Adaptive spectroscopy
Reconstruct a spectrum from selected wavelengths.
Measure up to eight wavelengths, then predict the missing absorbance values.
8 / 8budget remaining
Experiments
Initial observations
[
{
"query": {
"wavelength": 400
},
"values": [
-0.04581451004100738
],
"noise_std": [
0.025
]
},
{
"query": {
"wavelength": 650
},
"values": [
0.05276730813425982
],
"noise_std": [
0.025
]
}
]Predictions
Model and scoring details
{
"task_id": "adaptive-spectroscopy",
"version": "0.2.0",
"budget": 8,
"cost_semantics": "Every accepted experiment costs one credit; at most two repeats per action. Invalid requests cost nothing. The budget is a hard constraint; unused credits do not directly increase the score.",
"measurement_noise": "Independent additive zero-mean Gaussian noise per output and replicate, with the listed fixed standard deviations. Readouts are not clipped. Each measurement has equal synthetic exposure/cost. Repeating observe_initial returns the same initial data, not new measurements.",
"split_definition": "Train and test use independent parameter/noise draws from the same published distributions. No claim of out-of-family generalization.",
"status": "Original synthetic prototype; no physical calibration or LLM training result.",
"submission": "Submit one finite numeric matrix in the exact prediction_shape. Submission is terminal and cannot be retried after acceptance.",
"scoring": {
"name": "inverse_normalized_mse",
"formula": "score = 1 / (1 + mean(((prediction - noiseless_hidden_target) / scale)^2))",
"scale": [
0.025
],
"range": [
0,
1
],
"meaning": "Higher is better. Exact latent-mean prediction scores 1. A normalized RMSE equal to one measurement-noise standard deviation scores 0.5. Measurement noise is not added to hidden targets."
},
"title": "Adaptive spectral measurement",
"outputs": [
"absorbance"
],
"noise_std": [
0.025
],
"instructions": "Choose eight wavelength measurements to identify a hidden spectral library and estimate a synthetic mixture spectrum. The library controls a global wavelength shift and peak broadening; amplitudes, offset and slope are also unknown. Predict the listed unseen wavelengths. Absorbance is in synthetic units.",
"model": "y(lambda)=sum_i a_i*exp(-0.5*((lambda-center_i-shift)/(width_i*broadening))^2)+offset+slope*(lambda-500)/100. Base centers [447,482,531], widths [10,18,12] nm. One hidden library uses shift in [-8,0,8] nm and broadening in [0.75,1,1.25]. No physical calibration or scattering model.",
"prior": "All nine shift/broadening pairs equally likely. a_i independently Uniform(0.1,1); offset Uniform(0,0.12); slope Uniform(-0.04,0.04).",
"initial_queries": [
{
"wavelength": 400
},
{
"wavelength": 650
}
],
"prediction_queries": [
{
"wavelength": 421
},
{
"wavelength": 437
},
{
"wavelength": 453
},
{
"wavelength": 469
},
{
"wavelength": 487
},
{
"wavelength": 501
},
{
"wavelength": 517
},
{
"wavelength": 533
},
{
"wavelength": 549
},
{
"wavelength": 577
},
{
"wavelength": 613
},
{
"wavelength": 637
}
],
"experiments": [
{
"id": "measure-405",
"label": "Measure 405 nm",
"query": {
"wavelength": 405
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-410",
"label": "Measure 410 nm",
"query": {
"wavelength": 410
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-415",
"label": "Measure 415 nm",
"query": {
"wavelength": 415
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-420",
"label": "Measure 420 nm",
"query": {
"wavelength": 420
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-425",
"label": "Measure 425 nm",
"query": {
"wavelength": 425
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-430",
"label": "Measure 430 nm",
"query": {
"wavelength": 430
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-435",
"label": "Measure 435 nm",
"query": {
"wavelength": 435
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-440",
"label": "Measure 440 nm",
"query": {
"wavelength": 440
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-445",
"label": "Measure 445 nm",
"query": {
"wavelength": 445
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-450",
"label": "Measure 450 nm",
"query": {
"wavelength": 450
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-455",
"label": "Measure 455 nm",
"query": {
"wavelength": 455
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-460",
"label": "Measure 460 nm",
"query": {
"wavelength": 460
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-465",
"label": "Measure 465 nm",
"query": {
"wavelength": 465
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-470",
"label": "Measure 470 nm",
"query": {
"wavelength": 470
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-475",
"label": "Measure 475 nm",
"query": {
"wavelength": 475
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-480",
"label": "Measure 480 nm",
"query": {
"wavelength": 480
