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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.01541 |
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| _version_ | 1866918134832693248 |
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| author | Khanna, Smayan Gökmen, Doruk Efe Kondor, Risi Vitelli, Vincenzo |
| author_facet | Khanna, Smayan Gökmen, Doruk Efe Kondor, Risi Vitelli, Vincenzo |
| contents | Graph Contrastive Learning (GCL) has emerged as a leading paradigm for self-supervised learning on graphs, with strong performance reported on standardized datasets and growing applications ranging from genomics to drug discovery. We ask a basic question: does GCL actually outperform untrained baselines? We find that GCL's advantage depends strongly on dataset size and task difficulty. On standard datasets, untrained Graph Neural Networks (GNNs), simple multilayer perceptrons, and even handcrafted statistics can rival or exceed GCL. On the large molecular dataset ogbg-molhiv, we observe a crossover: GCL lags at small scales but pulls ahead beyond a few thousand graphs, though this gain eventually plateaus. On synthetic datasets, GCL accuracy approximately scales with the logarithm of the number of graphs and its performance gap (compared with untrained GNNs) varies with respect to task complexity. Moving forward, it is crucial to identify the role of dataset size in benchmarks and applications, as well as to design GCL algorithms that avoid performance plateaus. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_01541 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Graph Contrastive Learning versus Untrained Baselines: The Role of Dataset Size Khanna, Smayan Gökmen, Doruk Efe Kondor, Risi Vitelli, Vincenzo Machine Learning Soft Condensed Matter Graph Contrastive Learning (GCL) has emerged as a leading paradigm for self-supervised learning on graphs, with strong performance reported on standardized datasets and growing applications ranging from genomics to drug discovery. We ask a basic question: does GCL actually outperform untrained baselines? We find that GCL's advantage depends strongly on dataset size and task difficulty. On standard datasets, untrained Graph Neural Networks (GNNs), simple multilayer perceptrons, and even handcrafted statistics can rival or exceed GCL. On the large molecular dataset ogbg-molhiv, we observe a crossover: GCL lags at small scales but pulls ahead beyond a few thousand graphs, though this gain eventually plateaus. On synthetic datasets, GCL accuracy approximately scales with the logarithm of the number of graphs and its performance gap (compared with untrained GNNs) varies with respect to task complexity. Moving forward, it is crucial to identify the role of dataset size in benchmarks and applications, as well as to design GCL algorithms that avoid performance plateaus. |
| title | Graph Contrastive Learning versus Untrained Baselines: The Role of Dataset Size |
| topic | Machine Learning Soft Condensed Matter |
| url | https://arxiv.org/abs/2509.01541 |