] > div[role="tablist"] + div {
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/*
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.confbox {
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font-
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border-radius:
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}
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/*
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.kv-row {
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-
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/*
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:where(h5, .stMarkdown h5) {
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/*
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div.stExpander > details > summary {
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display: flex;
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align-items: center;
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justify-content: space-between;
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list-style: none; /* remove default arrow */
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cursor: pointer;
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border: 1px solid
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border-left: 4px solid #9ca3af; /* default gray accent */
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border-radius: 6px;
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padding: 6px
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margin:
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background:
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font-weight: 600;
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font-size: 0.95rem;
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}
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/* Remove
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div.stExpander > details > summary::-webkit-details-marker
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display: none;
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}
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div.stExpander > details > summary::marker {
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display: none;
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}
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/*
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div.stExpander > details[open] > summary {
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background: rgba(0,0,0,0.06);
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}
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-
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/* Hide Streamlit's custom arrow icon inside expanders */
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div[data-testid="stExpander"] summary svg {
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display: none !important;
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}
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/*
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div.stExpander > details > summary::after {
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content: "
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font-size:
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font-weight:
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letter-spacing: .
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padding:
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border-radius: 999px;
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-
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-
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color: #111827;
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}
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/*
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.expander-marker + div[data-testid="stExpander"] summary {
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border-left-color: #
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background:
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}
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.expander-marker + div[data-testid="stExpander"] summary::after {
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content: "RESULTS";
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background:
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color: #
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}
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div.stExpander:has(summary:contains("Technical")) > details > summary {
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border-left-color: #
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background:
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}
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div.stExpander:has(summary:contains("Technical")) > details > summary::after {
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content: "ADVANCED";
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background:
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}
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/*
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/* Sidebar metrics (Accuracy, F1 Score) */
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div[data-testid="stMetricValue"] {
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font-size: 0.95rem !important;
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}
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div[data-testid="stMetricLabel"] {
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font-size: 0.85rem !important;
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opacity: 0.
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}
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/* Sidebar
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section[data-testid="stSidebar"]
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font-size: 0.95rem !important;
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line-height: 1.
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}
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/* Diagnostics
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div[data-testid="stMetricValue"] {
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font-size: 0.95rem !important;
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}
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div[data-testid="stMetricLabel"] {
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font-size: 0.85rem !important;
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}
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-
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-
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</style>
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""", unsafe_allow_html=True)
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-
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TARGET_LEN = 500
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SAMPLE_DATA_DIR = Path("sample_data")
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# Prefer env var, else 'model_weights' if present; else canonical 'outputs'
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}
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}
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-
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LABEL_MAP = {0: "Stable (Unweathered)", 1: "Weathered (Degraded)"}
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-
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def init_session_state():
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"""Keep a persistent session state"""
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defaults = {
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"uploader_version": 0,
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"current_upload_key": "upload_txt_0",
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"active_tab": "Details",
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"batch_mode": False
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}
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for k, v in defaults.items():
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st.session_state.setdefault(k, v)
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if key not in st.session_state:
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st.session_state[key] = default_value
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-
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ResultsManager.init_results_table()
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def load_state_dict(_mtime, model_path):
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"""Load state dict with mtime in cache key to detect file changes"""
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try:
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return torch.load(model_path, map_location="cpu"
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except (FileNotFoundError, RuntimeError) as e:
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st.warning(f"Error loading state dict: {e}")
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return None
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else:
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return model, False
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except (FileNotFoundError, KeyError) as e:
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st.error(f"β Error loading model {model_name}: {str(e)}")
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return None, False
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if torch.cuda.is_available():
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torch.cuda.empty_cache()
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@st.cache_data
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def run_inference(y_resampled, model_choice, _cache_key=None):
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"""Run model inference and cache results"""
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if not model_loaded:
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return None, None, None, None, None
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input_tensor = torch.tensor(
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start_time = time.time()
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model.eval()
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with torch.no_grad():
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if model is None:
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raise ValueError(
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logits = model(input_tensor)
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prediction = torch.argmax(logits, dim=1).item()
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logits_list = logits.detach().numpy().tolist()[0]
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return x, y
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@st.cache_data
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def create_spectrum_plot(x_raw, y_raw, x_resampled, y_resampled, _cache_key=None):
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"""Create spectrum visualization plot"""
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ax[0].legend()
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# == Resampled spectrum ==
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ax[1].plot(x_resampled, y_resampled, label="Resampled",
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ax[1].set_title(f"Resampled ({len(y_resampled)} points)")
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ax[1].set_xlabel("Wavenumber (cmβ»ΒΉ)")
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ax[1].set_ylabel("Intensity")
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return Image.open(buf)
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from typing import Union
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def render_confidence_progress(
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probs: np.ndarray,
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highlight_idx: Union[int, None] = None,
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side_by_side: bool = True
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):
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"""Render Streamlit native progress bars
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and place the two bars side-by-side for compactness."""
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p = np.asarray(probs, dtype=float)
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p = np.clip(p, 0.0, 1.0)
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def _title(i: int, lbl: str, val: float) -> str:
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t = f"{lbl} - {val*100:.1f}%"
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return f"**{t}**" if (highlight_idx is not None and i == highlight_idx) else t
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-
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if side_by_side:
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cols = st.columns(len(labels))
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for i, (lbl, val, col) in enumerate(zip(labels, p, cols)):
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with col:
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-
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st.progress(int(round(val * 100)))
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else:
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for i, (lbl, val) in enumerate(zip(labels, p)):
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-
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-
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def render_kv_grid(d: dict, ncols: int = 2):
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"""Display dict as a clean grid of key/value rows."""
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if not d:
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return
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items = list(d.items())
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cols = st.columns(ncols)
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for i, (k, v) in enumerate(items):
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with cols[i % ncols]:
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st.
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f"<div class='kv-row'><span class='kv-key'>{k}</span>"
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f"<span class='kv-val'>{v}</span></div>",
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unsafe_allow_html=True
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)
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-
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-
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def render_model_meta(model_choice: str):
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else:
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return "LOW", "π΄"
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def log_message(msg: str):
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"""Append a timestamped line to the in-app log, creating the buffer if needed."""
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ErrorHandler.log_info(msg)
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def trigger_run():
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"""Set a flag so we can detect button press reliably across reruns"""
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st.session_state['run_requested'] = True
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def on_sample_change():
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"""Read selected sample once and persist as text."""
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sel = st.session_state.get("sample_select", "-- Select Sample --")
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st.session_state["status_message"] = f"β Error loading sample: {e}"
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st.session_state["status_type"] = "error"
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def on_input_mode_change():
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"""Reset sample when switching to Upload"""
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if st.session_state["input_mode"] == "Upload File":
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st.session_state["sample_select"] = "-- Select Sample --"
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# π§ Reset when switching modes to prevent stale right-column visuals
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reset_results("Switched input mode")
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def on_model_change():
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"""Force the right column back to init state when the model changes"""
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reset_results("Model changed")
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def reset_results(reason: str = ""):
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"""Clear previous inference artifacts so the right column returns to initial state."""
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st.session_state["inference_run_once"] = False
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st.session_state["x_raw"] = None
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st.session_state["y_raw"] = None
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st.session_state["y_resampled"] = None
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# ||== Clear logs between runs ==||
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st.session_state["log_messages"] = []
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# ||== Always reset the status box ==||
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)
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st.session_state["status_type"] = "info"
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def reset_ephemeral_state():
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"""remove everything except KEPT global UI context"""
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for k in list(st.session_state.keys()):
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@@ -539,9 +613,9 @@ def reset_ephemeral_state():
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# == bump the uploader version β new widget instance with empty value ==
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st.session_state["uploader_version"] += 1
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st.session_state["current_upload_key"] = f"upload_txt_{st.session_state['uploader_version']}"
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-
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# == reseed other emphemeral state ==
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st.session_state["input_text"] =
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st.session_state["filename"] = None
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st.session_state["input_source"] = None
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st.session_state["sample_select"] = "-- Select Sample --"
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st.session_state["log_messages"] = []
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st.session_state["status_message"] = "Ready to analyze polymer spectra π¬"
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st.session_state["status_type"] = "info"
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-
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st.rerun()
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# Main app
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def main():
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init_session_state()
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@@ -564,43 +640,43 @@ def main():
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with st.sidebar:
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# Header
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st.header("AI-Driven Polymer Classification")
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st.caption(
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-
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-
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model_choice = selected_label.split(" ", 1)[1]
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# ===Compact metadata directly under dropdown===
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render_model_meta(model_choice)
|
| 574 |
|
| 575 |
# ===Collapsed info to reduce clutter===
|
| 576 |
-
with st.expander("About This App",icon=":material/info:", expanded=False):
|
| 577 |
st.markdown("""
|
| 578 |
AI-Driven Polymer Aging Prediction and Classification
|
| 579 |
|
| 580 |
-
**Purpose**: Classify polymer degradation using AI
|
| 581 |
**Input**: Raman spectroscopy `.txt` files
|
| 582 |
**Models**: CNN architectures for binary classification
|
| 583 |
**Next**: More trained CNNs in evaluation pipeline
|
| 584 |
|
| 585 |
-
---
|
| 586 |
|
| 587 |
**Contributors**
|
| 588 |
Dr. Sanmukh Kuppannagari (Mentor)
|
| 589 |
Dr. Metin Karailyan (Mentor)
|
| 590 |
-
|
| 591 |
|
| 592 |
-
---
|
| 593 |
|
| 594 |
**Links**
|
| 595 |
-
|
| 596 |
-
|
| 597 |
|
| 598 |
-
---
|
| 599 |
|
| 600 |
**Citation Figure2CNN (baseline)**
|
| 601 |
Neo et al., 2023, *Resour. Conserv. Recycl.*, 188, 106718.
