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01.
PLOS Medicine 2026-05-21

U = U for all: Advancing equity in HIV prevention

作者:
Thiago S. Torres↗

by Thiago S. Torres, Paula M. Luz Suppression of HIV with antiretrovirals eliminates HIV transmission risk, summarized as Undetectable = Untransmittable (U = U). However, U = U literacy remains unevenly understood and shared, and stigmas persist. Equitable and accurate awareness of U = U requires culturally tailored interventions, improved provider education, and supportive policy environments beyond biomedical evidence alone. Suppression of HIV with antiretrovirals eliminates HIV transmission risk, summarized as Undetectable = Untransmittable (U=U). However, U=U literacy remains unevenly understood and shared, and stigmas persist. In this Perspective, Thiago Torres and Paula Luz outline what is needed to improve equity and accuracy in global awareness and education of U=U.

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02.
arXiv (quant-ph) 2026-06-16

Microscopic exceptional points in the post-selected open Jaynes–Cummings model

作者:
B. M. Rodr\'iguez-lara↗

arXiv:2606.14982v1 Announce Type: new Abstract: Phenomenological non-Hermitian Hamiltonians track selected signatures of complex reservoir dynamics, while post-selected no-jump effective Hamiltonians derived from microscopic open-system theory reveal the underlying system–reservoir physics. We derive such a Hamiltonian for the open Jaynes–Cummings model using a Moore–Penrose normalized $\mathrm{su}(2)$ representation that removes the vacuum-sector singularity and diagonalizes the full Hamiltonian by one operator rotation. Starting from a zero-temperature bosonic reservoir, we obtain a Gorini–Kossakowski–Sudarshan–Lindblad master equation under the Born–Markov approximation with full Bohr-frequency resolution. We use partial Bohr-frequency resolution to build a consistent post-selected no-jump Hamiltonian near exceptional points, where decay rates become comparable to Rabi frequencies and remove the scale separation behind full resolution. The normalized $\mathrm{su}(2)$ form of the resulting non-Hermitian Jaynes–Cummings Hamiltonian reveals the effects of Lamb-shifted detuning, diagonal loss imbalance, and reservoir-modified coupling. Our microscopic exceptional-point analysis recovers the experimentally reported single-excitation exceptional point for unequal independent losses and identifies regimes absent from the standard phenomenological model; for example, equal correlated losses with orthogonal channel phase produce a second-order exceptional point at the same loss-to-coupling ratio in every excitation sector.

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03.
arXiv (CS.CL) 2026-06-18

Rethinking Reward Supervision: Rubric-Conditioned Self-Distillation

作者:
Siyi Gu↗Jialin Chen↗Sophia Zhou↗Arman Cohan↗Rex Ying↗

Post-training of reasoning language models is commonly driven by supervised distillation and reinforcement learning with verifiable rewards. Distillation often relies on chain-of-thought annotations that are expensive to obtain and may themselves be noisy, incomplete, or partially incorrect; even when the final solution is correct, an imperfect rationale can interfere with learning. Reinforcement learning with verified rewards, on the other hand, typically compresses evaluative feedback into a scalar signal, obscuring which aspects of a response should be improved. We propose Rubric-Conditioned Self-Distillation, a framework that incorporates rubrics as structured, fine-grained feedback for on-policy self-distillation. Our method conditions the teacher model on criterion-level rubrics and uses it to provide token-level guidance on the student's own sampled trajectories. This design avoids treating a single reference rationale as the sole supervision target. Instead, rubrics specify what a strong response should satisfy, enabling more fine-grained credit assignment over the reasoning process than scalar reward optimization. We instantiate this framework with a two-stage pipeline that first learns to generate task-specific rubrics and then trains a rubric-guided reasoner. We evaluate on a diverse suite of science reasoning benchmarks and results show that rubric-conditioned self-distillation effectively converts rubric-level criteria into token-level guidance over the reasoning process, surpassing GRPO by 1.0 points and OPSD by 0.9 points on average.

