arXiv:2303.15604v2 Announce Type: replace-cross Abstract: Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying “hit” molecules from a large collection of…
arXiv:2506.08916v2 Announce Type: replace Abstract: Agent-based modeling (ABM) is a powerful tool for understanding self-organizing biological systems, but it is computationally intensive and often not analytically tractable. Equation learning (EQL) methods can derive continuum models from ABM data, but they…
arXiv:2511.09211v3 Announce Type: replace Abstract: Clustering is a fundamental task in unsupervised learning, but most existing methods heavily rely on hyperparameters such as the number of clusters or other sensitive settings, limiting their applicability in real-world scenarios. To address this…
arXiv:2603.23205v1 Announce Type: cross Abstract: Standard conformal anomaly detection provides marginal finite-sample guarantees under the assumption of exchangeability . However, real-world data often exhibit distribution shifts, necessitating a weighted conformal approach to adapt to local non-stationarity. We show that this…
arXiv:2406.07598v5 Announce Type: replace Abstract: We consider achieving equivariance in machine learning systems via frame averaging. Current frame averaging methods involve a costly sum over large frames or rely on sampling-based approaches that only yield approximate equivariance. Here, we propose…
arXiv:2603.22304v1 Announce Type: new Abstract: Vector Quantization (VQ) has become the cornerstone of tokenization for many multimodal Large Language Models and diffusion synthesis. However, existing VQ paradigms suffer from a fundamental conflict: they enforce discretization before the encoder has captured…
arXiv:2603.20328v2 Announce Type: replace-cross Abstract: Social insect colonies and ensemble machine learning methods represent two of the most successful examples of decentralized information processing in nature and computation respectively. Here we develop a rigorous mathematical framework demonstrating that ant colony…
arXiv:2603.22302v1 Announce Type: new Abstract: With the development of information technology, the application of artificial intelligence and machine learning in the field of education shows great potential. This study aims to explore how to utilize K-means clustering algorithm to provide…
arXiv:2603.22303v1 Announce Type: new Abstract: Hallucinations in large language models (LLMs) remain a central obstacle to trustworthy deployment, motivating detectors that are accurate, lightweight, and broadly applicable. Since an LLM with a prompt defines a conditional distribution, we argue that…
arXiv:2603.22301v1 Announce Type: new Abstract: Large Language Models (LLMs) perform internal computations in continuous vector spaces yet produce discrete tokens — a fundamental mismatch whose geometric consequences remain poorly understood. We develop a mathematical framework that interprets LLM hidden states…
