Safetensors
English
biology
dna
protein
laya
File size: 7,599 Bytes
d35dd87
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
"""Inference-only development diagnostics; original labels are reference labels.

Residue shuffling is an out-of-distribution intervention, not a label-preserving
biological transformation. Original calibration temperatures remain fixed.
"""
from __future__ import annotations
import argparse
from collections import Counter
import gc
import hashlib
import json
from pathlib import Path
import random

import numpy as np
import torch

import laya_formal_experiment as core
from laya_direct_bpe import DirectBPE, digest
from laya_direct_experiment import make_items

ROOT=core.ROOT
SEEDS=(20260922,20260923,20260924)


def perturbed(row,variant):
    row=dict(row)
    if variant=='sequence_removed':row['sequence']=''
    elif variant.startswith('residue_shuffle_'):
        raw=row['sequence'];characters=list(raw)
        seed=int.from_bytes(hashlib.sha256(f"diagnostic-v1:{variant}:{row['id']}".encode()).digest()[:8],'big')
        random.Random(seed).shuffle(characters)
        row['sequence']=''.join(characters)
        if Counter(raw)!=Counter(row['sequence']):raise ValueError('Shuffle changed residue composition')
    return row


def permutation(row):
    order=list(range(len(row['choices'])))
    seed=int.from_bytes(hashlib.sha256(f"candidate-diagnostic-v1:{row['id']}".encode()).digest()[:8],'big')
    random.Random(seed).shuffle(order)
    if order==list(range(len(order))):order=order[1:]+order[:1]
    return order


def canonicalize(records,orders):
    result=[]
    for record in records:
        order=orders[record['id']]
        logits=[0.]*len(order)
        for position,canonical in enumerate(order):logits[canonical]=record['logits'][position]
        item=dict(record,logits=logits,label=order[record['label']])
        values=np.asarray(logits,dtype=float);exponent=np.exp(values-values.max())
        item['probs']=(exponent/exponent.sum()).tolist()
        result.append(item)
    return result


def compare(reference,changed):
    if [(r['id'],r['label'],r['task']) for r in reference]!=[(r['id'],r['label'],r['task']) for r in changed]:
        raise ValueError('Diagnostic membership/labels changed')
    out={}
    for task in sorted({r['task'] for r in reference}):
        pairs=[(a,b) for a,b in zip(reference,changed) if a['task']==task]
        p=np.asarray([a['probs'] for a,b in pairs]);q=np.asarray([b['probs'] for a,b in pairs])
        if not np.isfinite(p).all() or not np.isfinite(q).all():raise FloatingPointError('Non-finite diagnostic')
        middle=(p+q)/2
        js=.5*np.sum(p*np.log(np.maximum(p,1e-300)/np.maximum(middle,1e-300))+
                     q*np.log(np.maximum(q,1e-300)/np.maximum(middle,1e-300)),axis=1)
        out[task]={'n':len(pairs),'prediction_agreement':float((p.argmax(1)==q.argmax(1)).mean()),
                   'mean_probability_l1':float(np.abs(p-q).sum(1).mean()),
                   'mean_max_probability_difference':float(np.abs(p-q).max(1).mean()),
                   'mean_js_divergence':float(js.mean())}
    return out