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04.
arXiv (CS.AI) 2026-06-11

ProGRank: Probe-Gradient Reranking to Defend Dense-Retriever RAG from Corpus Poisoning

作者:
Xiangyu Yin↗Yi Qi↗Chih-Hong Cheng↗

arXiv:2603.22934v3 Announce Type: replace Abstract: Retrieval-Augmented Generation (RAG) improves large language model applications by grounding generation in retrieved evidence, but also introduces corpus poisoning as a new attack surface. In this setting, an adversary injects or edits passages so that they enter the Top-$K$ results for target queries and influence downstream generation. Existing defences often rely on content filtering, auxiliary models, or generator-side reasoning, which complicates deployment. We propose ProGRank, a post hoc, training-free retriever-side defence for dense-retriever RAG. ProGRank stress-tests each query–passage pair under mild randomized perturbations, extracts probe gradients from a small fixed parameter subset, and derives two instability signals: representational consistency and dispersion risk. It then combines these signals with a score gate for reranking. ProGRank preserves the original passage content, requires no retraining, and supports a surrogate-based variant when the deployed retriever is unavailable. Experiments across datasets, retrievers, attacks, and retrieval-stage and end-to-end settings show that ProGRank improves robustness and maintains a favorable robustness–utility trade-off, including under adaptive evasive attacks.

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05.
arXiv (CS.CL) 2026-06-15

SIMMER: Benchmarking Latent Failures in LLM Executable Planning with a World Model

作者:
Xiaoxin Lu↗Ranran Haoran Zhang↗Rui Zhang↗

Large language models (LLMs) are increasingly deployed as planners for autonomous agents in household environments. While existing benchmarks evaluate whether LLM-generated plans execute successfully, they overlook a critical type of failure: latent failures. Unlike immediate failures that trigger instant feedback at execution time and enable timely correction, latent failures do not immediately halt plan execution but silently compromise goal achievement. In severe cases, they cause irreversible harm. To address this gap, we introduce SIMMER, a benchmark for evaluating latent failures in LLM planning through a human-curated symbolic world model grounded in the kitchen domain. SIMMER defines a world model comprising 77 actions, 262 unique objects, and approximately 46,800 possible interactions that are semantically realistic, derived from real-world cooking scripts. It then leverages a state machine executor that validates plans against the world model and detects immediate precondition violations, latent hazards, and irreversible failures. Experiments across six LLMs show that even frontier models achieve at most 17% error-free plans. Moreover, up to 56% of plans contain latent failures, the majority of which lead to irreversible consequences. We further demonstrate that explicit state reasoning via counterfactual foresight simulation can reduce latent failures by up to 72% and irreversible cases by up to 75%, suggesting a promising direction for more robust LLM planners.

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06.
arXiv (CS.AI) 2026-06-16

LLM-as-Code Agentic Programming for Agent Harness

作者:
Junjia Qi↗Zichuan Fu↗Jingtong Gao↗Wenlin Zhang↗Hanyu Yan↗Xian Wu↗Xiangyu Zhao↗

arXiv:2606.15874v1 Announce Type: new Abstract: Every major LLM agent framework gives the LLM the role of orchestrator; the model decides what to do next, when to call tools, and when to stop. We argue that token explosion, control-flow hallucination, and unreliable completion are not implementation bugs but architectural consequences of assigning the deterministic work of looping, branching, and sequencing to a probabilistic system. A better prompt or a stronger model cannot guarantee the reliability of the LLM agent. We therefore propose Agentic Programming, in which the program governs all control flow, and the LLM is itself part of it, an adaptive component we call LLM-as-Code and invoke only where a task calls for reasoning or generation. Within each call the model keeps full flexibility, but it cannot alter the program's execution path. With control in the program, the LLM's context is built from the execution history's call tree and forms a directed acyclic graph (DAG). Each call's context length is then determined by its call depth rather than by accumulation over steps. A case study of computer-use agents shows that the design is practical, not just a theoretical stance, substantially improving the stability of long visual operation sequences.

