The Geometric Alignment Tax: Tokenization vs. Continuous Geometry in Scientific Foundation Models
Abstract
Foundation models for biology and physics optimize predictive accuracy, but their internal representations systematically fail to preserve the continuous geometry of the systems they model. We identify the root cause: the Geometric Alignment Tax, an intrinsic cost of forcing continuous manifolds through discrete categorical bottlenecks. Controlled ablations on synthetic dynamical systems demonstrate that replacing cross-entropy with a continuous head on an identical encoder reduces geometric distortion by up to 8.5x, while learned codebooks exhibit a non-monotonic double bind where finer quantization worsens geometry despite improving reconstruction. Under continuous objectives, three architectures differ by 1.3x; under discrete tokenization, they diverge by 3,000x. Evaluating 14 biological foundation models with rate-distortion theory and MINE, we identify three failure regimes: Local-Global Decoupling, Representational Compression, and Geometric Vacuity. A controlled experiment confirms that Evo 2's reverse-complement robustness on real DNA reflects conserved sequence composition, not learned symmetry. No model achieves simultaneously low distortion, high mutual information, and global coherence.
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Appendix
| Model | Layer | Pooling | Tokenization | Dim |
| ESM-2 (8M–15B) | Final hidden | Mean-pool | Per-residue | 320–5120 |
| ESM-1b | Final hidden | Mean-pool | Per-residue | 1280 |
| OpenFold (Evoformer) | Evoformer output | Mean-pool | Per-residue | 384 |
| ProtMamba | Final hidden | Mean-pool | Per-residue | 1024 |
| SaProt (35M–1.3B) | Final hidden | Mean-pool | Foldseek+residue | 480–1280 |
| DNABERT-2 | Final hidden | Mean-pool | BPE | 768 |
| Model | Layers | Heads | FFN dim | SSM | Params | |
|---|---|---|---|---|---|---|
| SmallBERT (Transformer) | 4 | 256 | 4 | 1024 | – | 2M |
| SmallMamba (SSM) | 4 | 256 | – | – | 16 | 2M |
| SmallStripedHyena (Hybrid) | 4 | 256 | 4 | 1024 | – | 2M |
| Model | Architecture | Tokenization | Embed dim | Params | Embedding layer |
|---|---|---|---|---|---|
| DNABERT-2 | BERT Transformer | BPE | 768 | 117M | Last hidden, mean-pool |
| Nucleotide Transformer v2 | BERT Transformer | 6-mer | 1024 | 500M | Last hidden, mean-pool |
| Evo 2 | StripedHyena (SSM+Attn) | Single-char | 4096 | 7B | blocks.28.mlp.l3 , mean-pool |
| Caduceus (PS) | Mamba SSM (RC-equiv.) | Single-char | 256 | 7.7M | Hidden state, mean-pool |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| ESM2-8M | 7.5 | aa_sub_1pct | 0.958 | 0.001 | 0.004 | 0.463 |