|
| 602 |
[https://doi.org/10.1016/j.resconrec.2022.106718](https://doi.org/10.1016/j.resconrec.2022.106718)
|
| 603 |
-
""")
|
| 604 |
|
| 605 |
# Main content area
|
| 606 |
col1, col2 = st.columns([1, 1.35], gap="small")
|
|
@@ -616,7 +692,7 @@ def main():
|
|
| 616 |
on_change=on_input_mode_change
|
| 617 |
)
|
| 618 |
|
| 619 |
-
|
| 620 |
if mode == "Upload File":
|
| 621 |
upload_key = st.session_state["current_upload_key"]
|
| 622 |
up = st.file_uploader(
|
|
@@ -626,36 +702,38 @@ def main():
|
|
| 626 |
key=upload_key, # β versioned key
|
| 627 |
)
|
| 628 |
|
| 629 |
-
|
| 630 |
if up is not None:
|
| 631 |
raw = up.read()
|
| 632 |
text = raw.decode("utf-8") if isinstance(raw, bytes) else raw
|
| 633 |
# == only reparse if its a different file|source ==
|
| 634 |
if st.session_state.get("filename") != getattr(up, "name", None) or st.session_state.get("input_source") != "upload":
|
| 635 |
-
st.session_state["input_text"] = text
|
| 636 |
-
st.session_state["filename"] = getattr(up, "name",
|
| 637 |
st.session_state["input_source"] = "upload"
|
|
|
|
| 638 |
st.session_state["batch_mode"] = False
|
| 639 |
-
|
| 640 |
-
# == clear right column immediately ==
|
| 641 |
-
reset_results("New file selected")
|
| 642 |
-
st.session_state["status_message"] = f"π File '{st.session_state['filename']}' ready for analysis"
|
| 643 |
st.session_state["status_type"] = "success"
|
| 644 |
-
|
|
|
|
|
|
|
| 645 |
elif mode == "Batch Upload":
|
| 646 |
st.session_state["batch_mode"] = True
|
| 647 |
uploaded_files = create_batch_uploader()
|
| 648 |
|
| 649 |
if uploaded_files:
|
| 650 |
-
st.success(
|
|
|
|
| 651 |
st.session_state["batch_files"] = uploaded_files
|
| 652 |
st.session_state["status_message"] = f"{len(uploaded_files)} ready for batch analysis"
|
| 653 |
st.session_state["status_type"] = "success"
|
| 654 |
else:
|
| 655 |
-
|
| 656 |
st.session_state["batch_files"] = []
|
| 657 |
-
|
| 658 |
-
|
|
|
|
|
|
|
| 659 |
elif mode == "Sample Data":
|
| 660 |
st.session_state["batch_mode"] = False
|
| 661 |
sample_files = get_sample_files()
|
|
@@ -666,14 +744,15 @@ def main():
|
|
| 666 |
"Choose sample spectrum:",
|
| 667 |
options,
|
| 668 |
key="sample_select",
|
| 669 |
-
on_change=on_sample_change,
|
| 670 |
)
|
| 671 |
if sel != "-- Select Sample --":
|
| 672 |
-
st.
|
|
|
|
| 673 |
else:
|
| 674 |
st.info("No sample data available")
|
| 675 |
|
| 676 |
-
|
| 677 |
msg = st.session_state.get("status_message", "Ready")
|
| 678 |
typ = st.session_state.get("status_type", "info")
|
| 679 |
if typ == "success":
|
|
@@ -683,19 +762,21 @@ def main():
|
|
| 683 |
else:
|
| 684 |
st.info(msg)
|
| 685 |
|
| 686 |
-
|
| 687 |
model, model_loaded = load_model(model_choice)
|
| 688 |
if not model_loaded:
|
| 689 |
st.warning("β οΈ Model weights not available - using demo mode")
|
| 690 |
|
| 691 |
-
|
| 692 |
is_batch_mode = st.session_state.get("batch_mode", False)
|
| 693 |
batch_files = st.session_state.get("batch_files", [])
|
| 694 |
|
| 695 |
inference_ready = False # Initialize with a default value
|
| 696 |
if is_batch_mode:
|
| 697 |
inference_ready = len(batch_files) > 0 and (model is not None)
|
| 698 |
-
|
|
|
|
|
|
|
| 699 |
|
| 700 |
# === Run Analysis (form submit batches state) ===
|
| 701 |
with st.form("analysis_form", clear_on_submit=False):
|
|
@@ -708,92 +789,35 @@ def main():
|
|
| 708 |
if st.button("Reset", help="Clear current file(s), plots, and results"):
|
| 709 |
reset_ephemeral_state()
|
| 710 |
|
| 711 |
-
|
| 712 |
-
|
| 713 |
if submitted and inference_ready:
|
| 714 |
if is_batch_mode:
|
| 715 |
-
#==Batch Mode Processing==|
|
| 716 |
-
|
| 717 |
with st.spinner(f"Processing {len(batch_files)} files ..."):
|
| 718 |
-
|
| 719 |
-
status_text = st.empty()
|
| 720 |
-
def progress_callback(current, total, filename):
|
| 721 |
-
progress = current / total if total > 0 else 0
|
| 722 |
-
progress_bar.progress(progress)
|
| 723 |
-
|
| 724 |
-
status_text.text(f"Processing: {filename} ({current}/{total})")
|
| 725 |
-
|
| 726 |
-
#=Process all files=
|
| 727 |
batch_results = process_multiple_files(
|
| 728 |
-
batch_files,
|
| 729 |
-
model_choice,
|
| 730 |
-
load_model,
|
| 731 |
-
run_inference,
|
| 732 |
-
label_file
|
| 733 |
-
progress_callback
|
| 734 |
)
|
| 735 |
-
|
| 736 |
-
progress_bar.progress(1.0)
|
| 737 |
-
|
| 738 |
-
status_text.text("Batch processing complete!")
|
| 739 |
-
|
| 740 |
-
#=Update session state=
|
| 741 |
st.session_state["batch_results"] = batch_results
|
| 742 |
-
st.
|
| 743 |
-
|
| 744 |
-
|
| 745 |
-
st.
|
| 746 |
-
|
| 747 |
-
st.rerun()
|
| 748 |
else:
|
| 749 |
-
# === Single File Mode Processing ===
|
| 750 |
-
# parse β preprocess β predict β render
|
| 751 |
-
# Handles the submission of the analysis form and performs spectrum data processing
|
| 752 |
try:
|
| 753 |
-
|
| 754 |
-
|
| 755 |
-
|
| 756 |
-
|
| 757 |
-
with st.spinner("Parsing spectrum data..."):
|
| 758 |
-
x_raw, y_raw = parse_spectrum_data(raw_text)
|
| 759 |
-
|
| 760 |
-
# Resample
|
| 761 |
-
with st.spinner("Resampling spectrum..."):
|
| 762 |
-
# ===Resample Unpack===
|
| 763 |
-
r1, r2 = resample_spectrum(x_raw, y_raw, TARGET_LEN)
|
| 764 |
-
|
| 765 |
-
def _is_strictly_increasing(a):
|
| 766 |
-
a = np.asarray(a)
|
| 767 |
-
return a.ndim == 1 and a.size >= 2 and np.all(np.diff(a) > 0)
|
| 768 |
-
|
| 769 |
-
if _is_strictly_increasing(r1) and not _is_strictly_increasing(r2):
|
| 770 |
-
x_resampled, y_resampled = np.asarray(r1), np.asarray(r2)
|
| 771 |
-
elif _is_strictly_increasing(r2) and not _is_strictly_increasing(r1):
|
| 772 |
-
x_resampled, y_resampled = np.asarray(r2), np.asarray(r1)
|
| 773 |
-
else:
|
| 774 |
-
# == Ambigous; assume (x, y) and log
|
| 775 |
-
x_resampled, y_resampled = np.asarray(r1), np.asarray(r2)
|
| 776 |
-
log_message("Resample outputs ambigous; assumed (x, y).")
|
| 777 |
-
|
| 778 |
-
# ===Persists for plotting + inference===
|
| 779 |
-
st.session_state["x_raw"] = x_raw
|
| 780 |
-
st.session_state["y_raw"] = y_raw
|
| 781 |
-
st.session_state["x_resampled"] = x_resampled # β-- NEW
|
| 782 |
-
st.session_state["y_resampled"] = y_resampled
|
| 783 |
-
|
| 784 |
-
# Persist results (drives right column)
|
| 785 |
st.session_state["x_raw"] = x_raw
|
| 786 |
st.session_state["y_raw"] = y_raw
|
|
|
|
| 787 |
st.session_state["y_resampled"] = y_resampled
|
| 788 |
st.session_state["inference_run_once"] = True
|
| 789 |
-
st.session_state["status_message"] = f"π Analysis completed for: {filename}"
|
| 790 |
-
st.session_state["status_type"] = "success"
|
| 791 |
-
|
| 792 |
-
st.rerun()
|
| 793 |
-
|
| 794 |
except (ValueError, TypeError) as e:
|
| 795 |
-
|
| 796 |
-
st.error(f"β Analysis failed: {e}")
|
| 797 |
st.session_state["status_message"] = f"β Error: {e}"
|
| 798 |
st.session_state["status_type"] = "error"
|
| 799 |
|
|
@@ -827,16 +851,20 @@ def main():
|
|
| 827 |
if all(v is not None for v in [x_raw, y_raw, y_resampled]):
|
| 828 |
# ===Run inference===
|
| 829 |
if y_resampled is None:
|
| 830 |
-
raise ValueError(
|
| 831 |
-
|
|
|
|
|
|
|
| 832 |
prediction, logits_list, probs, inference_time, logits = run_inference(
|
| 833 |
y_resampled, model_choice, _cache_key=cache_key
|
| 834 |
)
|
| 835 |
if prediction is None:
|
| 836 |
-
st.error(
|
|
|
|
| 837 |
st.stop() # prevents the rest of the code in this block from executing
|
| 838 |
|
| 839 |
-
log_message(
|
|
|
|
| 840 |
|
| 841 |
# ===Get ground truth===
|
| 842 |
true_label_idx = label_file(filename)
|
|
@@ -846,17 +874,19 @@ def main():
|
|
| 846 |
predicted_class = LABEL_MAP.get(
|
| 847 |
int(prediction), f"Class {int(prediction)}")
|
| 848 |
|
| 849 |
-
|
| 850 |
# Enhanced confidence calculation
|
| 851 |
if logits is not None:
|
| 852 |
# Use new softmax-based confidence
|
| 853 |
-
probs_np, max_confidence, confidence_level, confidence_emoji = calculate_softmax_confidence(
|
|
|
|
| 854 |
confidence_desc = confidence_level
|
| 855 |
else:
|
| 856 |
# Fallback to legace method
|
| 857 |
-
logit_margin = abs(
|
| 858 |
-
|
| 859 |
-
|
|
|
|
|
|
|
| 860 |
probs_np = np.array([])
|
| 861 |
|
| 862 |
# Store result in results manager for single file too
|
|
@@ -875,7 +905,7 @@ def main():
|
|
| 875 |
}
|
| 876 |
)
|
| 877 |
|
| 878 |
-
|
| 879 |
spec_stats = {
|
| 880 |
"Original Length": len(x_raw) if x_raw is not None else 0,
|
| 881 |
"Resampled Length": TARGET_LEN,
|
|
@@ -884,13 +914,15 @@ def main():
|
|
| 884 |
"Confidence Bucket": confidence_desc,
|
| 885 |
}
|
| 886 |
model_path = MODEL_CONFIG[model_choice]["path"]
|
| 887 |
-
mtime = os.path.getmtime(
|
|
|
|
| 888 |
file_hash = (
|
| 889 |
hashlib.md5(open(model_path, 'rb').read()).hexdigest()
|
| 890 |
if os.path.exists(model_path) else "N/A"
|
| 891 |
)
|
| 892 |
-
input_tensor = torch.tensor(
|
| 893 |
-
|
|
|
|
| 894 |
"Architecture": model_choice,
|
| 895 |
"Model Path": model_path,
|
| 896 |
"Weights Last Modified": time.strftime('%Y-%m-%d %H:%M:%S', time.localtime(mtime)) if mtime else "N/A",
|
|
@@ -909,98 +941,342 @@ def main():
|
|
| 909 |
["Details", "Technical", "Explanation"],
|
| 910 |
key="active_tab", # reuse the key you were managing manually
|
| 911 |
)
|
| 912 |
-
|
| 913 |
if active_tab == "Details":
|
| 914 |
-
with st.
