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<meta name="viewport" content="width=device-width, initial-scale=1.0, user-scalable=yes">
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<meta name="author" content="Philipp Pelz">
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<meta name="dcterms.date" content="2026-07-05">
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<meta name="dcterms.date" content="2026-07-11">
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<meta name="keywords" content="Machine Learning, Materials Science, Materials Processing, Materials Characterization, Deep Learning, Microstructure Analysis, Process Optimization">
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<title>Machine Learning in Materials Processing &amp; Characterization</title>
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">
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<meta name="citation_keywords" content="Machine Learning,Materials Science,Materials Processing,Materials Characterization,Deep Learning,Microstructure Analysis,Process Optimization">
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<meta name="citation_author" content="Philipp Pelz">
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<meta name="citation_publication_date" content="2026-07-05">
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<meta name="citation_cover_date" content="2026-07-05">
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<meta name="citation_publication_date" content="2026-07-11">
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<meta name="citation_cover_date" content="2026-07-11">
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<meta name="citation_year" content="2026">
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<meta name="citation_online_date" content="2026-07-05">
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<meta name="citation_online_date" content="2026-07-11">
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<meta name="citation_language" content="en">
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<meta name="citation_reference" content="citation_title=Strategies for the development of volcanic hazard maps in monogenetic volcanic fields: The example of La Palma (Canary Islands);,citation_author=José Marrero;,citation_author=Alicia García;,citation_author=Manuel Berrocoso;,citation_author=Ángeles Llinares;,citation_author=Antonio Rodríguez-Losada;,citation_author=R. Ortiz;,citation_publication_date=2019-07;,citation_cover_date=2019-07;,citation_year=2019;,citation_doi=10.1186/s13617-019-0085-5;,citation_volume=8;,citation_journal_title=Journal of Applied Volcanology;">
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<meta name="citation_reference" content="citation_title=Materials data science: Introduction to data mining, machine learning, and data-driven predictions for materials science and engineering;,citation_author=Stefan Sandfeld;,citation_publication_date=2024;,citation_cover_date=2024;,citation_year=2024;">
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<div>
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<div class="quarto-title-meta-heading">Published</div>
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<div class="quarto-title-meta-contents">
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<p class="date">July 5, 2026</p>
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<p class="date">July 11, 2026</p>
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</div>
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</div>
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Compare classical features vs simple NN-based features for microstructure tasks.</p>
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<hr>
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</section>
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<section id="week-5-neural-networks-for-microstructure-images" class="level4" data-number="1.3.2.2">
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<h4 data-number="1.3.2.2" class="anchored" data-anchor-id="week-5-neural-networks-for-microstructure-images"><span class="header-section-number">1.3.2.2</span> Week 5 – Neural networks for microstructure images</h4>
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<section id="week-5-unsupervised-learning-clustering-autoencoders" class="level4" data-number="1.3.2.2">
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<h4 data-number="1.3.2.2" class="anchored" data-anchor-id="week-5-unsupervised-learning-clustering-autoencoders"><span class="header-section-number">1.3.2.2</span> Week 5 – Unsupervised learning: clustering &amp; autoencoders</h4>
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<p><em>Lecture: Tuesday, 12.05.2026, 14:15-15:45 | Exercise: Thursday, 14.05.2026, 16:15-17:45 (cancelled - Himmelfahrt)</em></p>
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<p><strong>Slides:</strong> <a href="https://pelzlab.science/public_presentations/ml_for_characterization_and_processing/unit05_unsupervised_learning/01_intro.html">Open</a></p>
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<ul>
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<li>CNN intuition: filters as structure detectors.</li>
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<li>Example tasks: phase segmentation, defect detection, porosity identification.</li>
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<li>Overfitting risks with small datasets.</li>
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<li>Clustering materials data without labels: k-means and Gaussian mixtures.</li>
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<li>CNN embeddings as unsupervised feature spaces for phase discovery.</li>
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<li>Autoencoders for compression, denoising, and anomaly detection.</li>
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</ul>
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<p><strong>Summary:</strong></p>
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<ul>