| aa_sub_2pct | 0.916 | 0.017 | 0.007 | 0.453 | ||
| aa_sub_5pct | 0.811 | 0.012 | 0.008 | 0.426 | ||
| aa_sub_10pct | 0.675 | 0.002 | 0.012 | 0.392 | ||
| reverse | 0.776 | 0.004 | 0.012 | 0.418 | ||
| ESM2-35M | 33.5 | aa_sub_1pct | 0.921 | 0.013 | 0.009 | 0.454 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| ESM2-8M | 8 | aa_sub_1pct | 0.966 | 0.029 | 0.004 | 0.466 |
| aa_sub_5pct | 0.824 | 0.018 | 0.008 | 0.430 | ||
| aa_sub_10pct | 0.688 | 0.048 | 0.011 | 0.396 | ||
| reverse | 0.786 | 0.025 | 0.011 | 0.421 | ||
| ESM2-35M | 34 | aa_sub_1pct | 0.942 | 0.035 | 0.005 | 0.462 |
| aa_sub_5pct | 0.737 | 0.048 | 0.013 | 0.411 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| NT-50M | 55.9 | snp_1pct | 0.726 | 0.027 | 0.248 | 0.340 |
| snp_2pct | 0.545 | 0.029 | 0.318 | 0.295 | ||
| snp_5pct | 0.254 | 0.032 | 0.421 | 0.222 | ||
| snp_10pct | 0.085 | 0.034 | 0.509 | 0.180 | ||
| reverse_comp | 0.000 | 0.036 | 0.598 | 0.159 | ||
| NT-100M | 97.9 | snp_1pct | 0.700 | 0.028 | 0.278 | 0.336 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| NT-v2-50M | snp_1pct | 0.748 | 0.027 | 0.250 | 0.344 |
| snp_2pct | 0.575 | 0.028 | 0.329 | 0.301 | |
| snp_5pct | 0.283 | 0.032 | 0.487 | 0.228 | |
| snp_10pct | 0.100 | 0.041 | 0.700 | 0.182 | |
| reverse_comp | 0.002 | 0.042 | 0.730 | 0.158 | |
| NT-v2-100M | snp_1pct | 0.720 | 0.027 | 0.262 | 0.342 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| Cad-0.5M (1k ctx) | SNP 1% | 0.9517 | 0.0169 | 0.0002 | 0.4833 |
| SNP 2% | 0.9049 | 0.0235 | 0.0002 | 0.4716 | |
| SNP 5% | 0.7874 | 0.0189 | 0.0003 | 0.4422 | |
| SNP 10% | 0.6208 | 0.0144 | 0.0004 | 0.4006 | |
| Rev. Comp. | 1.0000 | 0.0202 | 0.0000 | 0.4954 | |
| Cad-1.9M (1k ctx) | SNP 1% | 0.9521 | 0.0231 | 0.0001 | 0.4733 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| Cad-0.5M (1k ctx) | SNP 1% | 0.9972 | 0.0022 | 0.0062 | 0.4950 |
| SNP 2% | 0.9935 | 0.0312 | 0.0116 | 0.4941 | |
| SNP 5% | 0.9810 | 0.1499 | 0.0245 | 0.4910 | |
| SNP 10% | 0.9622 | 0.3037 | 0.0382 | 0.4863 | |
| Rev. Comp. | 1.0000 | 0.0115 | 0.0000 | 0.4957 | |
| Cad-1.9M (1k ctx) | SNP 1% | 0.9978 | 0.0549 | 0.0060 | 0.4828 |
| Context | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| 8K | snp_1pct | 0.747 | 0.019 | 13.610 | 0.439 |
| snp_2pct | 0.604 | 0.059 | 21.445 | 0.403 | |
| snp_5pct | 0.392 | 0.020 | 29.104 | 0.350 | |
| snp_10pct | 0.269 | 0.030 | 22.807 | 0.319 | |
| reverse_comp | 0.139 | 0.011 | 34.270 | 0.287 | |
| 262K | snp_1pct | 0.776 | 0.022 | 15.131 | 0.444 |
| Context | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| 8K | snp_1pct | 0.990 | 0.030 | 142.643 | 0.497 |
| snp_5pct | 0.946 | 0.090 | 793.222 | 0.486 | |
| snp_10pct | 0.874 | 0.276 | 1786.473 | 0.468 | |