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07.
arXiv (CS.AI) 2026-06-17

A Unified Framework for Context-Aware and Relation-Aware Graph Retrieval-Augmented Generation

作者:
Haoyang Zhong↗Yifei Sun↗Antong Zhang↗Chunping Wang↗Lei Chen↗Yang Yang↗

arXiv:2606.18075v1 Announce Type: new Abstract: Retrieval-Augmented Generation (RAG) has emerged as a paradigm for enhancing large language models (LLMs) with external knowledge, yet existing graph-based methods face a fundamental limitation: entity-centric and chunk-centric approaches operate on representations anchored to original text without true knowledge fusion. While entity-centric methods connect logically related content and chunk-centric methods preserve context, both retrieve information separately through similarity search, missing emergent understanding from their synthesis. In this paper, we propose HyGRAG, a hierarchical graph RAG framework that transcends source documents by addressing three core challenges: constructing summaries that genuinely integrate contextual and relational information, leveraging these synthesized representations to access emergent knowledge during retrieval, and efficiently updating hierarchical structures for dynamic corpora. Specifically, we design hierarchical index structures over hybrid graphs with both chunk and entity nodes, then iteratively cluster them and generate LLM-based summaries. Then, we design context and relation-aware retrieval that searches across all abstraction levels while expanding through community membership. Moreover, we enable dynamic knowledge update through attachment-based algorithms with only local re-summarization. Experimental results show that HyGRAG improves the average accuracy of multi-hop reasoning tasks by 9.7%, while maintaining reasonable efficiency.

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08.
arXiv (CS.AI) 2026-06-16

TimeVista: Exploring and Exploiting Vision-Language Models as Judges for Time Series Forecasting

作者:
Zhi Chen↗Yuxuan Wang↗Jialong Wu↗Yong Liu↗Haoran Zhang↗Xingjian Su↗Jianmin Wang↗Mingsheng Long↗

arXiv:2606.16173v1 Announce Type: new Abstract: High-quality time series forecasting is pivotal for real-world decision-making. However, traditional point-wise metrics often fail to reveal complex temporal patterns and align poorly with human intuitive preferences. While the ''LLM-as-a-Judge'' paradigm has revolutionized text evaluation by providing flexible, human-aligned judgment, its application to time series remains largely unexplored. In this paper, we leverage Vision-Language Models (VLMs) as judges for time series forecasting, harnessing their ability to comprehend time series plots grounded in textual information. Specifically, we propose a novel framework integrating micro- and macro-level judgments informed by contextual information to evaluate time series forecasting. To this end, we introduce TimeVista, a comprehensive VLM-as-a-Judge benchmark comprising 5563 time series samples paired with detailed evaluation rubrics. Extensive meta-evaluations demonstrate that VLMs are highly reliable judges, achieving significantly higher consistency with human preferences than conventional metrics. Building upon our benchmark, we comprehensively assess recent Time Series Foundation Models (TSFMs) under the VLM-as-a-Judge paradigm. Our results demonstrate that VLMs serve as robust and interpretable judges, providing a comprehensive, human-aligned standard for evaluating time series models.

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09.
arXiv (CS.CL) 2026-06-16

EIBench: A Simulator-Based Benchmark and Turn-Credit RL for Emotion Management

作者:
Rongzhi Zhu↗Xiang Huang↗Yuchuan Wu↗Rui Wang↗Zequn Sun↗Tao Ren↗Weiyao Luo↗Bingxue Qiu↗Jieping Ye↗Yongbin Li↗Wei Hu↗

Emotional intelligence (EI) in Large Language Models (LLMs) is often evaluated through static understanding tasks or single-response dialogue generation. However, emotion management is interactive: a good model should not only recognize a user's emotion, but also improve the user's emotional and relational state over several turns. We introduce EIBench, a simulator-based benchmark for interactive emotion management. EIBench contains 2,222 scenarios, with 2,009 for training and 213 for held-out testing. The scenarios are organized by a 2x2 taxonomy covering Support, Defense, Repair, and Charm, which together capture different forms of support, boundary maintenance, trust repair, and rapport building. In each scenario, an LLM simulator plays the user, updates an emotion-relation state after each turn, and maps the final state to an anchor-based score. This design makes EIBench both an evaluation benchmark and a training environment: the final state gives the outcome reward, while the per-turn state updates provide dense feedback for RL. We evaluate 15 open- and closed-source LLMs. Current models perform well on support and rapport-building scenes, but struggle with boundary maintenance under user pressure. To improve the EI ability of LLMs, we propose Centered Turn-Credit GRPO (CTC-GRPO), a GRPO extension that reuses the simulator's per-turn state updates as dense turn-level feedback while preserving the final outcome reward. CTC-GRPO improves Qwen3-8B from -22.4 to +22.4 on EIBench and also improves on out-of-distribution evaluations including SAGE (+12.4) and EQBench3 (+20.9%). Our results show that simulator-tracked user states can support both evaluation and training for multi-turn emotion management.

