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When is an Embedding Model More Promising than Another?

NeurIPS 2024 · Label-efficient and robust learning › Self-supervised and contrastive · approach: Invariance-based self-supervised learning · 0 citations (OpenAlex)

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Proposes an information-sufficiency score, derived from Le Cam deficiency and statistical experiment comparison, to rank embedding models pairwise without labeled downstream data, validated on NLP (MTEB) and molecular ADMET tasks.

Problem

Evaluating and ranking embedding models usually requires training downstream models on labeled tasks, which is costly and not scalable; a standardized, label-free way to compare embedders is lacking.

Approach

Casts embedder comparison as comparing statistical experiments: uses sufficiency, informativeness and Le Cam's deficiency, and makes them tractable via an information sufficiency (IS) score estimated with learned Gaussian-mixture Markov kernels on unlabeled data, taking the median IS of each embedder against all others as its rank score.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use the information sufficiency score to rank text embeddersText embedding models · MTEBSpearman correlation with average benchmark score: 0.90Helped
Use the information sufficiency score to rank text embeddersText embedding models · MTEBPearson correlation with average benchmark score: 0.94Helped
Use the information sufficiency score to rank molecular embeddersMolecular embedding models · ADMET tasksSpearman ranking correlation: 0.95Helped
Use the information sufficiency score to rank molecular embeddersMolecular embedding models · ADMET tasksKendall-Tau coefficient: 0.80Helped
Use the information sufficiency score to rank molecular embeddersMolecular embedding models · Molecular downstream tasks (31 tasks)Spearman ranking correlation: 0.94Helped
Increase molecular model size to GPT-1.2BGPT molecular embedder · ZINC 250kInformation sufficiency scoreHelped
Use attribute masking or context prediction objectives for 2D-GNN pretrainingMolecular 2D-GNN embedders · ADMET tasksDownstream task performanceHurt

Surprising findings

Limitations

Experimental setup

Datasets: MTEB datasets (banking77, sickr-sts, amazon_polarity, snli, imdb, ag_news, sst2, tweet_eval, paws-x, rotten_tomatoes) ZINC 250k Therapeutic Data Commons ADMET tasks (31 tasks)

Benchmarks: MTEB Therapeutic Data Commons ADMET

Metrics: Spearman correlation Pearson correlation Kendall-tau

Baselines: MTEB leaderboard downstream performance randomly initialized GNN

Builds on: Le Cam deficiency Blackwell sufficiency Körner-Marton less noisy ordering MTEB

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