def run_one(run_dir,out,batch_size=16):
    if (out/'summary.json').exists():return json.loads((out/'summary.json').read_text())
    saved=json.loads((run_dir/'summary.json').read_text())
    if not saved['formal'] or saved['test_access'] or not saved['checkpoint_reload_logits_match']:
        raise ValueError('Source checkpoint failed protocol gate')
    rep=DirectBPE(run_dir/'checkpoint/representation')
    eligible=core.load_eligible_ids(saved['eligible_id_filter'])
    rows=[r for r in core.load_split(ROOT/'artifacts/laya_formal_data','both','selection_dev') if r['id'] in eligible]
    _,build_model,builder=core.import_laya('vendor/laya')
    cfg=json.loads((run_dir/'checkpoint/rl_agent_config.json').read_text())
    model=core.fresh_reload(run_dir/'checkpoint',cfg,build_model,torch.device('cuda'))
    tokenizer=rep.expanded if saved['condition']=='full_bpe' else rep.base
    base_items=make_items(rows,rep,saved['condition'],builder,saved['seed'])
    baseline=core.evaluate(model,base_items,tokenizer,torch.device('cuda'),batch_size)
    previous=[json.loads(x) for x in (run_dir/'selection_dev_predictions.jsonl').read_text().splitlines()]
    if len(previous)!=len(baseline) or any(a['id']!=b['id'] or max(abs(x-y) for x,y in zip(a['logits'],b['logits']))>1e-5
                                          for a,b in zip(previous,baseline)):
        raise ValueError('Unperturbed predictions do not reproduce source result')
    temps={t:v['temperature'] for t,v in saved['calibration_temperature'].items()}
    result={'condition':saved['condition'],'seed':saved['seed'],'split':'selection_dev','test_access':False,
            'no_training':True,'reference_labels_not_assumed_valid_under_sequence_intervention':True,
            'source_summary_sha256':digest(run_dir/'summary.json'),
            'baseline_logits_reproduced':True,'temperature_refitted':False,
            'original':{'raw':core.metric_from_records(baseline),'calibrated':core.metric_from_records(baseline,temps)},
            'variants':{}}
    out.mkdir(parents=True,exist_ok=True)
    for variant in ('sequence_removed','residue_shuffle_0','residue_shuffle_1','residue_shuffle_2','candidate_permutation'):
        if variant=='candidate_permutation':
            items=[];orders={}
            for row in rows:
                order=permutation(row);orders[row['id']]=order
                ids,markers=rep.build(row,saved['condition'],builder,order)
                items.append({'ids':ids,'markers':markers,'label':order.index(row['label']),
                              'task':row['task'],'id':row['id']})
            predictions=canonicalize(core.evaluate(model,items,tokenizer,torch.device('cuda'),batch_size),orders)
            unchanged=None
        else:
            changed=[perturbed(row,variant) for row in rows]
            unchanged=sum(a['sequence']==b['sequence'] for a,b in zip(rows,changed))
            items=make_items(changed,rep,saved['condition'],builder,saved['seed'])
            predictions=core.evaluate(model,items,tokenizer,torch.device('cuda'),batch_size)
        result['variants'][variant]={'reference_label_metrics':{'raw':core.metric_from_records(predictions),
                                     'calibrated':core.metric_from_records(predictions,temps)},
                                    'comparison_to_original':compare(baseline,predictions),
                                    'unchanged_sequence_count':unchanged}
        (out/f'{variant}_predictions.jsonl').write_text(''.join(json.dumps(r)+'\n' for r in predictions))
        print(json.dumps({'condition':saved['condition'],'seed':saved['seed'],'variant':variant,
                          'comparison':result['variants'][variant]['comparison_to_original']}),flush=True)
    (out/'summary.json').write_text(json.dumps(result,indent=2)+'\n')
    del model
    gc.collect();torch.cuda.empty_cache()
    return result


def main():
    p=argparse.ArgumentParser(description=__doc__)
    p.add_argument('--output-dir',type=Path,default=ROOT/'artifacts/laya_controls/sequence_diagnostics')
    p.add_argument('--seeds',type=int,nargs='+',default=list(SEEDS))
    p.add_argument('--conditions',nargs='+',choices=['raw','full_bpe'],default=['full_bpe','raw'])
    args=p.parse_args()
    for seed in args.seeds:
        for condition in args.conditions:
            run_one(ROOT/f'artifacts/laya_direct_legacy/{condition}_seed{seed}',
                    args.output_dir/f'{condition}_seed{seed}')
    print('All requested development diagnostics completed.',flush=True)


if __name__=='__main__':main()