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10.
arXiv (CS.CV) 2026-06-16

Toward the Whole Picture: Accumulative Fingerprint Mapping and Reconstruction for Small-Area Mobile Sensors

作者:
Xiongjun Guan↗Jianjiang Feng↗Jie Zhou↗

Small-area fingerprint sensing on mobile devices creates a fundamental mismatch between acquisition and recognition: each touch captures only a tiny, pose-varying local patch, while reliable biometric matching ultimately requires a stable and sufficiently complete fingerprint representation. Existing pipelines largely cope with this mismatch by treating repeated touches as independent partial templates, which leads to repeated registration, repeated matching, and no guarantee of adequate global coverage. In this paper, we advocate a different formulation, namely accumulative fingerprint mapping and reconstruction for small-area mobile sensing. Rather than matching every partial patch separately, the proposed perspective converts a sequence of local observations into a unified fingerprint state that is progressively refined as new touches arrive and can be matched only once after consolidation. As a concrete baseline, we present a classical pipeline that performs patch-wise structural feature extraction, feature-level registration and fusion, fingerprint map construction, and phase-based ridge reconstruction. More importantly, we position this baseline within a broader mobile fingerprint framework that integrates structured token learning, two-stage pose reasoning, and diffusion-based generative reconstruction. This viewpoint reframes mobile fingerprint recognition from multi-capture multi-match processing to accumulative map building, state refinement, and one-shot matching, offering a principled route toward efficient, pose-robust, and deployment-friendly biometrics for small-area mobile platforms. The baseline implementation has been publicly released at https://github.com/XiongjunGuan/FpReconstruction.

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11.
arXiv (quant-ph) 2026-06-11

Lowest order Carleman linearization for low Reynolds long-term behaviour of fluid flow simulations

作者:
Luca Cappelli↗Sauro Succi↗

arXiv:2605.23380v2 Announce Type: replace Abstract: It is shown that the lowest (second) order truncation of the Carleman linearization of the fluid equations (C2) recovers the late stage of the evolution, namely the steady-state solution, although to a decreasing degree of accuracy at increasing Reynolds number. This asymptotic property is first proved analytically for the decaying logistic with external forcing and then shown to hold to a significant degree of accuracy also for the more complex case of two-dimensional Kolmogorov-like fluid flow at low Reynolds numbers, below $Re \sim 10$. This time-asymptotic property may open interesting prospects for the quantum simulation of low-Reynolds steady-state fluid flows.

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12.
Nature (Science) 2026-06-09

Scientists have a bad case of AI FOMO, <i>Nature</i> poll reveals

作者:
Mohana Basu↗

Almost half of the scientists who responded said that they feel broadly negative towards artificial intelligence, but they think that some tools are better than others. Almost half of the scientists who responded said that they feel broadly negative towards artificial intelligence, but they think that some tools are better than others.

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13.
arXiv (CS.LG) 2026-06-16

TriAdReview: Triangular Adversarial Review Architecture for Multi-Model Technical Document Generation

作者:
Zhiqiang Zhou↗Junliang Dai↗Xu Ling↗

arXiv:2606.15074v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used for technical document generation, yet single-model outputs often suffer from over-engineering, security blind spots, and incomplete coverage. We propose TriAdReview, a triangular adversarial review architecture that employs two independent reviewer models (engineering and boundary perspectives) and a triangular judging mechanism to iteratively improve a generator model's output. We evaluate TriAdReview across five benchmark tasks - architecture design, code generation, proposal review, security audit, and requirements analysis - using three configurations: single model (baseline), dual model (single review), and triple model (full system). Results across 75 experiments (n=5 per cell) show that the triple model configuration achieves a 10.1% overall improvement over the single model baseline (26.2 vs. 23.8 out of 50; p