| reverse_comp | 0.879 | 0.003 | 53.054 | 0.469 | |
| 262K | snp_1pct | 0.991 | 0.024 | 122.845 | 0.497 |
| snp_5pct | 0.948 | 0.085 | 717.415 | 0.486 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| Hyena-tiny | 0.4 | snp_1pct | 0.953 | 0.021 | 0.000 | 0.442 |
| snp_5pct | 0.784 | 0.025 | 0.001 | 0.399 | ||
| snp_10pct | 0.608 | 0.025 | 0.001 | 0.356 | ||
| reverse_comp | 0.270 | 0.029 | 0.001 | 0.271 | ||
| Hyena-small | 3.3 | snp_1pct | 0.992 | 0.026 | 0.003 | 0.492 |
| snp_5pct | 0.965 | 0.063 | 0.014 | 0.485 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| Hyena-tiny | 0.4 | snp_1pct | 0.996 | 0.027 | 0.003 | 0.491 |
| snp_5pct | 0.980 | 0.095 | 0.015 | 0.486 | ||
| snp_10pct | 0.956 | 0.197 | 0.029 | 0.481 | ||
| reverse_comp | 0.775 | 0.064 | 0.013 | 0.435 | ||
| Hyena-tiny-d256 | 1.6 | snp_1pct | 0.996 | 0.027 | 0.004 | 0.495 |
| snp_5pct | 0.982 | 0.082 | 0.019 | 0.491 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| DNABERT-3mer (86.1M) | snp_1pct | 0.910 | 0.013 | 0.014 | 0.473 |
| snp_2pct | 0.835 | 0.009 | 0.024 | 0.454 | |
| snp_5pct | 0.669 | 0.023 | 0.025 | 0.412 | |
| snp_10pct | 0.458 | 0.012 | 0.040 | 0.359 | |
| reverse_comp | 0.733 | 0.020 | 0.044 | 0.428 | |
| DNABERT-4mer (86.2M) | snp_1pct | 0.925 | 0.015 | 0.013 | 0.475 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| DNABERT-2 (117M) | snp_1pct | 0.449 | 0.036 | 0.044 | 0.305 |
| snp_2pct | 0.387 | 0.036 | 0.049 | 0.289 | |
| snp_5pct | 0.283 | 0.036 | 0.048 | 0.263 | |
| snp_10pct | 0.213 | 0.035 | 0.054 | 0.246 | |
| reverse_comp | 0.138 | 0.045 | 0.069 | 0.227 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| DNABERT-3mer (86.1M) | snp_1pct | 0.997 | 0.020 | 0.155 | 0.493 |
| snp_2pct | 0.994 | 0.052 | 0.306 | 0.492 | |
| snp_5pct | 0.983 | 0.152 | 0.777 | 0.490 | |
| snp_10pct | 0.951 | 0.323 | 1.643 | 0.482 | |
| reverse_comp | 0.977 | 0.076 | 0.462 | 0.488 | |
| DNABERT-4mer (86.2M) | snp_1pct | 0.997 | 0.028 | 0.152 | 0.487 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| DNABERT-2 (117M) | snp_1pct | 0.540 | 0.034 | 0.043 | 0.357 |
| snp_2pct | 0.473 | 0.026 | 0.075 | 0.340 | |
| snp_5pct | 0.349 | 0.043 | 0.136 | 0.309 | |
| snp_10pct | 0.280 | 0.080 | 0.221 | 0.292 | |
| reverse_comp | 0.377 | 0.059 | 0.165 | 0.316 |
| Model | Size (M) | Data | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|---|
| GPN-Brass. | 65.6 | Synthetic | snp_1pct | 0.997 | 0.023 | 0.076 | 0.498 |
| snp_5pct | 0.982 | 0.041 | 0.372 | 0.494 | |||
| snp_10pct | 0.959 | 0.074 | 0.723 | 0.488 | |||
| reverse_comp | 0.957 | 0.067 | 0.586 | 0.488 | |||
| PhyloGPN | 83.2 | Real chr22 | snp_1pct | 0.952 | 0.028 | 0.310 | 0.482 |
