Paper List
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An AI Implementation Science Study to Improve Trustworthy Data in a Large Healthcare System
This paper addresses the critical gap between theoretical AI research and real-world clinical implementation by providing a practical framework for as...
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The BEAT-CF Causal Model: A model for guiding the design of trials and observational analyses of cystic fibrosis exacerbations
This paper addresses the critical gap in cystic fibrosis exacerbation management by providing a formal causal framework that integrates expert knowled...
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Hierarchical Molecular Language Models (HMLMs)
This paper addresses the core challenge of accurately modeling context-dependent signaling, pathway cross-talk, and temporal dynamics across multiple ...
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Stability analysis of action potential generation using Markov models of voltage‑gated sodium channel isoforms
This work addresses the challenge of systematically characterizing how the high-dimensional parameter space of Markov models for different sodium chan...
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Approximate Bayesian Inference on Mechanisms of Network Growth and Evolution
This paper addresses the core challenge of inferring the relative contributions of multiple, simultaneous generative mechanisms in network formation w...
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EnzyCLIP: A Cross-Attention Dual Encoder Framework with Contrastive Learning for Predicting Enzyme Kinetic Constants
This paper addresses the core challenge of jointly predicting enzyme kinetic parameters (Kcat and Km) by modeling dynamic enzyme-substrate interaction...
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Tissue stress measurements with Bayesian Inversion Stress Microscopy
This paper addresses the core challenge of measuring absolute, tissue-scale mechanical stress without making assumptions about tissue rheology, which ...
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DeepFRI Demystified: Interpretability vs. Accuracy in AI Protein Function Prediction
This study addresses the critical gap between high predictive accuracy and biological interpretability in DeepFRI, revealing that the model often prio...
Approximate Bayesian Inference on Mechanisms of Network Growth and Evolution
Harvard T.H. Chan School of Public Health
30秒速读
IN SHORT: This paper addresses the core challenge of inferring the relative contributions of multiple, simultaneous generative mechanisms in network formation when the true likelihood is intractable.
核心创新
- Methodology Proposes an event-wise mixture-of-mechanisms model that assigns generative rules (e.g., Preferential Attachment, Random Attachment) to each edge formation event, rather than to nodes, increasing model flexibility and realism.
- Methodology Introduces a novel GNN-MDN (Graph Neural Network - Mixture Density Network) architecture that automatically learns informative, low-dimensional network embeddings for conditional density estimation, bypassing the need for manually specified summary statistics.
- Theory Formalizes a unified framework that incorporates both growth mechanisms (adding nodes/edges) and evolution mechanisms (modifying existing edges), allowing the model to capture a wider range of network dynamics like triangle formation.
主要结论
- The proposed GNN-MDN method provides valid approximate Bayesian inference, demonstrated via simulation studies showing that the 95% credible intervals achieve nominal coverage (e.g., containing the true parameter values).
- The event-wise model successfully infers dominant mechanisms in simulated scenarios; for instance, it accurately recovers a weight vector of (0.95, 0.025, 0.025) for a scenario where Preferential Attachment is the primary growth mechanism.
- The method is applicable to real-world networks, providing interpretable decompositions of their formation processes into quantifiable contributions from mechanisms like Random Attachment, Preferential Attachment, and Triangle Formation.
摘要: Mechanistic models can provide an intuitive and interpretable explanation of network growth by specifying a set of generative rules. These rules can be defined by domain knowledge about real-world mechanisms governing network growth or may be designed to facilitate the appearance of certain network motifs. In the formation of real-world networks, multiple mechanisms may be simultaneously involved; it is then important to understand the relative contribution of each of these mechanisms. In this paper, we propose the use of a conditional density estimator, augmented with a graph neural network, to perform inference on a flexible mixture of network-forming mechanisms. This event-wise mixture-of-mechanisms model assigns mechanisms to each edge formation event rather than stipulating node-level mechanisms, thus allowing for an explanation of the network generation process, as well as the dynamic evolution of the network over time. We demonstrate that our approximate Bayesian approach yields valid inferences for the relative weights of the mechanisms in our model, and we utilize this method to investigate the mechanisms behind the formation of a variety of real-world networks.