Paper List
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A Theoretical Framework for the Formation of Large Animal Groups: Topological Coordination, Subgroup Merging, and Velocity Inheritance
This paper addresses the core problem of how large, coordinated animal groups form in nature, challenging the classical view of gradual aggregation by...
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CONFIDE: Hallucination Assessment for Reliable Biomolecular Structure Prediction and Design
This paper addresses the critical limitation of current protein structure prediction models (like AlphaFold3) where high-confidence scores (pLDDT) can...
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Generative design and validation of therapeutic peptides for glioblastoma based on a potential target ATP5A
This paper addresses the critical bottleneck in therapeutic peptide design: how to efficiently optimize lead peptides with geometric constraints while...
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Pharmacophore-based design by learning on voxel grids
This paper addresses the computational bottleneck and limited novelty in conventional pharmacophore-based virtual screening by introducing a voxel cap...
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Human-Centred Evaluation of Text-to-Image Generation Models for Self-expression of Mental Distress: A Dataset Based on GPT-4o
This paper addresses the critical gap in evaluating how AI-generated images can effectively support cross-cultural mental distress communication, part...
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ANNE Apnea Paper
This paper addresses the core challenge of achieving accurate, event-level sleep apnea detection and characterization using a non-intrusive, multimoda...
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DeeDeeExperiment: Building an infrastructure for integrating and managing omics data analysis results in R/Bioconductor
This paper addresses the critical bottleneck of managing and organizing the growing volume of differential expression and functional enrichment analys...
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Cross-Species Antimicrobial Resistance Prediction from Genomic Foundation Models
This paper addresses the core challenge of predicting antimicrobial resistance across phylogenetically distinct bacterial species, where traditional m...
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.