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Astrid Klipfel

Astrid Klipfel contributes to research discovery and scholarly infrastructure.

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Published work

2 published item(s)

preprint2026arXiv

A Fast Model Counting Algorithm for Two-Variable Logic with Counting and Modulo Counting Quantifiers

Weighted first-order model counting (WFOMC) is a central task in lifted probabilistic inference: It asks for the weighted sum of all models of a first-order sentence over a finite domain. A long line of work has identified domain-liftable fragments of first-order logic, that is, syntactic classes for which WFOMC can be solved in time polynomial in the domain size. Among them, the two-variable fragment with counting quantifiers, $\mathbf{C}^2$, is one of the most expressive known liftable fragments. Existing algorithms for $\mathbf{C}^2$, however, establish tractability through multi-stage reductions that eliminate counting quantifiers via cardinality constraints, which introduces substantial practical overhead as the domain size grows. In this paper, we introduce IncrementalWFOMC3, a lifted algorithm for WFOMC on $\mathbf{C}^2$ and its modulo counting extension, $\mathbf{C}^2_{\text{mod}}$. Instead of relying on reduction techniques, IncrementalWFOMC3 operates directly on a Scott normal form that retains counting quantifiers throughout inference. This direct treatment yields two main results. First, we derive a tighter data-complexity bound for WFOMC in $\mathbf{C}^2$, reducing the degree of the polynomial from quadratic to linear in the counting parameters. Second, we prove that $\mathbf{C}^2_{\text{mod}}$ is domain-liftable, extending tractability from $\mathbf{C}^2$ to a richer fragment with native modulo counting support. Finally, our empirical evaluation shows that IncrementalWFOMC3 delivers orders-of-magnitude runtime improvements and better scalability than both existing WFOMC algorithms and state-of-the-art propositional model counters.

preprint2025arXiv

A Chemically Grounded Evaluation Framework for Generative Models in Materials Discovery

Generative models hold great promise for accelerating materials discovery, but their evaluation often overlooks the chemical validity and stability requirements crucial to real-world applications. Density Functional Theory (DFT) simulations are the gold standard for evaluating such properties but are computationally intensive and inaccessible to non-experts. We propose a chemically grounded, user-friendly evaluation framework that integrates DFT-based stability analysis with commonly used machine learning (ML) metrics. Through systematic experiments using both perturbative and generative methods, we demonstrate that conventional ML metrics can misrepresent chemical feasibility. To address this, we propose new insights on robust metrics and highlight the importance of simulation-informed evaluation for developing reliable generative models in materials science.