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<li><strong>Convolutional Neural Networks (CNNs)</strong> for materials characterization</li>
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<li>Hierarchical structure detectors: edges → textures → phase morphologies</li>
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<li>Filters and pooling; parameter efficiency vs.&nbsp;MLPs</li>
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<li>Case studies: phase segmentation, defect detection</li>
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<li>Practical challenges: high-resolution, noisy micrographs</li>
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<li><strong>K-means and GMM</strong> for discovering structure in descriptors and spectra; choosing and defending K</li>
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<li><strong>Frozen CNN embeddings</strong> as feature extractors — no labels needed</li>
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<li><strong>Hyperspectral clustering</strong>: flatten datacubes (EELS/EDS), cluster, re-image as phase maps</li>
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<li><strong>Autoencoders</strong>: low-dimensional bottleneck representations for materials images</li>
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<li><strong>Anomaly detection</strong> via reconstruction-error thresholding on nominal data</li>
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</ul>
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<p><strong>Exercise:</strong><br>
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Train a small CNN on microstructure images; analyze failure cases.</p>
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<p><strong>Exercise:</strong> Cluster materials data with k-means and train a convolutional autoencoder; evaluate clustering quality and anomaly detection.</p>
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<hr>
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</section>
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<section id="week-6-data-scarcity-transfer-learning" class="level4" data-number="1.3.2.3">
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<p><strong>Exercise:</strong> Compare GP regression and NN ensembles for a process-parameter problem.</p>
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<hr>
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</section>
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<section id="week-14-integration-limits-and-reflection" class="level4" data-number="1.3.5.2">
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<h4 data-number="1.3.5.2" class="anchored" data-anchor-id="week-14-integration-limits-and-reflection"><span class="header-section-number">1.3.5.2</span> Week 14 – Integration, limits, and reflection</h4>
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<section id="week-14-course-recap-from-materials-data-to-trustworthy-models" class="level4" data-number="1.3.5.2">
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<h4 data-number="1.3.5.2" class="anchored" data-anchor-id="week-14-course-recap-from-materials-data-to-trustworthy-models"><span class="header-section-number">1.3.5.2</span> Week 14 – Course recap: from materials data to trustworthy models</h4>
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<p><em>Lecture: Tuesday, 14.07.2026, 14:15-15:45 | Exercise: Thursday, 16.07.2026, 16:15-17:45</em></p>
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<p><strong>Slides:</strong> <a href="https://pelzlab.science/public_presentations/ml_for_characterization_and_processing/unit13_reflection/14_reflection.html">Open</a></p>
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<ul>
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<li>Explainability for experimental ML (CAMs, SHAP).</li>
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<li>Why ML fails in real labs.</li>
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<li>Where ML genuinely changes materials processing.</li>
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<li>The course in one map: raw materials data → representations → models → uncertainty and trust.</li>
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<li>Unit-by-unit recap (Units 1–12), each with four checkpoints: what question, what method &amp; equation, when to reach for it and where it breaks, what you must be able to do in the exam.</li>
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<li>Decision guide: twelve real lab scenarios mapped to the right method and unit.</li>
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<li>Two questions before any deployment: “Where did this data come from?” (Units 1–3) and “How wrong can I afford to be?” (Unit 12).</li>
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<li>Exam scope and mini-project rubric.</li>
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</ul>
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<p><strong>Exercise:</strong> Mini-project presentations and critical discussion.</p>
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<hr>

index.docx

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"Course Curriculum and Materials\n",
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"\n",
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"Philipp Pelz (Materials Science and Engineering) \n",
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"July 5, 2026\n",
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"July 11, 2026\n",
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"\n",
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"This course teaches how machine learning can be applied to experimental data from materials processing and characterization. The focus lies on images, spectra, time-series, and processing parameters, and on understanding how physical data formation interacts with learning algorithms. Students learn to build robust, uncertainty-aware ML pipelines for real experimental workflows, avoiding common pitfalls such as data leakage, overfitting, and spurious correlations."