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-485",
"label": "Measure 485 nm",
"query": {
"wavelength": 485
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-490",
"label": "Measure 490 nm",
"query": {
"wavelength": 490
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-495",
"label": "Measure 495 nm",
"query": {
"wavelength": 495
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-500",
"label": "Measure 500 nm",
"query": {
"wavelength": 500
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-505",
"label": "Measure 505 nm",
"query": {
"wavelength": 505
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-510",
"label": "Measure 510 nm",
"query": {
"wavelength": 510
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-515",
"label": "Measure 515 nm",
"query": {
"wavelength": 515
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-520",
"label": "Measure 520 nm",
"query": {
"wavelength": 520
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-525",
"label": "Measure 525 nm",
"query": {
"wavelength": 525
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-530",
"label": "Measure 530 nm",
"query": {
"wavelength": 530
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-535",
"label": "Measure 535 nm",
"query": {
"wavelength": 535
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-540",
"label": "Measure 540 nm",
"query": {
"wavelength": 540
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-545",
"label": "Measure 545 nm",
"query": {
"wavelength": 545
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-550",
"label": "Measure 550 nm",
"query": {
"wavelength": 550
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-555",
"label": "Measure 555 nm",
"query": {
"wavelength": 555
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-560",
"label": "Measure 560 nm",
"query": {
"wavelength": 560
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-565",
"label": "Measure 565 nm",
"query": {
"wavelength": 565
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-570",
"label": "Measure 570 nm",
"query": {
"wavelength": 570
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-575",
"label": "Measure 575 nm",
"query": {
"wavelength": 575
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-580",
"label": "Measure 580 nm",
"query": {
"wavelength": 580
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-585",
"label": "Measure 585 nm",
"query": {
"wavelength": 585
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-590",
"label": "Measure 590 nm",
"query": {
"wavelength": 590
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-595",
"label": "Measure 595 nm",
"query": {
"wavelength": 595
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-600",
"label": "Measure 600 nm",
"query": {
"wavelength": 600
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-605",
"label": "Measure 605 nm",
"query": {
"wavelength": 605
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-610",
"label": "Measure 610 nm",
"query": {
"wavelength": 610
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-615",
"label": "Measure 615 nm",
"query": {
"wavelength": 615
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-620",
"label": "Measure 620 nm",
"query": {
"wavelength": 620
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-625",
"label": "Measure 625 nm",
"query": {
"wavelength": 625
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-630",
"label": "Measure 630 nm",
"query": {
"wavelength": 630
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-635",
"label": "Measure 635 nm",
"query": {
"wavelength": 635
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-640",
"label": "Measure 640 nm",
"query": {
"wavelength": 640
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-645",
"label": "Measure 645 nm",
"query": {
"wavelength": 645
},
"cost": 1,
"max_replicates": 2
}
],
"action_schema": {
"type": "object",
"properties": {
"action_id": {
"type": "string",
"enum": [
"measure-405",
"measure-410",
"measure-415",
"measure-420",
"measure-425",
"measure-430",
"measure-435",
"measure-440",
"measure-445",
"measure-450",
"measure-455",
"measure-460",
"measure-465",
"measure-470",
"measure-475",
"measure-480",
"measure-485",
"measure-490",
"measure-495",
"measure-500",
"measure-505",
"measure-510",
"measure-515",
"measure-520",
"measure-525",
"measure-530",
"measure-535",
"measure-540",
"measure-545",
"measure-550",
"measure-555",
"measure-560",
"measure-565",
"measure-570",
"measure-575",
"measure-580",
"measure-585",
"measure-590",
"measure-595",
"measure-600",
"measure-605",
"measure-610",
"measure-615",
"measure-620",
"measure-625",
"measure-630",
"measure-635",
"measure-640",
"measure-645"
]
}
},
"required": [
"action_id"
],
"additionalProperties": false
},
"prediction_shape": [
12,
1
]
}Synthetic example with public answers. This is not a secure benchmark.