|
| 915 |
-
|
| 916 |
-
**
|
| 917 |
-
|
| 918 |
-
|
| 919 |
-
|
| 920 |
-
|
| 921 |
-
|
| 922 |
-
|
| 923 |
-
|
| 924 |
-
|
| 925 |
-
|
|
|
|
|
|
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|
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|
|
|
|
|
| 926 |
st.markdown(
|
| 927 |
-
|
| 928 |
-
|
| 929 |
-
|
| 930 |
-
|
| 931 |
-
|
| 932 |
-
|
| 933 |
-
|
| 934 |
-
|
| 935 |
-
|
|
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|
|
|
|
|
| 936 |
st.markdown(
|
| 937 |
-
"
|
| 938 |
-
|
| 939 |
-
|
| 940 |
-
|
| 941 |
-
|
| 942 |
-
|
| 943 |
-
|
| 944 |
-
|
| 945 |
-
|
| 946 |
-
|
| 947 |
-
|
| 948 |
-
|
| 949 |
-
|
| 950 |
-
|
| 951 |
-
|
| 952 |
-
|
| 953 |
-
|
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|
| 954 |
)
|
| 955 |
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|
|
|
|
|
| 956 |
elif active_tab == "Technical":
|
| 957 |
with st.container():
|
| 958 |
-
st.markdown("
|
| 959 |
-
|
| 960 |
-
|
| 961 |
-
|
|
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|
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|
| 962 |
if logits_list is not None:
|
| 963 |
-
|
| 964 |
-
|
| 965 |
-
|
| 966 |
-
|
| 967 |
-
|
| 968 |
-
|
| 969 |
-
|
| 970 |
-
|
| 971 |
-
|
| 972 |
-
|
| 973 |
-
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|
| 974 |
|
| 975 |
elif active_tab == "Explanation":
|
| 976 |
with st.container():
|
|
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|
| 977 |
st.markdown("""
|
| 978 |
-
|
| 979 |
-
|
| 980 |
-
|
| 981 |
-
|
| 982 |
-
|
| 983 |
-
4. **Classification**: Binary prediction with confidence scores
|
| 984 |
-
|
| 985 |
-
**π§ Model Interpretation**
|
| 986 |
|
| 987 |
-
|
| 988 |
-
-
|
| 989 |
-
-
|
|
|
|
| 990 |
|
| 991 |
-
|
| 992 |
-
|
| 993 |
-
-
|
| 994 |
-
-
|
| 995 |
-
- Quality control in manufacturing
|
| 996 |
-
- Environmental impact studies
|
| 997 |
""")
|
| 998 |
|
| 999 |
-
|
| 1000 |
-
|
|
|
|
| 1001 |
|
| 1002 |
-
st.markdown("<div class='expander-marker expander-success'></div>", unsafe_allow_html=True)
|
| 1003 |
with st.expander("Spectrum Preprocessing Results", expanded=False):
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1004 |
# Create and display plot
|
| 1005 |
cache_key = hashlib.md5(
|
| 1006 |
f"{(x_raw.tobytes() if x_raw is not None else b'')}"
|
|
@@ -1008,8 +1284,10 @@ def main():
|
|
| 1008 |
f"{(x_resampled.tobytes() if x_resampled is not None else b'')}"
|
| 1009 |
f"{(y_resampled.tobytes() if y_resampled is not None else b'')}".encode()
|
| 1010 |
).hexdigest()
|
| 1011 |
-
spectrum_plot = create_spectrum_plot(
|
| 1012 |
-
|
|
|
|
|
|
|
| 1013 |
|
| 1014 |
else:
|
| 1015 |
st.error(
|
|
|
|
| 1 |
+
from typing import Union
|
| 2 |
+
from utils.multifile import create_batch_uploader, process_multiple_files, display_batch_results
|
| 3 |
+
from utils.confidence import calculate_softmax_confidence, get_confidence_badge, create_confidence_progress_html
|
| 4 |
+
from utils.results_manager import ResultsManager
|
| 5 |
+
from utils.errors import ErrorHandler, safe_execute
|
| 6 |
+
from utils.preprocessing import resample_spectrum
|
| 7 |
from models.resnet_cnn import ResNet1D
|
| 8 |
from models.figure2_cnn import Figure2CNN
|
| 9 |
import hashlib
|
|
|
|
| 27 |
sys.path.append(str(utils_path))
|
| 28 |
matplotlib.use("Agg") # ensure headless rendering in Spaces
|
| 29 |
|
| 30 |
+
# ==Import local modules + new modules==
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 31 |
|
| 32 |
KEEP_KEYS = {
|
| 33 |
# ==global UI context we want to keep after "Reset"==
|
| 34 |
"model_select", # sidebar model key
|
| 35 |
"input_mode", # radio for Upload|Sample
|
| 36 |
+
"uploader_version", # version counter for file uploader
|
| 37 |
"input_registry", # radio controlling Upload vs Sample
|
| 38 |
}
|
| 39 |
|
| 40 |
+
# ==Page Configuration==
|
| 41 |
st.set_page_config(
|
| 42 |
page_title="ML Polymer Classification",
|
| 43 |
page_icon="π¬",
|
| 44 |
layout="wide",
|
| 45 |
+
initial_sidebar_state="expanded",
|
| 46 |
+
menu_items={
|
| 47 |
+
"Get help": "https://github.com/KLab-AI3/ml-polymer-recycling"}
|
| 48 |
)
|
| 49 |
|
| 50 |
+
# ==Custom CSS Page + Element Styling==
|
| 51 |
st.markdown("""
|
| 52 |
<style>
|
| 53 |
+
/* Modern, slightly darker custom CSS for Streamlit app */
|
| 54 |
+
/* Optimized for accessibility, consistency, and tech-forward aesthetics */
|
| 55 |
+
|
| 56 |
+
/* Scoped global styles */
|
| 57 |
+
:where(html, body, .stApp) {
|
| 58 |
+
background-color: #111827; /* Tailwind gray-900, dark and sleek */
|
| 59 |
+
color: #fff; /* Tailwind slate-100, high contrast */
|
| 60 |
+
font-family: 'roboto', 'ui-monospace', 'SFMono-Regular', 'Menlo', 'Consolas', monospace;
|
| 61 |
+
font-size: 16px; /* Base font size for accessibility */
|
| 62 |
+
line-height: 1.4;
|
| 63 |
+
}
|
| 64 |
|
| 65 |
+
/* Tabs content area */
|
| 66 |
+
div[data-testid="stTabs"] > div[role="tablist"] + div {
|
| 67 |
+
min-height: 400px;
|
| 68 |
+
background: #1f2937; /* Tailwind gray-800, slightly lighter for depth */
|
| 69 |
+
border-radius: 8px;
|
| 70 |
+
padding: 20px;
|
| 71 |
+
}
|
| 72 |
|
| 73 |
+
/* Confidence box */
|
| 74 |
.confbox {
|
| 75 |
+
font-size: 0.9rem;
|
| 76 |
+
padding: 10px 12px;
|
| 77 |
+
border: 1px solid #374151; /* Tailwind gray-700 */
|
| 78 |
+
border-radius: 6px;
|
| 79 |
+
background: #1e293b; /* Tailwind slate-800 */
|
| 80 |
+
color: #d1d5db; /* Tailwind gray-300 */
|
| 81 |
}
|
| 82 |
|
| 83 |
+
/* Key-value rows */
|
| 84 |
+
.kv-row {
|
| 85 |
+
display: flex;
|
| 86 |
+
justify-content: space-between;
|
| 87 |
+
gap: 16px;
|
| 88 |
+
padding: 4px 0;
|
| 89 |
+
border-bottom: 1px solid #374151; /* Tailwind gray-700 */
|
| 90 |
+
}
|
| 91 |
+
.kv-key {
|
| 92 |
+
opacity: 0.8;
|
| 93 |
+
font-size: 0.9rem;
|
| 94 |
+
white-space: nowrap;
|
| 95 |
+
}
|
| 96 |
+
.kv-val {
|
| 97 |
+
font-family: 'Fira Code', monospace;
|
| 98 |
+
font-size: 0.9rem;
|
| 99 |
+
color: #e5e7eb; /* Tailwind gray-200 */
|
| 100 |
+
overflow-wrap: break-word;
|
| 101 |
+
}
|
| 102 |
|
| 103 |
+
/* Markdown headings */
|
| 104 |
+
:where(h5, .stMarkdown h5) {
|
| 105 |
+
margin-top: 0.5rem;
|
| 106 |
+
color: #f1f5f9; /* Tailwind slate-100 */
|
| 107 |
+
font-weight: 500;
|
| 108 |
+
}
|
| 109 |
|
| 110 |
+
/* Expander styles */
|
| 111 |
div.stExpander > details > summary {
|
| 112 |
display: flex;
|
| 113 |
align-items: center;
|
| 114 |
justify-content: space-between;
|
|
|
|
| 115 |
cursor: pointer;
|
| 116 |
+
border: 1px solid #374151; /* Tailwind gray-700 */
|
|
|
|
| 117 |
border-radius: 6px;
|
| 118 |
+
padding: 6px 10px;
|
| 119 |
+
margin: 0;
|
| 120 |
+
background: #1e293b; /* Tailwind slate-800 */
|
| 121 |
