Paper List
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Nyxus: A Next Generation Image Feature Extraction Library for the Big Data and AI Era
This paper addresses the core pain point of efficiently extracting standardized, comparable features from massive (terabyte to petabyte-scale) biomedi...
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Topological Enhancement of Protein Kinetic Stability
This work addresses the long-standing puzzle of why knotted proteins exist by demonstrating that deep knots provide a functional advantage through enh...
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A Multi-Label Temporal Convolutional Framework for Transcription Factor Binding Characterization
This paper addresses the critical limitation of existing TF binding prediction methods that treat transcription factors as independent entities, faili...
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Social Distancing Equilibria in Games under Conventional SI Dynamics
This paper solves the core problem of proving the existence and uniqueness of Nash equilibria in finite-duration SI epidemic games, showing they are a...
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Binding Free Energies without Alchemy
This paper addresses the core bottleneck of computational expense in Absolute Binding Free Energy calculations by eliminating the need for numerous al...
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SHREC: A Spectral Embedding-Based Approach for Ab-Initio Reconstruction of Helical Molecules
This paper addresses the core bottleneck in cryo-EM helical reconstruction: eliminating the dependency on accurate initial symmetry parameter estimati...
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Budget-Sensitive Discovery Scoring: A Formally Verified Framework for Evaluating AI-Guided Scientific Selection
This paper addresses the critical gap in evaluating AI-guided scientific selection strategies under realistic budget constraints, where existing metri...
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Probabilistic Joint and Individual Variation Explained (ProJIVE) for Data Integration
This paper addresses the core challenge of accurately decomposing shared (joint) and dataset-specific (individual) sources of variation in multi-modal...
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.