Task details
Choose eight wavelength measurements to identify a hidden spectral library and estimate a synthetic mixture spectrum.
A uniform scan can waste observations. The agent must balance exploring uncertain regions with resolving structure it has already detected.
Actions
- Sample. Select a permitted measurement setting and receive an observation.
- Reconstruct. Predict the requested unobserved signal values.
Sample run
Initial observations
The measurements available before the policy spends its experimental budget.
[
{
"query": {
"wavelength": 400
},
"values": [
0.14200173829994228
],
"noise_std": [
0.025
]
},
{
"query": {
"wavelength": 650
},
"values": [
0.05076520381939585
],
"noise_std": [
0.025
]
}
]Upper median score among all completed adaptive-classical runs, selected for illustration after evaluation; not an LLM rollout or a best run. Estimator: Nine-library posterior with Gaussian-prior amplitude regression; target-variance experimental design
Read the full task specification
{
"task_id": "adaptive-spectroscopy",
"version": "0.2.0",
"budget": 8,
"cost_semantics": "Every accepted experiment costs one credit; at most two repeats per action. Invalid requests cost nothing. The budget is a hard constraint; unused credits do not directly increase the score.",
"measurement_noise": "Independent additive zero-mean Gaussian noise per output and replicate, with the listed fixed standard deviations. Readouts are not clipped. Each measurement has equal synthetic exposure/cost. Repeating observe_initial returns the same initial data, not new measurements.",
"split_definition": "Train and test use independent parameter/noise draws from the same published distributions. No claim of out-of-family generalization.",
"status": "Original synthetic prototype; no physical calibration or LLM training result.",
"submission": "Submit one finite numeric matrix in the exact prediction_shape. Submission is terminal and cannot be retried after acceptance.",
"scoring": {
"name": "inverse_normalized_mse",
"formula": "score = 1 / (1 + mean(((prediction - noiseless_hidden_target) / scale)^2))",
"scale": [
0.025
],
"range": [
0,
1
],
"meaning": "Higher is better. Exact latent-mean prediction scores 1. A normalized RMSE equal to one measurement-noise standard deviation scores 0.5. Measurement noise is not added to hidden targets."
},
"title": "Adaptive spectral measurement",
"outputs": [
"absorbance"
],
"noise_std": [
0.025
],
"instructions": "Choose eight wavelength measurements to identify a hidden spectral library and estimate a synthetic mixture spectrum. The library controls a global wavelength shift and peak broadening; amplitudes, offset and slope are also unknown. Predict the listed unseen wavelengths. Absorbance is in synthetic units.",
"model": "y(lambda)=sum_i a_i*exp(-0.5*((lambda-center_i-shift)/(width_i*broadening))^2)+offset+slope*(lambda-500)/100. Base centers [447,482,531], widths [10,18,12] nm. One hidden library uses shift in [-8,0,8] nm and broadening in [0.75,1,1.25]. No physical calibration or scattering model.",
"prior": "All nine shift/broadening pairs equally likely. a_i independently Uniform(0.1,1); offset Uniform(0,0.12); slope Uniform(-0.04,0.04).",
"initial_queries": [
{
"wavelength": 400
},
{
"wavelength": 650
}
],
"prediction_queries": [
{
"wavelength": 421
},
{
"wavelength": 437
},
{
"wavelength": 453
},
{
"wavelength": 469
},
{
"wavelength": 487
},
{
"wavelength": 501
},
{
"wavelength": 517
},
{
"wavelength": 533
},
{
"wavelength": 549
},
{
"wavelength": 577
},
{
"wavelength": 613
},
{
"wavelength": 637
}
],
"experiments": [
{
"id": "measure-405",
"label": "Measure 405 nm",
"query": {
"wavelength": 405
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-410",
"label": "Measure 410 nm",
"query": {
"wavelength": 410
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-415",
"label": "Measure 415 nm",
"query": {
"wavelength": 415
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-420",
"label": "Measure 420 nm",
"query": {
"wavelength": 420
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-425",
"label": "Measure 425 nm",
"query": {
"wavelength": 425
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-430",
"label": "Measure 430 nm",
"query": {
"wavelength": 430