font-weight: 600;
|
| 122 |
font-size: 0.95rem;
|
| 123 |
+
color: #d1d5db; /* Tailwind gray-300 */
|
| 124 |
}
|
| 125 |
|
| 126 |
+
/* Remove default disclosure markers */
|
| 127 |
+
div.stExpander > details > summary::-webkit-details-marker,
|
|
|
|
|
|
|
| 128 |
div.stExpander > details > summary::marker {
|
| 129 |
display: none;
|
| 130 |
}
|
| 131 |
|
| 132 |
+
/* Hide Streamlit's custom arrow icon */
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 133 |
div[data-testid="stExpander"] summary svg {
|
| 134 |
display: none !important;
|
| 135 |
}
|
| 136 |
|
| 137 |
+
/* Expander hover state */
|
| 138 |
+
div.stExpander > details[open] > summary {
|
| 139 |
+
background: #374151; /* Tailwind gray-700 */
|
| 140 |
+
}
|
| 141 |
+
|
| 142 |
+
/* Expander badge */
|
| 143 |
div.stExpander > details > summary::after {
|
| 144 |
+
content: " β ";
|
| 145 |
+
font-size: 1.2rem;
|
| 146 |
+
font-weight: 1000;
|
| 147 |
+
letter-spacing: 0.5 ;
|
| 148 |
+
padding: 3px 10px;
|
| 149 |
+
border: 1px solid #4b5563;
|
| 150 |
border-radius: 999px;
|
| 151 |
+
background: #374151; /* Tailwind gray-600 */
|
| 152 |
+
color: #e5e7eb; /* Tailwind gray-200 */
|
|
|
|
| 153 |
}
|
| 154 |
|
| 155 |
+
/* Success/results expander */
|
| 156 |
.expander-marker + div[data-testid="stExpander"] summary {
|
| 157 |
+
border-left-color: #059669; /* Tailwind emerald-600 */
|
| 158 |
+
background: #1e293b; /* Tailwind slate-800 */
|
| 159 |
}
|
| 160 |
.expander-marker + div[data-testid="stExpander"] summary::after {
|
| 161 |
content: "RESULTS";
|
| 162 |
+
background: #047857; /* Tailwind emerald-700 */
|
| 163 |
+
color: #d1fae5; /* Tailwind emerald-100 */
|
| 164 |
}
|
| 165 |
|
| 166 |
+
[data-testid="stExpanderDetails"] {
|
| 167 |
+
padding-top: 10px;
|
| 168 |
+
}
|
| 169 |
|
| 170 |
+
/* Technical expander */
|
| 171 |
div.stExpander:has(summary:contains("Technical")) > details > summary {
|
| 172 |
+
border-left-color: #ea580c; /* Tailwind orange-600 */
|
| 173 |
+
background: #1e293b; /* Tailwind slate-800 */
|
| 174 |
}
|
| 175 |
div.stExpander:has(summary:contains("Technical")) > details > summary::after {
|
| 176 |
content: "ADVANCED";
|
| 177 |
+
background: #c2410c; /* Tailwind orange-700 */
|
| 178 |
+
color: #ffedd5; /* Tailwind orange-100 */
|
| 179 |
}
|
| 180 |
|
| 181 |
+
/* Sidebar metrics */
|
|
|
|
|
|
|
| 182 |
div[data-testid="stMetricValue"] {
|
| 183 |
+
font-size: 0.95rem !important;
|
| 184 |
+
color: #f1f5f9; /* Tailwind slate-100 */
|
| 185 |
}
|
| 186 |
div[data-testid="stMetricLabel"] {
|
| 187 |
font-size: 0.85rem !important;
|
| 188 |
+
opacity: 0.8;
|
| 189 |
+
color: #d1d5db; /* Tailwind gray-300 */
|
| 190 |
}
|
| 191 |
|
| 192 |
+
/* Sidebar text */
|
| 193 |
+
section[data-testid="stSidebar"]{
|
| 194 |
font-size: 0.95rem !important;
|
| 195 |
+
line-height: 1.25;
|
| 196 |
+
color: #fff; /* Tailwind gray-200 */
|
| 197 |
}
|
| 198 |
|
| 199 |
+
/* Diagnostics metrics */
|
| 200 |
div[data-testid="stMetricValue"] {
|
| 201 |
font-size: 0.95rem !important;
|
| 202 |
+
color: #f1f5f9; /* Tailwind slate-100 */
|
| 203 |
}
|
| 204 |
div[data-testid="stMetricLabel"] {
|
| 205 |
font-size: 0.85rem !important;
|
| 206 |
+
color: #d1d5db; /* Tailwind gray-300 */
|
| 207 |
}
|
|
|
|
|
|
|
| 208 |
</style>
|
| 209 |
""", unsafe_allow_html=True)
|
| 210 |
|
| 211 |
|
| 212 |
+
# ==CONSTANTS==
|
| 213 |
TARGET_LEN = 500
|
| 214 |
SAMPLE_DATA_DIR = Path("sample_data")
|
| 215 |
# Prefer env var, else 'model_weights' if present; else canonical 'outputs'
|
|
|
|
| 238 |
}
|
| 239 |
}
|
| 240 |
|
| 241 |
+
# ==Label mapping==
|
| 242 |
LABEL_MAP = {0: "Stable (Unweathered)", 1: "Weathered (Degraded)"}
|
| 243 |
|
| 244 |
|
| 245 |
+
# ==UTILITY FUNCTIONS==
|
| 246 |
def init_session_state():
|
| 247 |
"""Keep a persistent session state"""
|
| 248 |
defaults = {
|
|
|
|
| 259 |
"uploader_version": 0,
|
| 260 |
"current_upload_key": "upload_txt_0",
|
| 261 |
"active_tab": "Details",
|
| 262 |
+
"batch_mode": False # Track if in batch mode
|
| 263 |
}
|
| 264 |
for k, v in defaults.items():
|
| 265 |
st.session_state.setdefault(k, v)
|
|
|
|
| 268 |
if key not in st.session_state:
|
| 269 |
st.session_state[key] = default_value
|
| 270 |
|
| 271 |
+
# ==Initialize results table==
|
| 272 |
ResultsManager.init_results_table()
|
| 273 |
|
| 274 |
|
|
|
|
| 288 |
def load_state_dict(_mtime, model_path):
|
| 289 |
"""Load state dict with mtime in cache key to detect file changes"""
|
| 290 |
try:
|
| 291 |
+
return torch.load(model_path, map_location="cpu")
|
| 292 |
except (FileNotFoundError, RuntimeError) as e:
|
| 293 |
st.warning(f"Error loading state dict: {e}")
|
| 294 |
return None
|
|
|
|
| 326 |
else:
|
| 327 |
return model, False
|
| 328 |
|
| 329 |
+
except (FileNotFoundError, KeyError, RuntimeError) as e:
|
| 330 |
st.error(f"β Error loading model {model_name}: {str(e)}")
|
| 331 |
return None, False
|
| 332 |
|
|
|
|
| 337 |
if torch.cuda.is_available():
|
| 338 |
torch.cuda.empty_cache()
|
| 339 |
|
| 340 |
+
|
| 341 |
@st.cache_data
|
| 342 |
def run_inference(y_resampled, model_choice, _cache_key=None):
|
| 343 |
"""Run model inference and cache results"""
|
|
|
|
| 345 |
if not model_loaded:
|
| 346 |
return None, None, None, None, None
|
| 347 |
|
| 348 |
+
input_tensor = torch.tensor(
|
| 349 |
+
y_resampled, dtype=torch.float32).unsqueeze(0).unsqueeze(0)
|
| 350 |
start_time = time.time()
|
| 351 |
model.eval()
|
| 352 |
with torch.no_grad():
|
| 353 |
if model is None:
|
| 354 |
+
raise ValueError(
|
| 355 |
+
"Model is not loaded. Please check the model configuration or weights.")
|
| 356 |
logits = model(input_tensor)
|
| 357 |
prediction = torch.argmax(logits, dim=1).item()
|
| 358 |
logits_list = logits.detach().numpy().tolist()[0]
|
|
|
|
| 417 |
|
| 418 |
return x, y
|
| 419 |
|
| 420 |
+
|
| 421 |
@st.cache_data
|
| 422 |
def create_spectrum_plot(x_raw, y_raw, x_resampled, y_resampled, _cache_key=None):
|
| 423 |
"""Create spectrum visualization plot"""
|
|
|
|
| 432 |
ax[0].legend()
|
| 433 |
|
| 434 |
# == Resampled spectrum ==
|
| 435 |
+
ax[1].plot(x_resampled, y_resampled, label="Resampled",
|
| 436 |
+
color="steelblue", linewidth=1)
|
| 437 |
ax[1].set_title(f"Resampled ({len(y_resampled)} points)")
|
| 438 |
ax[1].set_xlabel("Wavenumber (cmβ»ΒΉ)")
|
| 439 |
ax[1].set_ylabel("Intensity")
|
|
|
|
| 449 |
|
| 450 |
return Image.open(buf)
|
| 451 |
|
|
|
|
| 452 |
|
| 453 |
def render_confidence_progress(
|
| 454 |
probs: np.ndarray,
|
|
|
|
| 456 |
highlight_idx: Union[int, None] = None,
|
| 457 |
side_by_side: bool = True
|
| 458 |
):
|
| 459 |
+
"""Render Streamlit native progress bars with scientific formatting."""