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14.
arXiv (quant-ph) 2026-06-19

Faking entanglement with imperceptible measurement deviations

作者:
Jaime Moreno↗Elna Svegborn↗Simon Morelli↗Markus Hiekkam\"aaki↗Lea Kopf↗Robert Fickler↗Armin Tavakoli↗

arXiv:2606.20396v1 Announce Type: new Abstract: Quantum entanglement is a central resource underpinning emerging quantum technologies, enabling capabilities beyond those of classical systems. Accurate verification of entanglement is therefore crucial. However, experimental schemes usually rely on the assumption that quantum measurements can be realized exactly. As the complexity of a quantum system grows, this assumption typically becomes increasingly unrealistic, therefore leading to a widening mismatch between theoretical models and experimental implementations. Here we demonstrate that arbitrarily small measurement errors, when adversarially encoded in the measurement apparatus, can lead to the false certification of high-dimensional entanglement in systems that are, in fact, separable. This is achieved by introducing explicit hacking attacks to measurement devices in well-established entanglement verification tests. We further experimentally demonstrate this effect using classical photonic states encoded in the spatial degree of freedom, spanning up to 61 dimensions with measurement fidelity errors as low as 0.23%. Our results uncover a fundamental vulnerability in current methods for high-dimensional entanglement detection, highlighting the susceptibility of complex quantum devices to small adversarial perturbations. The findings underscore the need for developing secure verification of quantum information that is robust to bounded discrepancies between theory and experiment.

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15.
arXiv (CS.AI) 2026-06-12

Who Pays the Price? Stakeholder-Centric Prompt Injection Benchmarking for Real-world Web Agents

作者:
Zihao Wang↗Yiming Li↗Yutong Wu↗Zheyu Liu↗Kangjie Chen↗Fok Kar Wai↗Pin-Yu Chen↗Vrizlynn L. L. Thing↗Bo Li↗Dacheng Tao↗Tianwei Zhang↗

arXiv:2606.13385v1 Announce Type: cross Abstract: Web agents driven by large language models (LLMs) are increasingly deployed in real-world environments, where they operate over untrusted web content and execute actions with direct consequences. This makes them vulnerable to prompt-injection attacks, in which seemingly benign content embeds adversarial instructions that manipulate agent behaviour. Existing security benchmarks adopt an attack-centric perspective, focusing on the technical feasibility of injections while overlooking the nuanced distribution of resulting harms. In practice, however, prompt-injection risk is victim-dependent: a single exploit can produce asymmetric consequences for different stakeholders, and the same attack pattern may exhibit substantially different effectiveness depending on whom it targets. To capture these properties, we introduce \sysname, a stakeholder-centric benchmark to systematically categorize and attribute harm in real-world web agent systems. It distinguishes between affected entities (e.g., user, seller, platform), decomposes the attacks into concrete objectives, and evaluates each case with complementary outcome- and process-level metrics. Our results reveal substantial and heterogeneous vulnerabilities: not a single attack objective is reliably resisted by current agents, and failures distribute across qualitatively distinct modes ranging from stealthy parasitism (attack succeeds without disrupting the user's delegated task) to misaligned disruption (task disrupted without attack success) and compounded failure (both adversarial objective and task integrity simultaneously violated). These patterns are missed by conventional evaluation, highlighting the need for stakeholder-aware assessment of LLM-based agents in real-world deployments. Benchmark is available at https://github.com/StakeBench/SBC.

