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arXiv:2604.07513v1 Announce Type: new Abstract: AI-based persona simulation — often referred to as digital twin simulation — is increasingly used for market research, recommender systems, and social sciences. Despite their flexibility, large language models (LLMs) often exhibit systematic bias and miscalibration relative to real human behavior, limiting their reliability. Inspired by synthetic control methods from causal inference, we propose SYN-DIGITS (SYNthetic Control Framework for Calibrated DIGItal Twin Simulation), a principled and lightweight calibration framework that learns latent structure […]

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arXiv:2604.07512v1 Announce Type: new Abstract: We introduce a semi-autonomous discovery system in which multi-modal AI agents function as a multi-disciplinary discovery team, acting as computational chemists, medicinal chemists, and patent agents, writing and executing analysis code, visually evaluating molecular candidates, assessing patentability, and adapting generation strategy from empirical screening feedback, while r1, a 246M-parameter Graph Neural Network (GNN) trained on 800M molecules, generates novel chemical matter directly on molecular graphs. Agents executed two campaigns in oncology (BCL6, EZH2), […]

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arXiv:2604.07506v1 Announce Type: new Abstract: Reward Models (RMs) are critical components in the Reinforcement Learning from Human Feedback (RLHF) pipeline, directly determining the alignment quality of Large Language Models (LLMs). Recently, Generative Reward Models (GRMs) have emerged as a superior paradigm, offering higher interpretability and stronger generalization than traditional scalar RMs. However, existing methods for GRMs focus primarily on outcome-level supervision, neglecting analytical process quality, which constrains their potential. To address this, we propose ReflectRM, a novel GRM […]

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arXiv:2604.07502v1 Announce Type: new Abstract: For six decades, software engineering principles have been optimized for a single consumer: the human developer. The rise of agentic AI development, where LLM-based agents autonomously read, write, navigate, and debug codebases, introduces a new primary consumer with fundamentally different constraints. This paper presents a systematic analysis of human-centric conventions under agentic pressure and proposes a key design principle: semantic density optimization, eliminating tokens that carry zero information while preserving tokens that carry […]

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arXiv:2604.07496v1 Announce Type: new Abstract: The theory of uninterpreted functions is a key modeling tool for systems with unknown or abstracted components. Some domains such as systems biology impose further restrictions regarding monotonicity on these components, requiring specific inputs to have a consistently positive or negative effect on the output. In this paper, we tackle the model inference problem for biological systems by applying the theory of uninterpreted functions with monotonicity constraints. We compare the performance of naive […]

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arXiv:2604.07494v1 Announce Type: new Abstract: Context: AI coding agents route every task to a single frontier large language model (LLM), paying premium inference cost even when many tasks are routine. Objectives: We propose Triage, a framework that uses code health metrics — indicators of software maintainability — as a routing signal to assign each task to the cheapest model tier whose output passes the same verification gate as the expensive model. Methods: Triage defines three capability tiers (light, […]

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arXiv:2604.07493v1 Announce Type: new Abstract: Epidemiologic studies of infectious diseases often rely on models of contact networks to capture the complex interactions that govern disease spread, and ongoing projects aim to vastly increase the scale at which such data can be collected. However, contact networks may include sensitive information, such as sexual relationships or drug use behavior. Protecting individual privacy while maintaining the scientific usefulness of the data is crucial. We propose a privacy-preserving pipeline for disease spread […]

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arXiv:2604.07492v1 Announce Type: new Abstract: Message Passing Neural Networks have recently become the most popular approach to graph machine learning tasks; however, their receptive field is limited by the number of message passing layers. To increase the receptive field, Graph Transformers with global attention have been proposed; however, global attention does not take into account the graph topology and thus lacks graph-structure-based inductive biases, which are typically very important for graph machine learning tasks. In this work, we […]

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arXiv:2604.07490v1 Announce Type: new Abstract: Representation learning for geospatial and spatio-temporal data plays a critical role in enabling general-purpose geospatial intelligence. Recent geospatial foundation models, such as the Population Dynamics Foundation Model (PDFM), encode complex population and mobility dynamics into compact embeddings. However, their integration with Large Language Models (LLMs) remains limited. Existing approaches to LLM integration treat these embeddings as retrieval indices or convert them into textual descriptions for reasoning, introducing redundancy, token inefficiency, and numerical inaccuracies. […]

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arXiv:2604.07487v1 Announce Type: new Abstract: Large language model agents rely on effective model context to obtain task-relevant information for decision-making. Many existing context engineering approaches primarily rely on the context generated from the past experience and retrieval mechanisms that reuse these context. However, retrieved context from past tasks must be adapted by the execution agent to fit new situations, placing additional reasoning burden on the underlying LLM. To address this limitation, we propose a generative context augmentation framework […]

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