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1 | | -# Week 10 Summary: Automation in microscopy and characterization |
| 1 | +# Week 10 Summary: Transformers for materials characterization |
2 | 2 |
|
3 | 3 | ## Cross-Book Summary |
4 | 4 |
|
5 | | -### 1. Multi-Modal Data Fusion |
6 | | -- **Beyond Single Sensors:** Fuse images (SEM), chemistry (EDS), and orientations (EBSD) for a complete physical picture. |
7 | | -- **Bayesian Sensor Fusion:** Combines uncertain measurements using precision-weighted posteriors. |
8 | | -- **Latent Fusion:** Autoencoders/PCA find shared embeddings to combine diverse data types. |
| 5 | +### 1. Why Attention for Materials |
| 6 | +- **Long-range correlations:** Many characterization signals (diffraction, micrograph stacks) have dependencies that exceed practical CNN receptive fields. |
| 7 | +- **Self-attention:** Lets every token attend to every other token directly, capturing global structure in one layer. |
9 | 8 |
|
10 | | -### 2. Reinforcement Learning for Control |
11 | | -- **Autonomous Agent:** Learns to interact with environments (e.g., microscopes) to maximize rewards. |
12 | | -- **RL Loop:** State (image), Action (adjust focus), Reward (sharpness/SNR). |
13 | | -- **Policy Gradients:** Train NNs for optimal scientific decision-making. |
| 9 | +### 2. The Transformer Toolkit |
| 10 | +- **Scaled dot-product attention:** The core operation and its O(L²) cost. |
| 11 | +- **Vision Transformer (ViT):** Patchify → embed → encode → classify; transformers applied to image-like data. |
| 12 | +- **Flash Attention:** A fused kernel that makes long sequences tractable without materialising the L×L matrix. |
14 | 13 |
|
15 | | -### 3. Computer Vision in the Lab |
16 | | -- **Automated Workflows:** CNNs for real-time ROI detection, autofocus, and pattern classification. |
| 14 | +### 3. Materials Applications |
| 15 | +- **ViT on 4D-STEM:** Diffraction patches become a token sequence for a ViT encoder. |
| 16 | +- **Cross-attention across LPBF layers:** Long-stack micrograph context for additive-manufacturing monitoring. |
| 17 | + |
| 18 | +### 4. Scaling Alternatives (Awareness Only) |
| 19 | +- **Mamba / structured state-space models (SSMs):** O(L) compute, constant memory; competitive on long sequences. Cross-reference the Week 7 time-series deck. |
17 | 20 |
|
18 | 21 | ## 90-Minute Lecture Strategy |
19 | 22 |
|
20 | | -### Part 1: Toward the Self-Driving Lab |
21 | | -- The automation stack. |
22 | | -- Autonomous Characterization: Scan, Analyze, Decide, Repeat. |
| 23 | +### Part 1: Where We Are |
| 24 | +- Recap of Week 9 (characterization signals) and why we now need attention. |
23 | 25 |
|
24 | | -### Part 2: ML-Assisted Instrument Tuning |
25 | | -- Autofocus and Beam Alignment. |
26 | | -- Real-time feedback loops. |
| 26 | +### Part 2: Why Attention |
| 27 | +- Long-range correlations exceed CNN receptive fields. |
27 | 28 |
|
28 | | -### Part 3: Fusing Multi-Modal Data |
29 | | -- Bayesian Fusion for sensor noise. |
30 | | -- Multi-head NNs. |
31 | | -- Combining XRD and EDS. |
| 29 | +### Part 3: Mechanics |
| 30 | +- Scaled dot-product attention: the formula and the cost. |
| 31 | +- ViT in five lines: patchify, embed, encode, classify. |
| 32 | +- Flash Attention: the kernel that makes long sequences tractable. |
32 | 33 |
|
33 | | -### Part 4: RL for Lab Control |
34 | | -- RL Framework overview. |
35 | | -- Reward Functions for science. |
36 | | -- Industrial glass processing control. |
| 34 | +### Part 4: Materials Applications |
| 35 | +- ViT on 4D-STEM diffraction. |
| 36 | +- Cross-attention across LPBF layer stacks. |
37 | 37 |
|
38 | | -### Part 5: The Integrated Pipeline |
39 | | -- "On-the-fly" discovery. |
40 | | -- Automation challenges: Latency and safety. |
| 38 | +### Part 5: Practice and Pitfalls |
| 39 | +- `nn.MultiheadAttention` vs `F.scaled_dot_product_attention`. |
| 40 | +- Scaling alternatives (Mamba / SSMs) — mention only. |
| 41 | +- Anti-patterns: what *not* to do. |
| 42 | +- Exercise preview. |
41 | 43 |
|
42 | 44 | ## Quarto Website Update (Summary) |
43 | | -**Summary for ML-PC Week 11:** |
44 | | -- Explores Autonomous Characterization and active instrument control. |
45 | | -- Introduces Multi-Modal Data Fusion (Bayesian and Latent). |
46 | | -- Uses Reinforcement Learning (RL) for laboratory task automation. |
47 | | -- Details building integrated pipelines for "on-the-fly" scientific discovery. |
| 45 | +**Summary for ML-PC Week 10:** |
| 46 | +- Motivates self-attention for long-range structure in characterization data. |
| 47 | +- Covers scaled dot-product attention, the Vision Transformer, and Flash Attention. |
| 48 | +- Applies transformers to 4D-STEM diffraction and LPBF layer-stack context. |
| 49 | +- Notes Mamba / state-space models as scaling alternatives, and when not to reach for a transformer. |
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