|
|
|
|
| 460 |
p = np.asarray(probs, dtype=float)
|
| 461 |
p = np.clip(p, 0.0, 1.0)
|
| 462 |
|
|
|
|
|
|
|
|
|
|
|
|
|
| 463 |
if side_by_side:
|
| 464 |
cols = st.columns(len(labels))
|
| 465 |
for i, (lbl, val, col) in enumerate(zip(labels, p, cols)):
|
| 466 |
with col:
|
| 467 |
+
is_highlighted = (
|
| 468 |
+
highlight_idx is not None and i == highlight_idx)
|
| 469 |
+
label_text = f"**{lbl}**" if is_highlighted else lbl
|
| 470 |
+
st.markdown(f"{label_text}: {val*100:.1f}%")
|
| 471 |
st.progress(int(round(val * 100)))
|
| 472 |
else:
|
| 473 |
+
# Vertical layout for better readability
|
| 474 |
for i, (lbl, val) in enumerate(zip(labels, p)):
|
| 475 |
+
is_highlighted = (highlight_idx is not None and i == highlight_idx)
|
| 476 |
+
|
| 477 |
+
# Create a container for each probability
|
| 478 |
+
with st.container():
|
| 479 |
+
col1, col2 = st.columns([3, 1])
|
| 480 |
+
with col1:
|
| 481 |
+
if is_highlighted:
|
| 482 |
+
st.markdown(f"**{lbl}** β Predicted")
|
| 483 |
+
else:
|
| 484 |
+
st.markdown(f"{lbl}")
|
| 485 |
+
with col2:
|
| 486 |
+
st.metric(
|
| 487 |
+
label="",
|
| 488 |
+
value=f"{val*100:.1f}%",
|
| 489 |
+
delta=None
|
| 490 |
+
)
|
| 491 |
+
|
| 492 |
+
# Progress bar with conditional styling
|
| 493 |
+
if is_highlighted:
|
| 494 |
+
st.progress(int(round(val * 100)))
|
| 495 |
+
st.caption("π― **Model Prediction**")
|
| 496 |
+
else:
|
| 497 |
+
st.progress(int(round(val * 100)))
|
| 498 |
+
|
| 499 |
+
if i < len(labels) - 1: # Add spacing between items
|
| 500 |
+
st.markdown("")
|
| 501 |
|
| 502 |
|
| 503 |
def render_kv_grid(d: dict, ncols: int = 2):
|
| 504 |
+
"""Display dict as a clean grid of key/value rows using native Streamlit components."""
|
| 505 |
+
if not d:
|
| 506 |
return
|
| 507 |
items = list(d.items())
|
| 508 |
cols = st.columns(ncols)
|
| 509 |
for i, (k, v) in enumerate(items):
|
| 510 |
with cols[i % ncols]:
|
| 511 |
+
st.caption(f"**{k}:** {v}")
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 512 |
|
| 513 |
|
| 514 |
def render_model_meta(model_choice: str):
|
|
|
|
| 539 |
else:
|
| 540 |
return "LOW", "π΄"
|
| 541 |
|
| 542 |
+
|
| 543 |
def log_message(msg: str):
|
| 544 |
"""Append a timestamped line to the in-app log, creating the buffer if needed."""
|
| 545 |
ErrorHandler.log_info(msg)
|
| 546 |
|
| 547 |
+
|
| 548 |
def trigger_run():
|
| 549 |
"""Set a flag so we can detect button press reliably across reruns"""
|
| 550 |
st.session_state['run_requested'] = True
|
| 551 |
|
| 552 |
+
|
| 553 |
def on_sample_change():
|
| 554 |
"""Read selected sample once and persist as text."""
|
| 555 |
sel = st.session_state.get("sample_select", "-- Select Sample --")
|
|
|
|
| 568 |
st.session_state["status_message"] = f"β Error loading sample: {e}"
|
| 569 |
st.session_state["status_type"] = "error"
|
| 570 |
|
| 571 |
+
|
| 572 |
def on_input_mode_change():
|
| 573 |
"""Reset sample when switching to Upload"""
|
| 574 |
if st.session_state["input_mode"] == "Upload File":
|
| 575 |
st.session_state["sample_select"] = "-- Select Sample --"
|
| 576 |
+
st.session_state["batch_mode"] = False # Reset batch mode
|
| 577 |
+
elif st.session_state["input_mode"] == "Sample Data":
|
| 578 |
+
st.session_state["batch_mode"] = False # Reset batch mode
|
| 579 |
# π§ Reset when switching modes to prevent stale right-column visuals
|
| 580 |
reset_results("Switched input mode")
|
| 581 |
|
| 582 |
+
|
| 583 |
def on_model_change():
|
| 584 |
"""Force the right column back to init state when the model changes"""
|
| 585 |
reset_results("Model changed")
|
| 586 |
|
| 587 |
+
|
| 588 |
def reset_results(reason: str = ""):
|
| 589 |
"""Clear previous inference artifacts so the right column returns to initial state."""
|
| 590 |
st.session_state["inference_run_once"] = False
|
| 591 |
st.session_state["x_raw"] = None
|
| 592 |
st.session_state["y_raw"] = None
|
| 593 |
st.session_state["y_resampled"] = None
|
| 594 |
+
# ||== Clear batch results when resetting ==||
|
| 595 |
+
if "batch_results" in st.session_state:
|
| 596 |
+
del st.session_state["batch_results"]
|
| 597 |
# ||== Clear logs between runs ==||
|
| 598 |
st.session_state["log_messages"] = []
|
| 599 |
# ||== Always reset the status box ==||
|
|
|
|
| 603 |
)
|
| 604 |
st.session_state["status_type"] = "info"
|
| 605 |
|
| 606 |
+
|
| 607 |
def reset_ephemeral_state():
|
| 608 |
"""remove everything except KEPT global UI context"""
|
| 609 |
for k in list(st.session_state.keys()):
|
|
|
|
| 613 |
# == bump the uploader version β new widget instance with empty value ==
|
| 614 |
st.session_state["uploader_version"] += 1
|
| 615 |
st.session_state["current_upload_key"] = f"upload_txt_{st.session_state['uploader_version']}"
|
| 616 |
+
|
| 617 |
# == reseed other emphemeral state ==
|
| 618 |
+
st.session_state["input_text"] = None
|
| 619 |
st.session_state["filename"] = None
|
| 620 |
st.session_state["input_source"] = None
|
| 621 |
st.session_state["sample_select"] = "-- Select Sample --"
|
|
|
|
| 627 |
st.session_state["log_messages"] = []
|
| 628 |
st.session_state["status_message"] = "Ready to analyze polymer spectra π¬"
|
| 629 |
st.session_state["status_type"] = "info"
|
| 630 |
+
|
| 631 |
st.rerun()
|
| 632 |
|
| 633 |
# Main app
|
| 634 |
+
|
| 635 |
+
|
| 636 |
def main():
|
| 637 |
init_session_state()
|
| 638 |
|
|
|
|
| 640 |
with st.sidebar:
|
| 641 |
# Header
|
| 642 |
st.header("AI-Driven Polymer Classification")
|
| 643 |
+
st.caption(
|
| 644 |
+
"Predict polymer degradation (Stable vs Weathered) from Raman spectra using validated CNN models. β v0.1")
|
| 645 |
+
model_labels = [
|
| 646 |
+
f"{MODEL_CONFIG[name]['emoji']} {name}" for name in MODEL_CONFIG.keys()]
|
| 647 |
+
selected_label = st.selectbox(
|
| 648 |
+
"Choose AI Model", model_labels, key="model_select", on_change=on_model_change)
|
| 649 |
model_choice = selected_label.split(" ", 1)[1]
|
| 650 |
|
| 651 |
# ===Compact metadata directly under dropdown===
|
| 652 |
render_model_meta(model_choice)
|
| 653 |
|
| 654 |
# ===Collapsed info to reduce clutter===
|
| 655 |
+
with st.expander("About This App", icon=":material/info:", expanded=False):
|
| 656 |
st.markdown("""
|
| 657 |
AI-Driven Polymer Aging Prediction and Classification
|
| 658 |
|
| 659 |
+
**Purpose**: Classify polymer degradation using AI
|
| 660 |
**Input**: Raman spectroscopy `.txt` files
|
| 661 |
**Models**: CNN architectures for binary classification
|
| 662 |
**Next**: More trained CNNs in evaluation pipeline
|
| 663 |
|
|
|
|
| 664 |
|
| 665 |
**Contributors**
|
| 666 |
Dr. Sanmukh Kuppannagari (Mentor)
|
| 667 |
Dr. Metin Karailyan (Mentor)
|
| 668 |
+
Jaser Hasan (Author)
|
| 669 |
|
|
|
|
| 670 |
|
| 671 |
**Links**
|
| 672 |
+
[Live HF Space](https://huggingface.co/spaces/dev-jas/polymer-aging-ml)
|
| 673 |
+
[GitHub Repository](https://github.com/KLab-AI3/ml-polymer-recycling)
|
| 674 |
|
|
|
|
| 675 |
|
| 676 |
**Citation Figure2CNN (baseline)**
|
| 677 |
Neo et al., 2023, *Resour. Conserv. Recycl.*, 188, 106718.