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16.
arXiv (CS.CL) 2026-06-12

Examining the Cognitive Gap Between Authors and Peer Reviewers on Academic Paper Novelty

作者:
Chenggang Yang↗Chengzhi Zhang↗

Novelty is a crucial metric for assessing the quality of academic papers. Scholars strive to highlight the novel aspects of their work, particularly in the title, abstract, and introduction. Peer review, serving as the gatekeeper of scientific rigor, rigorously evaluates the novelty of papers, yet a cognitive gap may exist between author self-promotion and reviewer evaluation. To investigate this, we analyzed 15,328 academic papers published in Nature Communications from 2016 to 2021, along with their peer-review comments. We found that both reviewers and authors emphasize result-oriented innovation, with reviewers adopting a more comprehensive evaluation perspective. Furthermore, by examining promotional intensity against inherent paper novelty, we found that its effect depends on the paper's actual innovation level. Highly innovative papers benefit from stronger promotional language, receiving more positive evaluations. We also found that promotional language significantly correlates with reviewer disagreement on novelty specifically for papers of moderate innovativeness, whereas it has negligible impact for papers with either very high or very low novelty. This reveals how promotional language operates most prominently in the gray area of academic evaluation.

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17.
arXiv (CS.AI) 2026-06-16

AIRMap: AI-Generated Radio Maps for Wireless Digital Twins

作者:
Ali Saeizadeh↗Miead Tehrani-Moayyed↗Davide Villa↗J. Gordon Beattie Jr↗Pedram Johari↗Stefano Basagni↗Tommaso Melodia↗

arXiv:2511.05522v4 Announce Type: replace-cross Abstract: Accurate, low-latency channel modeling is essential for real-time wireless network simulation and digital-twin applications. Traditional modeling methods like ray tracing are however computationally demanding and unsuited to model dynamic conditions. In this paper, we propose AIRMap, a deep-learning framework for ultra-fast radio-map estimation, along with an automated pipeline for creating the largest radio-map dataset to date. AIRMap uses a single-input U-Net autoencoder that processes only a 2D elevation map of terrain and building heights. Trained on 1.2M Boston-area samples and validated across four distinct urban and rural environments with varying terrain and building density, AIRMap predicts path gain with under 4 dB RMSE in 4 ms per inference on an NVIDIA L40S-over 100x faster than GPU-accelerated ray tracing based radio maps. A lightweight calibration using just 20% of field measurements reduces the median error to approximately 5%, significantly outperforming traditional simulators, which exceed 50% error. Integration into the Colosseum emulator and the Sionna SYS platform demonstrate near-zero error in spectral efficiency and block-error rate compared to measurement-based channels. These findings validate AIRMap's potential for scalable, accurate, and real-time radio map estimation in wireless digital twins.

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19.
arXiv (CS.LG) 2026-06-16

Graph Learning Should Move Beyond Restrictive Views of Spectral and Message-Passing GNNs

作者:
Antonis Vasileiou↗Juan Cervino↗Pascal Frossard↗Charilaos I. Kanatsoulis↗Christopher Morris↗Michael T. Schaub↗Pierre Vandergheynst↗Zhiyang Wang↗Guy Wolf↗Ron Levie↗

arXiv:2602.10031v2 Announce Type: replace Abstract: Graph neural networks (GNNs) are commonly divided into message-passing neural networks (MPNNs) and spectral GNNs, reflecting two largely separate research traditions in machine learning and signal processing. While MPNNs have a precise definition, there is no widely accepted criterion for what makes a mapping a spectral GNN. Most existing work restricts spectral GNNs to layered architectures based on linear spectral filters. Under this restriction, we show that spectral and spatial GNNs have largely equivalent expressive power. To promote progress in the field, we propose a precise definition of spectral GNNs based on eigenbasis symmetries, in contrast to the definition of MPNNs via neighborhood permutation symmetries. We further argue that the two perspectives offer complementary strengths. MPNNs provide a natural language for discrete structure and expressivity analysis through tools from logic and graph isomorphism, while the spectral perspective offers principled tools for understanding smoothing, bottlenecks, stability, and community structure. Overall, we argue that progress in graph learning will be accelerated by clarifying the similarities and differences between these perspectives and by moving toward a unified theoretical framework.