| snp_5pct | 0.815 | 0.024 | 1.583 | 0.448 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| SaProt-35M | 33.9 | aa_sub_1pct | 0.962 | 0.015 | 0.003 | 0.465 |
| aa_sub_2pct | 0.927 | 0.021 | 0.005 | 0.456 | ||
| aa_sub_5pct | 0.825 | 0.021 | 0.005 | 0.431 | ||
| aa_sub_10pct | 0.691 | 0.014 | 0.008 | 0.397 | ||
| reverse | 0.818 | 0.017 | 0.007 | 0.429 | ||
| SaProt-650M | 652.1 | aa_sub_1pct | 0.936 | 0.020 | 0.006 | 0.475 |
| Model | Size (M) | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|---|
| SaProt-35M | 33.9 | aa_sub_1pct | 0.976 | 0.027 | 0.003 | 0.473 |
| aa_sub_5pct | 0.864 | 0.032 | 0.005 | 0.446 | ||
| aa_sub_10pct | 0.751 | 0.035 | 0.008 | 0.417 | ||
| reverse | 0.848 | 0.021 | 0.006 | 0.442 | ||
| SaProt-650M | 652.1 | aa_sub_1pct | 0.954 | 0.024 | 0.005 | 0.480 |
| aa_sub_5pct | 0.786 | 0.023 | 0.011 | 0.439 |
| Seq. Length | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| L100 | aa_sub_1pct | 0.884 | 0.278 | 0.468 | |
| aa_sub_2pct | 0.776 | 0.175 | 0.446 | ||
| aa_sub_5pct | 0.657 | 0.098 | 0.413 | ||
| aa_sub_10pct | 0.489 | 0.242 | 0.371 | ||
| reverse | 0.020 | 0.057 | 0.255 | ||
| L200 | aa_sub_1pct | 0.844 | 0.011 | 0.462 |
| Length Bin | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| 50–150 | aa_sub_1pct | 0.873 | 0.121 | 0.467 | |
| aa_sub_2pct | 0.783 | 0.089 | 0.445 | ||
| aa_sub_5pct | 0.617 | 0.132 | 0.402 | ||
| aa_sub_10pct | 0.446 | 0.778 | 0.361 | ||
| reverse | 0.014 | 0.286 | 0.246 | ||
| 151–250 | aa_sub_1pct | 0.879 | 0.101 | 0.470 |
| Seq. Length | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| L100 | aa_sub_1pct | 0.824 | 0.034 | 0.019 | 0.441 |
| aa_sub_2pct | 0.713 | 0.036 | 0.028 | 0.413 | |
| aa_sub_5pct | 0.534 | 0.056 | 0.042 | 0.368 | |
| aa_sub_10pct | 0.352 | 0.053 | 0.036 | 0.323 | |
| reverse | 0.253 | 0.042 | 0.045 | 0.298 | |
| L200 | aa_sub_1pct | 0.847 | 0.020 | 0.015 | 0.450 |
| Length Bin | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite | |
|---|---|---|---|---|---|---|
| 50–150 | 80198 | aa_sub_1pct | 0.996 | 0.013 | 0.066 | 0.436 |
| aa_sub_2pct | 0.995 | 0.017 | 0.100 | 0.435 | ||
| aa_sub_5pct | 0.983 | 0.060 | 0.298 | 0.432 | ||
| aa_sub_10pct | 0.948 | 0.145 | 0.648 | 0.423 | ||
| reverse | 0.394 | 0.847 | 4.155 | 0.285 | ||
| 151–250 | 90351 | aa_sub_1pct | 0.999 | 0.017 | 0.051 | 0.431 |
| Domain | Model | Size (M) | Mean Composite | Regime |
| Protein | ESM2-8M | 7.5 | 0.431 | Brittle Glass |
| ESM2-35M | 33.5 | 0.406 | Brittle Glass | |
| SaProt-35M | 33.9 | 0.436 | Brittle Glass | |
| ProtMamba | 107.7 | 0.381 | Geometric Vacuity | |
| ESM2-150M | 148.1 | 0.388 | Brittle Glass | |
| ESM2-650M | 651.0 | 0.360 | Brittle Glass |
| Checkpoint | Context | Accuracy | from 8K |