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-435",
"label": "Measure 435 nm",
"query": {
"wavelength": 435
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-440",
"label": "Measure 440 nm",
"query": {
"wavelength": 440
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-445",
"label": "Measure 445 nm",
"query": {
"wavelength": 445
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-450",
"label": "Measure 450 nm",
"query": {
"wavelength": 450
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-455",
"label": "Measure 455 nm",
"query": {
"wavelength": 455
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-460",
"label": "Measure 460 nm",
"query": {
"wavelength": 460
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-465",
"label": "Measure 465 nm",
"query": {
"wavelength": 465
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-470",
"label": "Measure 470 nm",
"query": {
"wavelength": 470
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-475",
"label": "Measure 475 nm",
"query": {
"wavelength": 475
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-480",
"label": "Measure 480 nm",
"query": {
"wavelength": 480
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-485",
"label": "Measure 485 nm",
"query": {
"wavelength": 485
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-490",
"label": "Measure 490 nm",
"query": {
"wavelength": 490
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-495",
"label": "Measure 495 nm",
"query": {
"wavelength": 495
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-500",
"label": "Measure 500 nm",
"query": {
"wavelength": 500
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-505",
"label": "Measure 505 nm",
"query": {
"wavelength": 505
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-510",
"label": "Measure 510 nm",
"query": {
"wavelength": 510
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-515",
"label": "Measure 515 nm",
"query": {
"wavelength": 515
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-520",
"label": "Measure 520 nm",
"query": {
"wavelength": 520
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-525",
"label": "Measure 525 nm",
"query": {
"wavelength": 525
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-530",
"label": "Measure 530 nm",
"query": {
"wavelength": 530
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-535",
"label": "Measure 535 nm",
"query": {
"wavelength": 535
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-540",
"label": "Measure 540 nm",
"query": {
"wavelength": 540
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-545",
"label": "Measure 545 nm",
"query": {
"wavelength": 545
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-550",
"label": "Measure 550 nm",
"query": {
"wavelength": 550
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-555",
"label": "Measure 555 nm",
"query": {
"wavelength": 555
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-560",
"label": "Measure 560 nm",
"query": {
"wavelength": 560
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-565",
"label": "Measure 565 nm",
"query": {
"wavelength": 565
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-570",
"label": "Measure 570 nm",
"query": {
"wavelength": 570
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-575",
"label": "Measure 575 nm",
"query": {
"wavelength": 575
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-580",
"label": "Measure 580 nm",
"query": {
"wavelength": 580
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-585",
"label": "Measure 585 nm",
"query": {
"wavelength": 585
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-590",
"label": "Measure 590 nm",
"query": {
"wavelength": 590
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-595",
"label": "Measure 595 nm",
"query": {
"wavelength": 595
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-600",
"label": "Measure 600 nm",
"query": {
"wavelength": 600
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-605",
"label": "Measure 605 nm",
"query": {
"wavelength": 605
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-610",
"label": "Measure 610 nm",
"query": {
"wavelength": 610
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-615",
"label": "Measure 615 nm",
"query": {