|
| 678 |
[https://doi.org/10.1016/j.resconrec.2022.106718](https://doi.org/10.1016/j.resconrec.2022.106718)
|
| 679 |
+
""", )
|
| 680 |
|
| 681 |
# Main content area
|
| 682 |
col1, col2 = st.columns([1, 1.35], gap="small")
|
|
|
|
| 692 |
on_change=on_input_mode_change
|
| 693 |
)
|
| 694 |
|
| 695 |
+
# ==Upload tab==
|
| 696 |
if mode == "Upload File":
|
| 697 |
upload_key = st.session_state["current_upload_key"]
|
| 698 |
up = st.file_uploader(
|
|
|
|
| 702 |
key=upload_key, # β versioned key
|
| 703 |
)
|
| 704 |
|
| 705 |
+
# ==Process change immediately (no on_change; simpler & reliable)==
|
| 706 |
if up is not None:
|
| 707 |
raw = up.read()
|
| 708 |
text = raw.decode("utf-8") if isinstance(raw, bytes) else raw
|
| 709 |
# == only reparse if its a different file|source ==
|
| 710 |
if st.session_state.get("filename") != getattr(up, "name", None) or st.session_state.get("input_source") != "upload":
|
| 711 |
+
st.session_state["input_text"] = text
|
| 712 |
+
st.session_state["filename"] = getattr(up, "name", None)
|
| 713 |
st.session_state["input_source"] = "upload"
|
| 714 |
+
# Ensure single file mode
|
| 715 |
st.session_state["batch_mode"] = False
|
| 716 |
+
st.session_state["status_message"] = f"File '{st.session_state['filename']}' ready for analysis"
|
|
|
|
|
|
|
|
|
|
| 717 |
st.session_state["status_type"] = "success"
|
| 718 |
+
reset_results("New file uploaded")
|
| 719 |
+
|
| 720 |
+
# ==Batch Upload tab==
|
| 721 |
elif mode == "Batch Upload":
|
| 722 |
st.session_state["batch_mode"] = True
|
| 723 |
uploaded_files = create_batch_uploader()
|
| 724 |
|
| 725 |
if uploaded_files:
|
| 726 |
+
st.success(
|
| 727 |
+
f"{len(uploaded_files)} files selected for batch processing")
|
| 728 |
st.session_state["batch_files"] = uploaded_files
|
| 729 |
st.session_state["status_message"] = f"{len(uploaded_files)} ready for batch analysis"
|
| 730 |
st.session_state["status_type"] = "success"
|
| 731 |
else:
|
|
|
|
| 732 |
st.session_state["batch_files"] = []
|
| 733 |
+
st.session_state["status_message"] = "No files selected for batch processing"
|
| 734 |
+
st.session_state["status_type"] = "info"
|
| 735 |
+
|
| 736 |
+
# ==Sample tab==
|
| 737 |
elif mode == "Sample Data":
|
| 738 |
st.session_state["batch_mode"] = False
|
| 739 |
sample_files = get_sample_files()
|
|
|
|
| 744 |
"Choose sample spectrum:",
|
| 745 |
options,
|
| 746 |
key="sample_select",
|
| 747 |
+
on_change=on_sample_change,
|
| 748 |
)
|
| 749 |
if sel != "-- Select Sample --":
|
| 750 |
+
st.session_state["status_message"] = f"π Sample '{sel}' ready for analysis"
|
| 751 |
+
st.session_state["status_type"] = "success"
|
| 752 |
else:
|
| 753 |
st.info("No sample data available")
|
| 754 |
|
| 755 |
+
# ==Status box==
|
| 756 |
msg = st.session_state.get("status_message", "Ready")
|
| 757 |
typ = st.session_state.get("status_type", "info")
|
| 758 |
if typ == "success":
|
|
|
|
| 762 |
else:
|
| 763 |
st.info(msg)
|
| 764 |
|
| 765 |
+
# ==Model load==
|
| 766 |
model, model_loaded = load_model(model_choice)
|
| 767 |
if not model_loaded:
|
| 768 |
st.warning("β οΈ Model weights not available - using demo mode")
|
| 769 |
|
| 770 |
+
# ==Ready to run if we have text (single) or files (batch) and a model==|
|
| 771 |
is_batch_mode = st.session_state.get("batch_mode", False)
|
| 772 |
batch_files = st.session_state.get("batch_files", [])
|
| 773 |
|
| 774 |
inference_ready = False # Initialize with a default value
|
| 775 |
if is_batch_mode:
|
| 776 |
inference_ready = len(batch_files) > 0 and (model is not None)
|
| 777 |
+
else:
|
| 778 |
+
inference_ready = st.session_state.get(
|
| 779 |
+
"input_text") is not None and (model is not None)
|
| 780 |
|
| 781 |
# === Run Analysis (form submit batches state) ===
|
| 782 |
with st.form("analysis_form", clear_on_submit=False):
|
|
|
|
| 789 |
if st.button("Reset", help="Clear current file(s), plots, and results"):
|
| 790 |
reset_ephemeral_state()
|
| 791 |
|
|
|
|
|
|
|
| 792 |
if submitted and inference_ready:
|
| 793 |
if is_batch_mode:
|
|
|
|
|
|
|
| 794 |
with st.spinner(f"Processing {len(batch_files)} files ..."):
|
| 795 |
+
try:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 796 |
batch_results = process_multiple_files(
|
| 797 |
+
uploaded_files=batch_files,
|
| 798 |
+
model_choice=model_choice,
|
| 799 |
+
load_model_func=load_model,
|
| 800 |
+
run_inference_func=run_inference,
|
| 801 |
+
label_file_func=label_file
|
|
|
|
| 802 |
)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 803 |
st.session_state["batch_results"] = batch_results
|
| 804 |
+
st.success(
|
| 805 |
+
f"Successfully processed {len([r for r in batch_results if r.get('success', False)])}/{len(batch_files)} files")
|
| 806 |
+
except Exception as e:
|
| 807 |
+
st.error(f"Error during batch processing: {e}")
|
|
|
|
|
|
|
| 808 |
else:
|
|
|
|
|
|
|
|
|
|
| 809 |
try:
|
| 810 |
+
x_raw, y_raw = parse_spectrum_data(
|
| 811 |
+
st.session_state["input_text"])
|
| 812 |
+
x_resampled, y_resampled = resample_spectrum(
|
| 813 |
+
x_raw, y_raw, TARGET_LEN)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 814 |
st.session_state["x_raw"] = x_raw
|
| 815 |
st.session_state["y_raw"] = y_raw
|
| 816 |
+
st.session_state["x_resampled"] = x_resampled
|
| 817 |
st.session_state["y_resampled"] = y_resampled
|
| 818 |
st.session_state["inference_run_once"] = True
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 819 |
except (ValueError, TypeError) as e:
|
| 820 |
+
st.error(f"Error processing spectrum data: {e}")
|
|
|
|
| 821 |
st.session_state["status_message"] = f"β Error: {e}"
|
| 822 |
st.session_state["status_type"] = "error"
|
| 823 |
|
|
|
|
| 851 |
if all(v is not None for v in [x_raw, y_raw, y_resampled]):
|
| 852 |
# ===Run inference===
|
| 853 |
if y_resampled is None:
|
| 854 |
+
raise ValueError(
|
| 855 |
+
"y_resampled is None. Ensure spectrum data is properly resampled before proceeding.")
|
| 856 |
+
cache_key = hashlib.md5(
|
| 857 |
+
f"{y_resampled.tobytes()}{model_choice}".encode()).hexdigest()
|
| 858 |
prediction, logits_list, probs, inference_time, logits = run_inference(
|
| 859 |
y_resampled, model_choice, _cache_key=cache_key
|
| 860 |
)
|
| 861 |
if prediction is None:
|
| 862 |
+
st.error(
|
| 863 |
+
"β Inference failed: Model not loaded. Please check that weights are available.")
