Chirality is a fundamental molecular property that governs stereospecific behavior in chemistry and biology. Capturing chirality in machine learning models remains challenging due to the geometric complexity of stereochemical relationships and the limitations of traditional molecular representations that often lack explicit stereochemical encoding. Existing approaches to chiral molecular representation primarily focus on central chirality, relying on handcrafted stereochemical tags or limited 3D encodings, and thus fail to generalize to more complex forms such as axial chirality. In this […]

Ver mais

arXiv:2603.12450v1 Announce Type: new Abstract: Organisations overwhelmingly prioritize vulnerability remediation using Common Vulnerability Scoring System (CVSS) severity scores, yet CVSS classifiers achieve an Area Under the Precision-Recall Curve (AUPRC) of 0.011 on real-world exploitation data, near random chance. We propose a composite Key Risk Indicator grounded in expected-loss decomposition, integrating dimensions of threat, impact, and exposure. We evaluated the KRI framework against the Known Exploited Vulnerabilities (KEV) catalog using a comprehensive dataset of 280,694 Common Vulnerabilities and Exposures […]

Ver mais

arXiv:2602.22293v1 Announce Type: new Abstract: River systems operate as inherently interconnected continuous networks, meaning river hydrodynamic simulation ought to be a systemic process. However, widespread hydrology data scarcity often restricts data-driven forecasting to isolated predictions. To achieve systemic simulation and reduce reliance on river observations, we present GraphRiverCast (GRC), a topology-informed AI foundation model designed to simulate multivariate river hydrodynamics in global river systems. GRC is capable of operating in a “ColdStart” mode, generating predictions without relying on […]

Ver mais

arXiv:2501.15910v3 Announce Type: replace-cross Abstract: We study the sample complexity of online reinforcement learning in the general hzyrev{non-episodic} setting of nonlinear dynamical systems with continuous state and action spaces. Our analysis accommodates a large class of dynamical systems ranging from a finite set of nonlinear candidate models to models with bounded and Lipschitz continuous dynamics, to systems that are parametrized by a compact and real-valued set of parameters. In the most general setting, our algorithm achieves a policy […]

Ver mais

Hub is an open-source documentation platform that turns your folder structure into navigation. It helps developers and teams publish technical content with rich Markdown features, interactive components, and built-in content editing.

Ver mais

arXiv:2603.01670v1 Announce Type: cross Abstract: We investigate the limiting behavior of discrete determinantal point processes (DPPs) towards continuous DPPs when the size of the set to sample from goes to infinity. We propose a non-asymptotic characterization of this limit in terms of the concentration of statistics associated to these processes, which we refer to as “weak coherency”. This allows to translate statistical guarantees from the limiting process to the original, discrete one. Our main result describes sufficient conditions […]

Ver mais

arXiv:2601.13102v2 Announce Type: replace Abstract: Full conformal prediction is a framework that implicitly formulates distribution-free confidence prediction regions for a wide range of estimators. However, a classical limitation of the full conformal framework is the computation of the confidence prediction regions, which is usually impossible since it requires training infinitely many estimators (for real-valued prediction for instance). The main purpose of the present work is to describe a generic strategy for designing a tight approximation to the full […]

Ver mais

A reliable reward model is essential for aligning large language models with human preferences through reinforcement learning from human feedback. However, standard reward models are susceptible to spurious features that are not causally related to human labels. This can lead to reward hacking, where high predicted reward does not translate into better behavior. In this work, we address this problem from a causal perspective by proposing a factored representation learning framework that decomposes the model’s contextual embedding into […]

Ver mais