"wavelength": 615
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-620",
"label": "Measure 620 nm",
"query": {
"wavelength": 620
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-625",
"label": "Measure 625 nm",
"query": {
"wavelength": 625
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-630",
"label": "Measure 630 nm",
"query": {
"wavelength": 630
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-635",
"label": "Measure 635 nm",
"query": {
"wavelength": 635
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-640",
"label": "Measure 640 nm",
"query": {
"wavelength": 640
},
"cost": 1,
"max_replicates": 2
},
{
"id": "measure-645",
"label": "Measure 645 nm",
"query": {
"wavelength": 645
},
"cost": 1,
"max_replicates": 2
}
],
"action_schema": {
"type": "object",
"properties": {
"action_id": {
"type": "string",
"enum": [
"measure-405",
"measure-410",
"measure-415",
"measure-420",
"measure-425",
"measure-430",
"measure-435",
"measure-440",
"measure-445",
"measure-450",
"measure-455",
"measure-460",
"measure-465",
"measure-470",
"measure-475",
"measure-480",
"measure-485",
"measure-490",
"measure-495",
"measure-500",
"measure-505",
"measure-510",
"measure-515",
"measure-520",
"measure-525",
"measure-530",
"measure-535",
"measure-540",
"measure-545",
"measure-550",
"measure-555",
"measure-560",
"measure-565",
"measure-570",
"measure-575",
"measure-580",
"measure-585",
"measure-590",
"measure-595",
"measure-600",
"measure-605",
"measure-610",
"measure-615",
"measure-620",
"measure-625",
"measure-630",
"measure-635",
"measure-640",
"measure-645"
]
}
},
"required": [
"action_id"
],
"additionalProperties": false
},
"prediction_shape": [
12,
1
]
}Evaluation
Reward is 1 / (1 + normalized MSE) against noiseless target means. Higher is better. Each output error is normalized by its published scale (0.025). Experimental cost is enforced through the budget.
| Policy | Episodes | Mean reward | 95% bootstrap interval | Mean RMSE |
|---|---|---|---|---|
| No experiments | 30 | 0.0212 | 0.0169–0.0260 | 0.1911 |
| Random experiments | 30 | 0.2376 | 0.1460–0.3395 | 0.0887 |
| Classical experimental design | 30 | 0.7516 | 0.7059–0.7938 | 0.0144 |
| Prior-fixed design | 30 | 0.6513 | 0.6007–0.7005 | 0.0187 |
Paired worlds; random and classical design use identical published budgets (circuits8, kinetics3, spectra8) and the same estimator within each family. Spectra also includes a prior-fixed design diagnostic with the same estimator. Identical action/replicate pairs have identical noise. No-experiment uses only free initial observations. 95% percentile bootstrap CIs resample worlds 4000 times. Seed base and split are explicit and fixed before evaluation. Independent worlds use the same published prior. These numerical policies do not establish RL training gain. One in-session agent trial on a separate fresh world scored 0.8699 (RMSE 0.00967, 8 experiments). This is one protocol-blinded attempt, not a model benchmark; its complete trace is downloadable.
Sources and limitations
- Bayesian active learning with model selection for spectral experimentsTomohiro Nabika, Kenji Nagata, Masaichiro Mizumaki, Shun Katakami, Masato Okada · 2024
Primary mathematical anchor for adaptive peak discrimination, measurement-point choice and exposure budgets.
Results described include numerical XPS experiments; our Gaussian-mixture/linear-mixing demo is a simplified adaptation, not a replication or a chemically validated spectrometer.
- Optimal spectroscopic measurement design: Bayesian framework for rational data acquisitionYusei Ito, Yasuo Takeichi, Hideitsu Hino, Kanta Ono · 2025
Known-library mixture identification and acquisition-budget reasoning.
The reported reduction in points is system-specific; spectral databases and calibration assumptions are not available automatically for this new environment.
- Bayesian calibration, process modeling and uncertainty quantification in biotechnologyLaura Marie Helleckes, Michael Osthege, Wolfgang Wiechert, Eric von Lieres, Marco Oldiges · 2022
Calibration, saturation, heteroscedasticity and uncertainty propagation task family.
Source experiments concern particular biomass and glucose workflows; simplified synthetic assay models are not instrument-calibrated replacements.