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],
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"}\n",
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"</style>"
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" <strong>How to use this course site.</strong> Use this page as the central hub for syllabus, lecture structure, reading, notebooks, and course materials. Formal announcements and enrollment remain on StudOn; code and openly shared resources live in the linked GitHub repository.\n",
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"</div>"
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],
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"id": "2f3c1b9b-0c9e-4d20-8ded-8f492d0d4820"
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{
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"cell_type": "markdown",
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"\n",
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"------------------------------------------------------------------------\n",
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"\n",
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"#### Week 5 – Neural networks for microstructure images\n",
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"#### Week 5 – Unsupervised learning: clustering & autoencoders\n",
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"\n",
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"*Lecture: Tuesday, 12.05.2026, 14:15-15:45 \\| Exercise: Thursday, 14.05.2026, 16:15-17:45 (cancelled - Himmelfahrt)*\n",
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"\n",
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"**Slides:** [Open](https://pelzlab.science/public_presentations/ml_for_characterization_and_processing/unit05_unsupervised_learning/01_intro.html)\n",
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"\n",
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"- CNN intuition: filters as structure detectors.\n",
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"- Example tasks: phase segmentation, defect detection, porosity identification.\n",
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"- Overfitting risks with small datasets.\n",
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"- Clustering materials data without labels: k-means and Gaussian mixtures.\n",
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"- CNN embeddings as unsupervised feature spaces for phase discovery.\n",
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"- Autoencoders for compression, denoising, and anomaly detection.\n",
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"\n",
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"**Summary:**\n",
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"\n",
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"- **Convolutional Neural Networks (CNNs)** for materials characterization\n",
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"- Hierarchical structure detectors: edges → textures → phase morphologies\n",
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"- Filters and pooling; parameter efficiency vs. MLPs\n",
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"- Case studies: phase segmentation, defect detection\n",
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"- Practical challenges: high-resolution, noisy micrographs\n",
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"- **K-means and GMM** for discovering structure in descriptors and spectra; choosing and defending K\n",
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"- **Frozen CNN embeddings** as feature extractors — no labels needed\n",
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"- **Hyperspectral clustering**: flatten datacubes (EELS/EDS), cluster, re-image as phase maps\n",
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"- **Autoencoders**: low-dimensional bottleneck representations for materials images\n",
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"- **Anomaly detection** via reconstruction-error thresholding on nominal data\n",
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"\n",
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"**Exercise:** \n",
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"Train a small CNN on microstructure images; analyze failure cases.\n",
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"**Exercise:** Cluster materials data with k-means and train a convolutional autoencoder; evaluate clustering quality and anomaly detection.\n",
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"\n",
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"------------------------------------------------------------------------\n",
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"\n",
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"\n",
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"------------------------------------------------------------------------\n",
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"\n",
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"#### Week 14 – Integration, limits, and reflection\n",
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"#### Week 14 – Course recap: from materials data to trustworthy models\n",
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"\n",
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"*Lecture: Tuesday, 14.07.2026, 14:15-15:45 \\| Exercise: Thursday, 16.07.2026, 16:15-17:45*\n",
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"\n",
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"**Slides:** [Open](https://pelzlab.science/public_presentations/ml_for_characterization_and_processing/unit13_reflection/14_reflection.html)\n",
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"\n",
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"- Explainability for experimental ML (CAMs, SHAP).\n",
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"- Why ML fails in real labs.\n",
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"- Where ML genuinely changes materials processing.\n",
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"- The course in one map: raw materials data → representations → models → uncertainty and trust.\n",
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"- Unit-by-unit recap (Units 1–12), each with four checkpoints: what question, what method & equation, when to reach for it and where it breaks, what you must be able to do in the exam.\n",
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"- Decision guide: twelve real lab scenarios mapped to the right method and unit.\n",
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"- Two questions before any deployment: “Where did this data come from?” (Units 1–3) and “How wrong can I afford to be?” (Unit 12).\n",
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"- Exam scope and mini-project rubric.\n",
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"\n",
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"**Exercise:** Mini-project presentations and critical discussion.\n",
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"\n",
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"- ML-assisted autofocus or EBSD pattern classification.\n",
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"- Multi-modal fusion of images, spectra, and process parameters."
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],
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"id": "a2b304cb-c139-4f60-a8f7-b320c6013df7"
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"id": "ad610cc8-7fea-4836-ba12-46614b000e3a"
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}
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],
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"nbformat": 4,

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