""" AI-Driven Polymer Aging Prediction and Classification Hugging Face Spaces Deployment This is an adapted version of the Streamlit app optimized for Hugging Face Spaces deployment. It maintains all the functionality of the original app while being self-contained and cloud-ready. """ import os import sys from pathlib import Path # Ensure 'utils' directory is in the Python path utils_path = Path(__file__).resolve().parent / "utils" if utils_path.is_dir() and str(utils_path) not in sys.path: sys.path.append(str(utils_path)) import streamlit as st import torch import numpy as np import matplotlib matplotlib.use("Agg") # ensure headless rendering in Spaces import matplotlib.pyplot as plt from PIL import Image import io from pathlib import Path import time import gc from io import StringIO # Import local modules from models.figure2_cnn import Figure2CNN from models.resnet_cnn import ResNet1D # Prefer canonical script; fallback to local utils for HF hard-copy scenario try: from scripts.preprocess_dataset import resample_spectrum except ImportError: from utils.preprocessing import resample_spectrum # Configuration st.set_page_config( page_title="ML Polymer Classification", page_icon="๐Ÿ”ฌ", layout="wide", initial_sidebar_state="expanded" ) # Constants TARGET_LEN = 500 SAMPLE_DATA_DIR = "sample_data" # Prefer env var, else 'model_weights' if present; else canonical 'outputs' MODEL_WEIGHTS_DIR = ( os.getenv("WEIGHTS_DIR") or ("model_weights" if os.path.isdir("model_weights") else "outputs") ) # Model configuration MODEL_CONFIG = { "Figure2CNN (Baseline)": { "class": Figure2CNN, "path": f"{MODEL_WEIGHTS_DIR}/figure2_model.pth", "emoji": "๐Ÿ”ฌ", "description": "Baseline CNN with standard filters", "accuracy": "94.80%", "f1": "94.30%" }, "ResNet1D (Advanced)": { "class": ResNet1D, "path": f"{MODEL_WEIGHTS_DIR}/resnet_model.pth", "emoji": "๐Ÿง ", "description": "Residual CNN with deeper feature learning", "accuracy": "96.20%", "f1": "95.90%" } } # Label mapping LABEL_MAP = {0: "Stable (Unweathered)", 1: "Weathered (Degraded)"} # Utility functions def label_file(filename: str) -> int: """Extract label from filename based on naming convention""" name = Path(filename).name.lower() if name.startswith("sta"): return 0 elif name.startswith("wea"): return 1 else: # Return None for unknown patterns instead of raising error return -1 # Default value for unknown patterns @st.cache_resource def load_model(model_name): """Load and cache the specified model with error handling""" try: config = MODEL_CONFIG[model_name] model_class = config["class"] model_path = config["path"] # Initialize model model = model_class(input_length=TARGET_LEN) # Check if model file exists if not os.path.exists(model_path): st.warning(f"โš ๏ธ Model weights not found: {model_path}") st.info("Using randomly initialized model for demonstration purposes.") return model, False # Load weights state_dict = torch.load(model_path, map_location="cpu") model.load_state_dict(state_dict, strict=False) model.eval() return model, True except Exception as e: st.error(f"โŒ Error loading model {model_name}: {str(e)}") return None, False def cleanup_memory(): """Clean up memory after inference""" gc.collect() if torch.cuda.is_available(): torch.cuda.empty_cache() @st.cache_data def get_sample_files(): """Get list of sample files if available""" sample_dir = Path(SAMPLE_DATA_DIR) if sample_dir.exists(): return sorted(list(sample_dir.glob("*.txt"))) return [] def parse_spectrum_data(raw_text): """Parse spectrum data from text with robust error handling""" x_vals, y_vals = [], [] for line in raw_text.splitlines(): line = line.strip() if not line or line.startswith('#'): # Skip empty lines and comments continue try: # Handle