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20.
arXiv (CS.CV) 2026-06-11

From Correspondence to Actions: Human-Like Multi-Image Spatial Reasoning in Multi-modal Large Language Models

作者:
Masanari Oi↗Koki Maeda↗Ryuto Koike↗Daisuke Oba↗Nakamasa Inoue↗Naoaki Okazaki↗

While multimodal large language models (MLLMs) have made substantial progress in single-image spatial reasoning, multi-image spatial reasoning, which requires integration of information from multiple viewpoints, remains challenging. Cognitive studies suggest that humans address such tasks through two mechanisms: cross-view correspondence, which identifies regions across different views that correspond to the same physical locations, and stepwise viewpoint transformation, which composes relative viewpoint changes sequentially. However, existing studies incorporate these mechanisms only partially and often implicitly, without explicit supervision for both. We propose Human-Aware Training for Cross-view correspondence and viewpoint cHange (HATCH), a training framework with two complementary objectives: (1) Patch-Level Spatial Alignment, which encourages patch representations to align across views for spatially corresponding regions, and (2) Action-then-Answer Reasoning, which requires the model to generate explicit viewpoint transition actions before predicting the final answer. Experiments on three benchmarks demonstrate that HATCH consistently outperforms baselines of comparable size by a clear margin and achieves competitive results against much larger models, while preserving single-image reasoning capabilities.

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21.
bioRxiv (Bioinfo) 2026-06-14

Virtual phenotypic screening discovers novel scaffolds inhibiting the PI3K/mTOR pathway

作者:
Wu↗A. P↗Yao↗Hoeckendorf↗Gaskins↗Kosaisawe↗Lu↗Hanslovsky↗Mayba↗Skelton↗Scalia↗Moffat↗…

Phenotypic drug discovery has yielded many first-in-class small-molecule drugs by discovering modulators of disease phenotypes in physiologically relevant cellular systems. However, high-content phenotypic assays lack the ultra-high-throughput scalability of target-based screens. Recent advances in virtual screening present an opportunity to address this bottleneck, but have been limited to simple phenotypes like viability, restricted to small repurposing libraries, or lack in-depth biological validation. Here, we present PhenoCompass, a multimodal co-embedding model that aligns compound structures and high-content phenotypic imaging to enable virtual phenotypic screening over billion-compound libraries. Following training on the Joint Undertaking in Morphology dataset with more than 100,000 Cell Painting compound profiles, retrospective validation with historical biochemical high-throughput screening data demonstrates that PhenoCompass ranks compounds according to their biochemical target engagement. Leveraging PhenoCompass, we performed a prospective screen of 3.8 billion Enamine REAL compounds for inhibitors of PI3K/mTOR pathway, a critical signaling cascade whose aberrant activation is a common tumor driver. This search identified 11 novel compounds with pathway-consistent Cell Painting readout and diverse scaffolds, a 54-fold enrichment over the training set. Orthogonal validation experiments using a FOXO3A reporter assay and direct kinase inhibition confirmed seven structurally novel inhibitors with distinct mechanisms of action. These results highlight the convergence of diverse molecular target profiles onto a shared morphological pathway signature and establish PhenoCompass as a robust framework for high-content phenotypic virtual screening.

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22.
arXiv (CS.LG) 2026-06-18

Unlocking air traffic flow prediction through microscopic aircraft-state modeling

作者:
Bin Wang↗Anqi Liu↗Jiangtao Zhao↗Hina Birahmani↗Yanyong Huang↗Peilan He↗Guiyuan Jiang↗Feng Hong↗Yanwei Yu↗Yuanyuan Hou↗Tianrui Li↗

arXiv:2605.10083v2 Announce Type: replace Abstract: Short-term air traffic flow prediction in terminal airspace is essential for proactive air traffic management. Existing approaches predominantly model traffic flow as aggregated time series. However, traffic dynamics are governed by aircraft states and their interactions in continuous airspace. Such aggregation obscures fine-grained information, including aircraft kinematics, boundary interactions, and control intent. Here we present AeroSense, a state-to-flow modeling paradigm that predicts future traffic flow directly from instantaneous airspace situations represented as dynamic sets of aircraft states derived from ADS-B trajectories. By establishing an end-to-end mapping from microscopic aircraft states to future regional traffic flow, AeroSense preserves aircraft-level dynamics while naturally accommodating varying traffic density without relying on historical look-back windows. Experiments on a large-scale real-world dataset show that AeroSense exhibits admirable predictive accuracy and robustness over aggregation-based forecasting approaches, particularly during high-density traffic periods. These findings suggest that aircraft-state situation modeling provides a promising alternative to conventional time-series forecasting in air traffic flow management.

