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Graph Data Modeling: Molecules, Proteins, & Chemical Processes

Graph Data Modeling: Molecules, Proteins, & Chemical Processes arXiv:2508.19356v1 Announce Type: new Abstract: Graphs are central to the chemical sciences, providing a natural language to describe molecules, proteins, reactions, and industrial processes. They capture interactions and structures that underpin materials,…

Memorization in Graph Neural Networks

Memorization in Graph Neural Networks arXiv:2508.19352v1 Announce Type: new Abstract: Deep neural networks (DNNs) have been shown to memorize their training data, yet similar analyses for graph neural networks (GNNs) remain largely under-explored. We introduce NCMemo (Node Classification Memorization), the…

Efficient Multi-Source Knowledge Transfer by Model Merging

Efficient Multi-Source Knowledge Transfer by Model Merging arXiv:2508.19353v1 Announce Type: new Abstract: While transfer learning is an advantageous strategy, it overlooks the opportunity to leverage knowledge from numerous available models online. Addressing this multi-source transfer learning problem is a promising…

Re:Frame — Retrieving Experience From Associative Memory

Re:Frame — Retrieving Experience From Associative Memory arXiv:2508.19344v1 Announce Type: new Abstract: Offline reinforcement learning (RL) often deals with suboptimal data when collecting large expert datasets is unavailable or impractical. This limitation makes it difficult for agents to generalize and…

POT: Inducing Overthinking in LLMs via Black-Box Iterative Optimization

POT: Inducing Overthinking in LLMs via Black-Box Iterative Optimization arXiv:2508.19277v1 Announce Type: new Abstract: Recent advances in Chain-of-Thought (CoT) prompting have substantially enhanced the reasoning capabilities of large language models (LLMs), enabling sophisticated problem-solving through explicit multi-step reasoning traces. However,…

Unfolding AlphaFold’s Bayesian Roots in Probability Kinematics

Unfolding AlphaFold's Bayesian Roots in Probability Kinematics arXiv:2505.19763v2 Announce Type: replace Abstract: We present a novel theoretical interpretation of AlphaFold1 that reveals the potential of generalized Bayesian updating for probabilistic deep learning. The seminal breakthrough of AlphaFold1 in protein structure…