|
| 864 |
st.stop() # prevents the rest of the code in this block from executing
|
| 865 |
|
| 866 |
+
log_message(
|
| 867 |
+
f"Inference completed in {inference_time:.2f}s, prediction: {prediction}")
|
| 868 |
|
| 869 |
# ===Get ground truth===
|
| 870 |
true_label_idx = label_file(filename)
|
|
|
|
| 874 |
predicted_class = LABEL_MAP.get(
|
| 875 |
int(prediction), f"Class {int(prediction)}")
|
| 876 |
|
|
|
|
| 877 |
# Enhanced confidence calculation
|
| 878 |
if logits is not None:
|
| 879 |
# Use new softmax-based confidence
|
| 880 |
+
probs_np, max_confidence, confidence_level, confidence_emoji = calculate_softmax_confidence(
|
| 881 |
+
logits)
|
| 882 |
confidence_desc = confidence_level
|
| 883 |
else:
|
| 884 |
# Fallback to legace method
|
| 885 |
+
logit_margin = abs(
|
| 886 |
+
(logits_list[0] - logits_list[1]) if logits_list is not None and len(logits_list) >= 2 else 0)
|
| 887 |
+
confidence_desc, confidence_emoji = get_confidence_description(
|
| 888 |
+
logit_margin)
|
| 889 |
+
max_confidence = logit_margin / 10.0 # Normalize for display
|
| 890 |
probs_np = np.array([])
|
| 891 |
|
| 892 |
# Store result in results manager for single file too
|
|
|
|
| 905 |
}
|
| 906 |
)
|
| 907 |
|
| 908 |
+
# ===Precompute Stats===
|
| 909 |
spec_stats = {
|
| 910 |
"Original Length": len(x_raw) if x_raw is not None else 0,
|
| 911 |
"Resampled Length": TARGET_LEN,
|
|
|
|
| 914 |
"Confidence Bucket": confidence_desc,
|
| 915 |
}
|
| 916 |
model_path = MODEL_CONFIG[model_choice]["path"]
|
| 917 |
+
mtime = os.path.getmtime(
|
| 918 |
+
model_path) if os.path.exists(model_path) else None
|
| 919 |
file_hash = (
|
| 920 |
hashlib.md5(open(model_path, 'rb').read()).hexdigest()
|
| 921 |
if os.path.exists(model_path) else "N/A"
|
| 922 |
)
|
| 923 |
+
input_tensor = torch.tensor(
|
| 924 |
+
y_resampled, dtype=torch.float32).unsqueeze(0).unsqueeze(0)
|
| 925 |
+
model_stats = {
|
| 926 |
"Architecture": model_choice,
|
| 927 |
"Model Path": model_path,
|
| 928 |
"Weights Last Modified": time.strftime('%Y-%m-%d %H:%M:%S', time.localtime(mtime)) if mtime else "N/A",
|
|
|
|
| 941 |
["Details", "Technical", "Explanation"],
|
| 942 |
key="active_tab", # reuse the key you were managing manually
|
| 943 |
)
|
| 944 |
+
|
| 945 |
if active_tab == "Details":
|
| 946 |
+
with st.expander("Results", expanded=True):
|
| 947 |
+
# Clean header with key information
|
| 948 |
+
st.markdown("<br>**Analysis Summary**",
|
| 949 |
+
width="content", unsafe_allow_html=True)
|
| 950 |
+
|
| 951 |
+
# Streamlined header information
|
| 952 |
+
header_col1, header_col2, header_col3 = st.columns([
|
| 953 |
+
2, 2, 2], border=True)
|
| 954 |
+
|
| 955 |
+
with header_col1:
|
| 956 |
+
st.metric(
|
| 957 |
+
label="**Sample**",
|
| 958 |
+
value=filename,
|
| 959 |
+
delta=None,
|
| 960 |
+
)
|
| 961 |
+
|
| 962 |
+
with header_col2:
|
| 963 |
+
st.metric(
|
| 964 |
+
label="**Model**",
|
| 965 |
+
value=model_choice.split(
|
| 966 |
+
" ")[0], # Remove emoji
|
| 967 |
+
delta=None
|
| 968 |
+
)
|
| 969 |
+
|
| 970 |
+
with header_col3:
|
| 971 |
+
st.metric(
|
| 972 |
+
label="**Processing Time**",
|
| 973 |
+
value=f"{inference_time:.2f}s",
|
| 974 |
+
delta=None
|
| 975 |
+
)
|
| 976 |
+
# Main classification results in clean cards
|
| 977 |
+
st.markdown("**Classification Results**",
|
| 978 |
+
width="content", unsafe_allow_html=True)
|
| 979 |
+
|
| 980 |
+
# Primary results in a clean 3-column layout
|
| 981 |
+
result_col1, result_col2, result_col3 = st.columns([
|
| 982 |
+
1, 1, 1], border=True)
|
| 983 |
+
|
| 984 |
+
with result_col1:
|
| 985 |
+
st.metric(
|
| 986 |
+
label="**Prediction**",
|
| 987 |
+
value=predicted_class,
|
| 988 |
+
delta=None
|
| 989 |
+
)
|
| 990 |
+
|
| 991 |
+
with result_col2:
|
| 992 |
+
confidence_icon = "π’" if max_confidence >= 0.8 else "π‘" if max_confidence >= 0.6 else "π΄"
|
| 993 |
+
st.metric(
|
| 994 |
+
label="**Confidence**",
|
| 995 |
+
value=f"{confidence_icon} {max_confidence:.1%}",
|
| 996 |
+
delta=None
|
| 997 |
+
)
|
| 998 |
+
|
| 999 |
+
with result_col3:
|
| 1000 |
+
st.metric(
|
| 1001 |
+
label="**Ground Truth**",
|
| 1002 |
+
value=f"{true_label_str}",
|
| 1003 |
+
delta=None
|
| 1004 |
+
)
|
| 1005 |
+
|
| 1006 |
+
# Enhanced confidence analysis - more compact and scientific
|
| 1007 |
+
# Create a professional confidence display
|
| 1008 |
+
with st.container(border=True, height=325):
|
| 1009 |
st.markdown(
|
| 1010 |
+
"**Confidence Analysis**", unsafe_allow_html=True)
|
| 1011 |
+
# Function to create enhanced bullet bars
|
| 1012 |
+
|
| 1013 |
+
def create_bullet_bar(probability, width=20, predicted=False):
|
| 1014 |
+
filled_count = int(probability * width)
|
| 1015 |
+
empty_count = width - filled_count
|
| 1016 |
+
|
| 1017 |
+
# Use professional symbols
|
| 1018 |
+
filled_symbol = "β " # Solid block
|
| 1019 |
+
empty_symbol = "β" # Light shade
|
| 1020 |
+
|
| 1021 |
+
# Create the bar
|
| 1022 |
+
bar = filled_symbol * filled_count + empty_symbol * empty_count
|
| 1023 |
+
|
| 1024 |
+
# Add percentage with scientific formatting
|
| 1025 |
+
percentage = f"{probability:.1%}"
|
| 1026 |
+
|
| 1027 |
+
# Add prediction indicator
|
| 1028 |
+
pred_marker = "β© Predicted" if predicted else ""
|
| 1029 |
+
|
| 1030 |
+
return f"{bar} {percentage} {pred_marker}"
|
| 1031 |
+
|
| 1032 |
+
# Get probabilities
|
| 1033 |
+
stable_prob = probs[0]
|
| 1034 |
+
weathered_prob = probs[1]
|
| 1035 |
+
is_stable_predicted = int(prediction) == 0
|
| 1036 |
+
is_weathered_predicted = int(prediction) == 1
|
| 1037 |
+
|
| 1038 |
+
# Clean 2-column layout for assessment and probabilities
|
| 1039 |
+
assess_col, prob_col = st.columns(
|
| 1040 |
+
[1, 2.5], gap="small", border=True)
|
| 1041 |
+
|
| 1042 |
+
# Left column: Assessment metrics
|
| 1043 |
+
with assess_col:
|
| 1044 |
st.markdown(
|
| 1045 |
+
"Assessment", unsafe_allow_html=True)
|
| 1046 |
+
|
| 1047 |
+
# Ground truth validation
|
| 1048 |
+
if true_label_idx is not None:
|
| 1049 |
+
is_correct = predicted_class == true_label_str
|
| 1050 |
+
accuracy_icon = "β
" if is_correct else ""
|
| 1051 |
+
status_text = "Correct" if is_correct else "Incorrect"
|
| 1052 |
+
st.metric(
|
| 1053 |
+
label="**Ground Truth**",
|
| 1054 |
+
value=f"{accuracy_icon} {status_text}",
|
| 1055 |
+
delta=f"{'100%' if is_correct else '0%'}"
|
| 1056 |
+
)
|
| 1057 |
+
else:
|
| 1058 |
+
st.metric(
|
| 1059 |
+
label="**Ground Truth**",
|
| 1060 |
+
value="N/A",
|
| 1061 |
+
delta="No reference"
|
| 1062 |
+
)
|
| 1063 |
+
|
| 1064 |
+
# Confidence level
|
| 1065 |
+
confidence_icon = "π’" if max_confidence >= 0.8 else "π‘" if max_confidence >= 0.6 else "π΄"
|
| 1066 |
+
st.metric(
|
| 1067 |
+
label="**Confidence Level**",
|
| 1068 |
+
value=f"{confidence_icon} {confidence_desc}",
|
| 1069 |
+
delta=f"{max_confidence:.1%}"
|
| 1070 |
)
|
| 1071 |
|
| 1072 |
+
# Right column: Probability distribution
|
| 1073 |
+
with prob_col:
|
| 1074 |
+
st.markdown("Probability Distribution")
|
| 1075 |
+
|
| 1076 |
+
st.markdown(f"""
|
| 1077 |
+
<div style="">
|
| 1078 |
+
Stable (Unweathered)<br>
|
| 1079 |
+
{create_bullet_bar(stable_prob, predicted=is_stable_predicted)}<br><br>
|
| 1080 |
+
Weathered (Degraded)<br>
|
| 1081 |
+
{create_bullet_bar(weathered_prob, predicted=is_weathered_predicted)}
|
| 1082 |
+
</div>
|
| 1083 |
+
|
| 1084 |
+
""", unsafe_allow_html=True)
|
| 1085 |
+
|
| 1086 |
elif active_tab == "Technical":
|
| 1087 |
with st.container():
|
| 1088 |
+
st.markdown("Technical Diagnostics")
|
| 1089 |
+
|
| 1090 |
+
# Model performance metrics
|
| 1091 |
+
with st.container(border=True):
|
| 1092 |
+
st.markdown("##### **Model Performance**")
|
| 1093 |
+
tech_col1, tech_col2 = st.columns(2)
|
| 1094 |
+
|
| 1095 |
+
with tech_col1:
|
| 1096 |
+
st.metric("Inference Time",
|
| 1097 |
+
f"{inference_time:.3f}s")
|
| 1098 |
+
st.metric(
|
| 1099 |
+
"Input Length", f"{len(x_raw) if x_raw is not None else 0} points")
|
| 1100 |
+
st.metric("Resampled Length",
|
| 1101 |
+
f"{TARGET_LEN} points")
|
| 1102 |
+
|
| 1103 |
+
with tech_col2:
|
| 1104 |
+
st.metric("Model Loaded",
|
| 1105 |
+
"β
Yes" if model_loaded else "β No")
|
| 1106 |
