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Benchmarking Structural Inference Methods for Interacting Dynamical Systems with Synthetic Data
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Benchmarks 13 structural inference methods (statistics, information theory, tree-based, deep learning) on a new synthetic dataset DoSI (Springs, NetSims, Charged Particles dynamics over 11 graph types) plus a real EMT scRNA-seq dataset, measuring AUROC for accuracy, scalability, and robustness to noise.
Problem
Existing structural inference methods for interacting dynamical systems are domain-specific, evaluated on distinct datasets, and lack a standardized, objective comparison framework.
Approach
Introduce the Dataset for Structural Inference (DoSI), with trajectories generated over 11 types of real-world-inspired interaction graphs and multiple simulators, and use it to evaluate 13 methods from different disciplines under one unified AUROC-based protocol.
Key results
- Deep learning methods (NRI, ACD, MPM, iSIDG, RCSI) outperform on multi-dimensional Springs/NetSims data, e.g., NRI shows 46.35% higher AUROC on gene coexpression networks on the multi-dimensional setting.
- ppcor and TIGRESS show stable performance across graph types and sizes, with ppcor dropping only 0.71% from 15 to 100 nodes.
- Deep learning methods lose at least 7.94% AUROC from 15 to 100 nodes, while information-theory methods like PIDC and Scribe show robustness to Gaussian noise.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use multi-dimensional trajectories rather than one-dimensional trajectories | NRI · GCN | AUROC: 46.35% higher AUROC | Helped |
| Use multi-dimensional trajectories rather than one-dimensional trajectories | ACD · LN | AUROC: 34.30% increase | Helped |
| Increase graph size from 15 to 100 nodes | Deep learning methods · DoSI, Springs | AUROC: 7.94% | Hurt |
| Increase graph size from 15 to 100 nodes | ppcor · DoSI, graph-size scalability | AUROC: 0.71% | Hurt |
| Add Gaussian noise to trajectories | TIGRESS, CLR, and PIDC · BN trajectories | AUROC | No clear effect |
| Add Gaussian noise to trajectories | Deep learning methods · BN trajectories | AUROC | Hurt |
| Use trajectories from sparser graphs with longer average shortest path length | Structural inference methods · DoSI interaction graphs | AUROC | Helped |
| Infer two distinct edge types rather than a single edge type | Deep learning methods · Charged Particles | AUROC | Hurt |
Surprising findings
- PIDC and dynGENIE3 improve on larger graphs, contrary to the general degradation trend.
- Performance correlates positively with average shortest path length and negatively with average degree.
Limitations
- Relies on static graph assumptions; dynamic topologies not covered.
- Deep learning methods not adapted to multi-dimensional Charged Particles data for non-DL methods; only one-dimensional data for statistical, information-theory and tree methods.
- Subsets with more than 100 nodes are not publicly downloadable; only partial dataset released.
Experimental setup
Datasets: DoSI (synthetic Springs, NetSims, Charged Particles trajectories) EMT scRNA-seq dataset (Sha et al. / Cook and Vanderhyden) STRING database ground-truth GRN
Benchmarks: DoSI EMT dataset
Metrics: AUROC delta AUROC under noise
Baselines: ppcor TIGRESS ARACNe CLR PIDC Scribe dynGENIE3 XGBGRN
Builds on: NRI dynGENIE3 GENIE3 ARACNe CLR
Closest papers by meaning
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