different separators parts = line.replace(",", " ").split() numbers = [p for p in parts if p.replace('.', '', 1).replace('-', '', 1).replace('+', '', 1).isdigit()] if len(numbers) >= 2: x, y = float(numbers[0]), float(numbers[1]) x_vals.append(x) y_vals.append(y) except ValueError: # Skip problematic lines but don't fail completely continue if len(x_vals) < 10: # Minimum reasonable spectrum length raise ValueError(f"Insufficient data points: {len(x_vals)}. Need at least 10 points.") return np.array(x_vals), np.array(y_vals) def create_spectrum_plot(x_raw, y_raw, y_resampled): """Create spectrum visualization plot""" fig, ax = plt.subplots(1, 2, figsize=(12, 4), dpi=100) # Raw spectrum ax[0].plot(x_raw, y_raw, label="Raw", color="dimgray", linewidth=1) ax[0].set_title("Raw Input Spectrum") ax[0].set_xlabel("Wavenumber (cmโปยน)") ax[0].set_ylabel("Intensity") ax[0].grid(True, alpha=0.3) ax[0].legend() # Resampled spectrum x_resampled = np.linspace(min(x_raw), max(x_raw), TARGET_LEN) ax[1].plot(x_resampled, y_resampled, label="Resampled", color="steelblue", linewidth=1) ax[1].set_title(f"Resampled ({TARGET_LEN} points)") ax[1].set_xlabel("Wavenumber (cmโปยน)") ax[1].set_ylabel("Intensity") ax[1].grid(True, alpha=0.3) ax[1].legend() plt.tight_layout() # Convert to image buf = io.BytesIO() plt.savefig(buf, format='png', bbox_inches='tight', dpi=100) buf.seek(0) plt.close(fig) # Prevent memory leaks return Image.open(buf) def get_confidence_description(logit_margin): """Get human-readable confidence description""" if logit_margin > 1000: return "VERY HIGH", "๐ŸŸข" elif logit_margin > 250: return "HIGH", "๐ŸŸก" elif logit_margin > 100: return "MODERATE", "๐ŸŸ " else: return "LOW", "๐Ÿ”ด" # Initialize session state def init_session_state(): """Initialize session state variables""" defaults = { 'status_message': "Ready to analyze polymer spectra ๐Ÿ”ฌ", 'status_type': "info", 'uploaded_file': None, 'filename': None, 'inference_run_once': False, 'x_raw': None, 'y_raw': None, 'y_resampled': None } for key, default_value in defaults.items(): if key not in st.session_state: st.session_state[key] = default_value # Main app def main(): init_session_state() # Header st.title("๐Ÿ”ฌ AI-Driven Polymer Classification") st.markdown("**Predict polymer degradation states using Raman spectroscopy and deep learning**") # Sidebar with st.sidebar: st.header("โ„น๏ธ About This App") st.markdown(""" **AIRE 2025 Internship Project** AI-Driven Polymer Aging Prediction and Classification ๐ŸŽฏ **Purpose**: Classify polymer degradation using AI ๐Ÿ“Š **Input**: Raman spectroscopy data ๐Ÿง  **Models**: CNN architectures for binary classification **Team**: - **Mentor**: Dr. Sanmukh Kuppannagari - **Mentor**: Dr. Metin Karailyan - **Author**: Jaser Hasan ๐Ÿ”— [GitHub Repository](https://github.com/KLab-AI3/ml-polymer-recycling) """) st.markdown("---") # Model selection st.subheader("๐Ÿง  Model Selection") model_labels = [f"{MODEL_CONFIG[name]['emoji']} {name}" for name in MODEL_CONFIG.keys()] selected_label = st.selectbox("Choose AI model:", model_labels) model_choice = selected_label.split(" ", 1)[1] # Model info config = MODEL_CONFIG[model_choice] st.markdown(f""" **๐Ÿ“ˆ {config['emoji']} Model Details** *{config['description']}* - **Accuracy**: `{config['accuracy']}` - **F1 Score**: `{config['f1']}` """) # Main content area col1, col2 = st.columns([1, 1.5], gap="large") with col1: st.subheader("๐Ÿ“ Data Input") # File upload tabs tab1, tab2 = st.tabs(["๐Ÿ“ค Upload File", "๐Ÿงช Sample Data"]) uploaded_file = None with tab1: uploaded_file = st.file_uploader( "Upload Raman spectrum (.txt)", type="txt", help="Upload a text file with wavenumber and intensity columns" ) if uploaded_file: st.success(f"โœ… Loaded: {uploaded_file.name}") with tab2: sample_files = get_sample_files() if sample_files: sample_options = ["-- Select Sample --"] + [f.name for f in sample_files] selected_sample = st.selectbox("Choose sample spectrum:", sample_options) if selected_sample != "-- Select Sample --": selected_path = Path(SAMPLE_DATA_DIR) / selected_sample try: with open(selected_path, "r", encoding="utf-8") as f: file_contents = f.read() uploaded_file = StringIO(file_contents) uploaded_file.name = selected_sample st.success(f"โœ… Loaded sample: {selected_sample}") except Exception as e: st.error(f"Error loading sample: {e}") else: st.info("No sample data available") # Update session state if uploaded_file is not None: st.session_state['uploaded_file'] = uploaded_file st.session_state['filename'] = uploaded_file.name st.session_state['status_message'] = f"๐Ÿ“ File '{uploaded_file.name}' ready for analysis" st.session_state['status_type'] = "success" # Status display st.subheader("๐Ÿšฆ Status") status_msg = st.session_state.get("status_message", "Ready") status_type = st.session_state.get("status_type", "info") if status_type == "success": st.success(status_msg) elif status_type == "error": st.error(status_msg) else: st.info(status_msg) # Load model model, model_loaded = load_model(model_choice) # Inference button inference_ready = ( 'uploaded_file' in st.session_state and st.session_state['uploaded_file'] is not None and model is not None ) if not model_loaded: st.warning("โš ๏ธ Model weights not available - using demo mode") if st.button("โ–ถ๏ธ Run Analysis", disabled=not inference_ready, type="primary"): if inference_ready: try: # Get file data uploaded_file = st.session_state['uploaded_file'] filename = st.session_state['filename'] # Read file content uploaded_file.seek(0) raw_data = uploaded_file.read() raw_text = raw_data.decode("utf-8") if isinstance(raw_data, bytes) else raw_data # Parse spectrum with st.spinner("Parsing spectrum data..."): x_raw, y_raw = parse_spectrum_data(raw_text) # Resample spectrum with st.spinner("Resampling spectrum..."): y_resampled = resample_spectrum(x_raw, y_raw, TARGET_LEN) # Store in session state st.session_state['x_raw'] = x_raw st.session_state['y_raw'] = y_raw st.session_state['y_resampled'] = y_resampled st.session_state['inference_run_once'] = True st.session_state['status_message'] = f"๐Ÿ” Analysis completed for: {filename}" st.session_state['status_type'] = "success" st.rerun() except Exception as e: st.error(f"โŒ Analysis failed: {str(e)}") st.session_state['status_message'] = f"โŒ Error: {str(e)}" st.session_state['status_type'] = "error" # Results column with col2: if st.session_state.get("inference_run_once", False): st.subheader("๐Ÿ“Š Analysis Results") # Get data from session state x_raw = st.session_state.get('x_raw') y_raw = st.session_state.get('y_raw') y_resampled = st.session_state.get('y_resampled') filename = st.session_state.get('filename', 'Unknown') if all(v is not None for v in [x_raw, y_raw, y_resampled]): # Create and display plot try: spectrum_plot = create_spectrum_plot(x_raw, y_raw, y_resampled) st.image(spectrum_plot, caption="Spectrum Preprocessing Results", use_column_width=True) except Exception as e: st.warning(f"Could not generate plot: {e}") # Run inference try: with st.spinner("Running AI inference..."): start_time = time.time() # Prepare input tensor input_tensor = torch.tensor(y_resampled, dtype=torch.float32).unsqueeze(0).unsqueeze(0) # Run inference model.eval() with torch.no_grad(): if model is None: raise ValueError("Model is not loaded. Please check the model configuration or weights.") logits = model(input_tensor) prediction = torch.argmax(logits, dim=1).item() logits_list = logits.detach().numpy().tolist()[0] inference_time = time.time() - start_time # Clean up memory cleanup_memory() # Get ground truth if available true_label_idx = label_file(filename) true_label_str = LABEL_MAP.get(true_label_idx, "Unknown") if true_label_idx is not None else "Unknown" # Get prediction predicted_class = LABEL_MAP.get(int(prediction), f"Class {int(prediction)}") # Calculate confidence metrics logit_margin = abs(logits_list[0] - logits_list[1]) if len(logits_list) >= 2 else 0 confidence_desc, confidence_emoji = get_confidence_description(logit_margin) # Display results st.markdown("### ๐ŸŽฏ Prediction Results") # Main prediction st.markdown(f""" **๐Ÿ”ฌ Sample**: `{filename}` **๐Ÿง  Model**: `{model_choice}` **โฑ๏ธ Processing Time**: `{inference_time:.2f}s` """) # Prediction box if predicted_class == "Stable (Unweathered)": st.success(f"๐ŸŸข **Prediction**: {predicted_class}") else: st.warning(f"๐ŸŸก **Prediction**: {predicted_class}") # Confidence st.markdown(f"**{confidence_emoji} Confidence**: {confidence_desc} (margin: {logit_margin:.1f})") # Ground truth comparison if true_label_idx is not None: if predicted_class == true_label_str: st.success(f"โœ… **Ground Truth**: {true_label_str} - **Correct!**") else: st.error(f"โŒ **Ground Truth**: {true_label_str} - **Incorrect**") else: st.info("โ„น๏ธ **Ground Truth**: Unknown (filename doesn't follow naming convention)") # Detailed results tabs tab1, tab2, tab3 = st.tabs(["๐Ÿ“Š Details", "๐Ÿ”ฌ Technical", "๐Ÿ“˜ Explanation"]) with tab1: st.markdown("**Model Output (Logits)**") for i, score in enumerate(logits_list): label = LABEL_MAP.get(i, f"Class {i}") st.metric(label, f"{score:.2f}") st.markdown("**Spectrum Statistics**") st.json({ "Original Length": len(x_raw), "Resampled Length": TARGET_LEN, "Wavenumber Range": f"{min(x_raw):.1f} - {max(x_raw):.1f} cmโปยน", "Intensity Range": f"{min(y_raw):.1f} - {max(y_raw):.1f}", "Model Confidence": confidence_desc }) with tab2: st.markdown("**Technical Information**") st.json({ "Model Architecture": model_choice, "Input Shape": list(input_tensor.shape), "Output Shape": list(logits.shape), "Inference Time": f"{inference_time:.3f}s", "Device": "CPU", "Model Loaded": model_loaded }) if not model_loaded: st.warning("โš ๏ธ Demo mode: Using randomly initialized weights") with tab3: st.markdown(""" **๐Ÿ” Analysis Process** 1. **Data Upload**: Raman spectrum file loaded 2. **Preprocessing**: Data parsed and resampled to 500 points 3. **AI Inference**: CNN model analyzes spectral patterns 4. **Classification**: Binary prediction with confidence scores **๐Ÿง  Model Interpretation** The AI model identifies spectral features indicative of: - **Stable polymers**: Well-preserved molecular structure - **Weathered polymers**: Degraded/oxidized molecular bonds **๐ŸŽฏ Applications** - Material longevity assessment - Recycling viability evaluation - Quality control in manufacturing - Environmental impact studies """) except Exception as e: st.error(f"โŒ Inference failed: {str(e)}") else: st.error("โŒ Missing spectrum data. Please upload a file and run analysis.") else: # Welcome message st.markdown(""" ### ๐Ÿ‘‹ Welcome to AI Polymer Classification **Get started by:** 1. ๐Ÿง  Select an AI model in the sidebar 2. ๐Ÿ“ Upload a Raman spectrum file or choose a sample 3. โ–ถ๏ธ Click "Run Analysis" to get predictions **Supported formats:** - Text files (.txt) with wavenumber and intensity columns - Space or comma-separated values - Any length (automatically resampled to 500 points) **Example applications:** - ๐Ÿ”ฌ Research on polymer degradation - โ™ป๏ธ Recycling feasibility assessment - ๐ŸŒฑ Sustainability impact studies - ๐Ÿญ Quality control in manufacturing """) # Run the application main()