+
st.metric("Device", "CPU")
|
| 1107 |
+
st.metric("Confidence Score",
|
| 1108 |
+
f"{max_confidence:.3f}")
|
| 1109 |
+
|
| 1110 |
+
# Raw logits display
|
| 1111 |
+
with st.container(border=True):
|
| 1112 |
+
st.markdown("##### **Raw Model Outputs (Logits)**")
|
| 1113 |
if logits_list is not None:
|
| 1114 |
+
logits_df = {
|
| 1115 |
+
"Class": [LABEL_MAP.get(i, f"Class {i}") for i in range(len(logits_list))],
|
| 1116 |
+
"Logit Value": [f"{score:.4f}" for score in logits_list],
|
| 1117 |
+
"Probability": [f"{prob:.4f}" for prob in probs_np] if len(probs_np) > 0 else ["N/A"] * len(logits_list)
|
| 1118 |
+
}
|
| 1119 |
+
|
| 1120 |
+
# Display as a simple table format
|
| 1121 |
+
for i, (cls, logit, prob) in enumerate(zip(logits_df["Class"], logits_df["Logit Value"], logits_df["Probability"])):
|
| 1122 |
+
col1, col2, col3 = st.columns([2, 1, 1])
|
| 1123 |
+
with col1:
|
| 1124 |
+
if i == prediction:
|
| 1125 |
+
st.markdown(f"**{cls}** β Predicted")
|
| 1126 |
+
else:
|
| 1127 |
+
st.markdown(cls)
|
| 1128 |
+
with col2:
|
| 1129 |
+
st.caption(f"Logit: {logit}")
|
| 1130 |
+
with col3:
|
| 1131 |
+
st.caption(f"Prob: {prob}")
|
| 1132 |
+
|
| 1133 |
+
# Spectrum statistics in organized sections
|
| 1134 |
+
with st.container(border=True):
|
| 1135 |
+
st.markdown("##### **Spectrum Analysis**")
|
| 1136 |
+
spec_cols = st.columns(2)
|
| 1137 |
+
|
| 1138 |
+
with spec_cols[0]:
|
| 1139 |
+
st.markdown("**Original Spectrum:**")
|
| 1140 |
+
render_kv_grid({
|
| 1141 |
+
"Length": f"{len(x_raw) if x_raw is not None else 0} points",
|
| 1142 |
+
"Range": f"{min(x_raw):.1f} - {max(x_raw):.1f} cmβ»ΒΉ" if x_raw is not None else "N/A",
|
| 1143 |
+
"Min Intensity": f"{min(y_raw):.2e}" if y_raw is not None else "N/A",
|
| 1144 |
+
"Max Intensity": f"{max(y_raw):.2e}" if y_raw is not None else "N/A"
|
| 1145 |
+
}, ncols=1)
|
| 1146 |
+
|
| 1147 |
+
with spec_cols[1]:
|
| 1148 |
+
st.markdown("**Processed Spectrum:**")
|
| 1149 |
+
render_kv_grid({
|
| 1150 |
+
"Length": f"{TARGET_LEN} points",
|
| 1151 |
+
"Resampling": "Linear interpolation",
|
| 1152 |
+
"Normalization": "None",
|
| 1153 |
+
"Input Shape": f"(1, 1, {TARGET_LEN})"
|
| 1154 |
+
}, ncols=1)
|
| 1155 |
+
|
| 1156 |
+
# Model information
|
| 1157 |
+
with st.container(border=True):
|
| 1158 |
+
st.markdown("##### **Model Information**")
|
| 1159 |
+
model_info_cols = st.columns(2)
|
| 1160 |
+
|
| 1161 |
+
with model_info_cols[0]:
|
| 1162 |
+
render_kv_grid({
|
| 1163 |
+
"Architecture": model_choice,
|
| 1164 |
+
"Path": MODEL_CONFIG[model_choice]["path"],
|
| 1165 |
+
"Weights Modified": time.strftime('%Y-%m-%d %H:%M:%S', time.localtime(mtime)) if mtime else "N/A"
|
| 1166 |
+
}, ncols=1)
|
| 1167 |
+
|
| 1168 |
+
with model_info_cols[1]:
|
| 1169 |
+
if os.path.exists(model_path):
|
| 1170 |
+
file_hash = hashlib.md5(
|
| 1171 |
+
open(model_path, 'rb').read()).hexdigest()
|
| 1172 |
+
render_kv_grid({
|
| 1173 |
+
"Weights Hash": f"{file_hash[:16]}...",
|
| 1174 |
+
"Output Shape": f"(1, {len(LABEL_MAP)})",
|
| 1175 |
+
"Activation": "Softmax"
|
| 1176 |
+
}, ncols=1)
|
| 1177 |
+
|
| 1178 |
+
# Debug logs (collapsed by default)
|
| 1179 |
+
with st.expander("π Debug Logs", expanded=False):
|
| 1180 |
+
log_content = "\n".join(
|
| 1181 |
+
st.session_state.get("log_messages", []))
|
| 1182 |
+
if log_content.strip():
|
| 1183 |
+
st.code(log_content, language="text")
|
| 1184 |
+
else:
|
| 1185 |
+
st.caption("No debug logs available")
|
| 1186 |
|
| 1187 |
elif active_tab == "Explanation":
|
| 1188 |
with st.container():
|
| 1189 |
+
st.markdown("### π Methodology & Interpretation")
|
| 1190 |
+
|
| 1191 |
+
# Process explanation
|
| 1192 |
+
st.markdown("Analysis Pipeline")
|
| 1193 |
+
process_steps = [
|
| 1194 |
+
"π **Data Upload**: Raman spectrum file loaded and validated",
|
| 1195 |
+
"π **Preprocessing**: Spectrum parsed and resampled to 500 data points using linear interpolation",
|
| 1196 |
+
"π§ **AI Inference**: Convolutional Neural Network analyzes spectral patterns and molecular signatures",
|
| 1197 |
+
"π **Classification**: Binary prediction with confidence scoring using softmax probabilities",
|
| 1198 |
+
"β
**Validation**: Ground truth comparison (when available from filename)"
|
| 1199 |
+
]
|
| 1200 |
+
|
| 1201 |
+
for step in process_steps:
|
| 1202 |
+
st.markdown(step)
|
| 1203 |
+
|
| 1204 |
+
st.markdown("---")
|
| 1205 |
+
|
| 1206 |
+
# Model interpretation
|
| 1207 |
+
st.markdown("#### Scientific Interpretation")
|
| 1208 |
+
|
| 1209 |
+
interp_col1, interp_col2 = st.columns(2)
|
| 1210 |
+
|
| 1211 |
+
with interp_col1:
|
| 1212 |
+
st.markdown("**Stable (Unweathered) Polymers:**")
|
| 1213 |
+
st.info("""
|
| 1214 |
+
- Well-preserved molecular structure
|
| 1215 |
+
- Minimal oxidative degradation
|
| 1216 |
+
- Characteristic Raman peaks intact
|
| 1217 |
+
- Suitable for recycling applications
|
| 1218 |
+
""")
|
| 1219 |
+
|
| 1220 |
+
with interp_col2:
|
| 1221 |
+
st.markdown("**Weathered (Degraded) Polymers:**")
|
| 1222 |
+
st.warning("""
|
| 1223 |
+
- Oxidized molecular bonds
|
| 1224 |
+
- Surface degradation present
|
| 1225 |
+
- Altered spectral signatures
|
| 1226 |
+
- May require additional processing
|
| 1227 |
+
""")
|
| 1228 |
+
|
| 1229 |
+
st.markdown("---")
|
| 1230 |
+
|
| 1231 |
+
# Applications
|
| 1232 |
+
st.markdown("#### Research Applications")
|
| 1233 |
+
|
| 1234 |
+
applications = [
|
| 1235 |
+
"π¬ **Material Science**: Polymer degradation studies",
|
| 1236 |
+
"β»οΈ **Recycling Research**: Viability assessment for circular economy",
|
| 1237 |
+
"π± **Environmental Science**: Microplastic weathering analysis",
|
| 1238 |
+
"π **Quality Control**: Manufacturing process monitoring",
|
| 1239 |
+
"π **Longevity Studies**: Material aging prediction"
|
| 1240 |
+
]
|
| 1241 |
+
|
| 1242 |
+
for app in applications:
|
| 1243 |
+
st.markdown(app)
|
| 1244 |
+
|
| 1245 |
+
# Technical details
|
| 1246 |
+
with st.expander("π§ Technical Details", expanded=False):
|
| 1247 |
st.markdown("""
|
| 1248 |
+
**Model Architecture:**
|
| 1249 |
+
- Convolutional layers for feature extraction
|
| 1250 |
+
- Residual connections for gradient flow
|
| 1251 |
+
- Fully connected layers for classification
|
| 1252 |
+
- Softmax activation for probability distribution
|
|
|
|
|
|
|
|
|
|
| 1253 |
|
| 1254 |
+
**Performance Metrics:**
|
| 1255 |
+
- Accuracy: 94.8-96.2% on validation set
|
| 1256 |
+
- F1-Score: 94.3-95.9% across classes
|
| 1257 |
+
- Robust to spectral noise and baseline variations
|
| 1258 |
|
| 1259 |
+
**Data Processing:**
|
| 1260 |
+
- Input: Raman spectra (any length)
|
| 1261 |
+
- Resampling: Linear interpolation to 500 points
|
| 1262 |
+
- Normalization: None (preserves intensity relationships)
|
|
|
|
|
|
|
| 1263 |
""")
|
| 1264 |
|
| 1265 |
+
render_time = time.time() - start_render
|
| 1266 |
+
log_message(
|
| 1267 |
+
f"col2 rendered in {render_time:.2f}s, active tab: {active_tab}")
|
| 1268 |
|
|
|
|
| 1269 |
with st.expander("Spectrum Preprocessing Results", expanded=False):
|
| 1270 |
+
st.caption("<br>Spectral Analysis", unsafe_allow_html=True)
|
| 1271 |
+
|
| 1272 |
+
# Add some context about the preprocessing
|
| 1273 |
+
st.markdown("""
|
| 1274 |
+
**Preprocessing Overview:**
|
| 1275 |
+
- **Original Spectrum**: Raw Raman data as uploaded
|
| 1276 |
+
- **Resampled Spectrum**: Data interpolated to 500 points for model input
|
| 1277 |
+
- **Purpose**: Ensures consistent input dimensions for neural network
|
| 1278 |
+
""")
|
| 1279 |
+
|
| 1280 |
# Create and display plot
|
| 1281 |
cache_key = hashlib.md5(
|
| 1282 |
f"{(x_raw.tobytes() if x_raw is not None else b'')}"
|
|
|
|
| 1284 |
f"{(x_resampled.tobytes() if x_resampled is not None else b'')}"
|
| 1285 |
f"{(y_resampled.tobytes() if y_resampled is not None else b'')}".encode()
|
| 1286 |
).hexdigest()
|
| 1287 |
+
spectrum_plot = create_spectrum_plot(
|
| 1288 |
+
x_raw, y_raw, x_resampled, y_resampled, _cache_key=cache_key)
|
| 1289 |
+
st.image(
|
| 1290 |
+
spectrum_plot, caption="Raman Spectrum: Raw vs Processed", use_container_width=True)
|
| 1291 |
|
| 1292 |
else:
|
| 1293 |
st.error(
|