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Yihang Wang

Yihang Wang contributes to research discovery and scholarly infrastructure.

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Published work

2 published item(s)

preprint2026arXiv

MOSAIC: Module Discovery via Sparse Additive Identifiable Causal Learning for Scientific Time Series

Causal representation learning (CRL) seeks to recover latent variables with identifiability guarantees, typically up to permutation and component-wise reparameterization under appropriate assumptions. However, identifiability does not imply interpretability: latent semantics are typically assigned post hoc by alignment with known ground-truth factors. This limitation is particularly acute in scientific time series, where underlying mechanisms are unknown and discovering interpretable structure is a primary goal. In contrast, scientific observations (such as residue-pair distances, climate indices, or process sensors) are inherently semantic, as they correspond to named physical quantities. This raises a key question: can the interpretability of observations be transferred to the identifiable latent space? We propose MOSAIC (Module discovery via Sparse Additive Identifiable Causal learning), a sparse temporal VAE that integrates temporal CRL identifiability with support recovery over observed variables. MOSAIC identifies latent variables via regime-conditioned temporal variation, and recovers for each latent a sparse set of associated observations through an additive decoder, yielding module-level interpretability. We show that ANOVA main-effect supports are identifiable under general smooth mixing functions, and provide finite-sample recovery guarantees for a tractable sparse-additive variant. Empirically, MOSAIC recovers domain-consistent variable groups across RNA molecular dynamics, solar wind, ENSO climate, the Tennessee Eastman process, and a synthetic tokamak benchmark, enabling interpretable discovery of latent mechanisms in scientific time series.

preprint2020arXiv

Understanding the role of predictive time delay and biased propagator in RAVE

In this work, we revisit our recent iterative machine learning (ML) -- molecular dynamics (MD) technique "Reweighted autoencoded variational Bayes for enhanced sampling (RAVE)" (Ribeiro, Bravo, Wang, Tiwary, J. Chem. Phys. 149 072301 (2018) and Wang, Ribeiro, Tiwary, Nature Commun. 10 3573 (2019)) and analyze as well as formalize some of its approximations. These including: (a) the choice of a predictive time-delay, or how far into the future should the ML try to predict the state of a given system output from MD, and (b) for short time-delays, how much of an error is made in approximating the biased propagator for the dynamics as the unbiased propagator. We demonstrate through a master equation framework as to why the exact choice of time-delay is irrelevant as long as a small non-zero value is adopted. We also derive a correction to reweight the biased propagator, and somewhat to our dissatisfaction but also to our reassurance, find that it barely makes a difference to the intuitive picture we had previously derived and used.