|---|---|---|---|
| Evo2-7B-8K | 8,192 | – | |
| Evo2-7B-262K | 262,144 | ||
| Evo2-7B-1M | 1,048,576 |
| Length | Signal % | Accuracy | Verdict |
|---|---|---|---|
| 100 | 50% | Uninformative | |
| 200 | 25% | Uninformative | |
| 400 | 12.5% | Uninformative | |
| 800 | 6.25% | Uninformative |
| Length | Signal % | Accuracy | from L=100 |
|---|---|---|---|
| 100 | 50% | – | |
| 200 | 25% | ||
| 400 | 12.5% | ||
| 800 | 6.25% |
| Length | Linear | MLP | MLP-Wide | (best) |
|---|---|---|---|---|
| 100 | ||||
| 200 | ||||
| 400 | ||||
| 800 |
| Length | Linear | MLP | MLP-Wide | (best) |
|---|---|---|---|---|
| 100 | ||||
| 200 | ||||
| 400 | ||||
| 800 |
| Architecture | Model | Linear | Best MLP | Diagnosis |
|---|---|---|---|---|
| Transformer | OpenFold | Linear encoding | ||
| SSM | ProtMamba | Uninformative |
| Architecture | Model | Ratio (RC/Rev) | Reduction % |
|---|---|---|---|
| Transformer | ESM2-8M | ||
| Transformer | ESM2-650M | ||
| Transformer | ESM2-3B | ||
| Transformer | ESM2-15B | ||
| Transformer | DNABERT-3mer | ||
| Transformer | DNABERT-6mer |
| Checkpoint | Perturbation | Agreement | KL (nats) |
|---|---|---|---|
| Evo2-7B-8K | SNP 1% | 0.853 | 0.0024 |
| Evo2-7B-8K | SNP 5% | 0.677 | 0.0082 |
| Evo2-7B-8K | SNP 10% | 0.590 | 0.0128 |
| Evo2-7B-8K | RC | 0.276 | 0.0342 |
| Evo2-7B-262K | SNP 1% | 0.849 | 0.0027 |
| Evo2-7B-262K | SNP 5% | 0.685 | 0.0085 |
| Model | Perturbation | RDM Sim. | Pert. Stab. | Pert. Mag. | Composite |
|---|---|---|---|---|---|
| Baseline | SNP 1% | 0.113 | 0.038 | 0.124 | 0.194 |
| RCCR | SNP 1% | 0.050 | 0.040 | 0.000 | 0.250 |
| Baseline | SNP 2% | 0.081 | 0.039 | 0.118 | 0.186 |
| RCCR | SNP 2% | 0.054 | 0.042 | 0.000 | 0.251 |
| Baseline | SNP 5% | 0.054 | 0.041 | 0.127 | 0.179 |
| RCCR | SNP 5% | 0.032 | 0.035 | 0.000 | 0.245 |
| Regime | Model | Context / Length | Excess MI (nats) |
| I – Decoupling | Evo 2 (global) | 8192 bp | |
| Evo 2 (local 500) | 128 bp | ||
| Evo 2 (local 2000) | 128 bp | ||
| Evo 2 (local 4000) | 128 bp | ||
| II – Compression | ESM-1b | L=100 | |
| ESM-1b | L=200 |
| Condition | What it preserves | RC RDM | RC Composite | Recovery |
|---|---|---|---|---|
| Real chr22 | Everything (in-distribution) | 0.873 | 0.469 | 100% |
| Dinuc-shuffled real | Exact per-sequence -mer counts | 0.858 | 0.464 | 97% |
| Texture-matched Markov | Population-level dinuc. distribution | 0.167 | 0.292 | 3% |
| Pure random | Nothing | 0.139 | 0.287 | 0% |
Neural Representation Geometry
Neural representation geometry studies how learned features are arranged and how that structure relates to model behavior and performance.
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