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Benchmarking Structural Inference Methods for Interacting Dynamical Systems with Synthetic Data

NeurIPS 2024 · Probabilistic and scientific modeling › Dynamical systems · approach: State-space inference for stochastic systems · 2 citations (OpenAlex)

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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

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use multi-dimensional trajectories rather than one-dimensional trajectoriesNRI · GCNAUROC: 46.35% higher AUROCHelped
Use multi-dimensional trajectories rather than one-dimensional trajectoriesACD · LNAUROC: 34.30% increaseHelped
Increase graph size from 15 to 100 nodesDeep learning methods · DoSI, SpringsAUROC: 7.94%Hurt
Increase graph size from 15 to 100 nodesppcor · DoSI, graph-size scalabilityAUROC: 0.71%Hurt
Add Gaussian noise to trajectoriesTIGRESS, CLR, and PIDC · BN trajectoriesAUROCNo clear effect
Add Gaussian noise to trajectoriesDeep learning methods · BN trajectoriesAUROCHurt
Use trajectories from sparser graphs with longer average shortest path lengthStructural inference methods · DoSI interaction graphsAUROCHelped
Infer two distinct edge types rather than a single edge typeDeep learning methods · Charged ParticlesAUROCHurt

Surprising findings

Limitations

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

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