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23.
arXiv (CS.AI) 2026-06-11

A Resilient Solution for Sewer Overflow Monitoring across Cloud and Edge

作者:
Vipin Singh↗Tianheng Ling↗Peter Ghaly↗Felix Grimmeisen↗Gregor Schiele↗Felix Biessmann↗

arXiv:2605.10592v2 Announce Type: replace Abstract: Aging combined sewer systems in many historical cities are increasingly stressed by extreme rainfall events, which can trigger combined sewer overflows (CSO) with significant environmental and public health impacts. Forecasting the filling dynamics of overflow basins is critical for anticipating capacity exceedance and enabling timely preventive actions for CSO. We present a web-based demonstrator that integrates Deep Learning forecasting methods in both cloud and edge settings into an interactive monitoring dashboard for overflow monitoring, resilient to network outages. A video showcase is available online (https://cloud.bht-berlin.de/index.php/s/b9xt4T3SdiLBiFZ).

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24.
arXiv (CS.LG) 2026-06-18

Towards a future space-based, highly scalable AI infrastructure system design

作者:
Blaise Ag\"uera y Arcas↗Travis Beals↗Maria Biggs↗Jessica V. Bloom↗Thomas Fischbacher↗Konstantin Gromov↗Urs K\"oster↗Rishiraj Pravahan↗James Manyika↗

arXiv:2511.19468v2 Announce Type: replace-cross Abstract: If AI is a foundational general-purpose technology, we should anticipate that demand for AI compute – and energy – will continue to grow. The Sun is by far the largest energy source in our solar system, and thus it warrants consideration how future AI infrastructure could most efficiently tap into that power. This work explores a scalable compute system for machine learning in space, using fleets of satellites equipped with solar arrays, inter-satellite links using free-space optics, and Google tensor processing unit (TPU) accelerator chips. To facilitate high-bandwidth, low-latency inter-satellite communication, the satellites would be flown in close proximity. We illustrate the basic approach to formation flight via an 81-satellite cluster of 1 km radius, and describe an approach for using high-precision ML-based models to control large-scale constellations. Trillium TPUs are radiation tested. They survive a total ionizing dose equivalent to a 5 year mission life without permanent failures, and are characterized for bit-flip errors. Launch costs are a critical part of overall system cost; a learning curve analysis suggests launch to low-Earth orbit (LEO) may reach $\lesssim$\$200/kg by the mid-2030s.

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25.
arXiv (CS.LG) 2026-06-11

From inverse problems to neural operators: prediction, mechanism, and generalization of data-driven models

作者:
Conor Rowan↗

arXiv:2606.08956v2 Announce Type: replace Abstract: Scientists have historically relied on mathematical models based on differential equations to relate system inputs – forces, fluxes, or heat sources – to outputs, such as displacement, velocity, concentration, and temperature. These models rely on deep domain knowledge to determine the form of the governing differential equation, which is then calibrated with data by solving an inverse problem. In recent years, the field of Scientific Machine Learning has introduced a variety of alternative modeling strategies for physical systems. A method called Sparse Identification of Nonlinear Dynamics learns the governing equation as a sparse linear combination of terms in a user-defined library. Neural Ordinary Differential Equations construct the governing equation by taking in the state and its derivatives at the input layer of a neural network. Entirely foregoing the modeling framework of differential equations, neural operators directly learn a non-linear mapping between the system inputs and outputs. From inverse problems to neural operators, all of these modeling strategies can be conceptualized as data-driven machinery to predict a system's response over a range of inputs. It is then natural to wonder how exactly these various strategies relate to each other, and whether they can be neatly taxonomized. Drawing from the philosophical literature on scientific models, we argue that many model types have a common structure, differing only in the assumed model class of the input-output relation they define. Connecting to philosophical ideas on mechanism, and arguing that data from physical systems arises from solutions to parsimonious differential equations, we propose that only certain models are capable of mechanism discovery, and thus generalization. Our analysis is intended to unite apparently disparate modeling strategies and provide insight into their appropriate use cases.

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