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01.

bioRxiv (Bioinfo) 2026-06-16 DOI: HASH:f32b00222c23aad804b1816f7e56bc58

AutoZyme: An Autonomous Agentic Framework to Optimize Bioinformatics Software

作者:

Xie↗Cheng↗Cai↗Shireman↗Kendziorski↗

Performance bottlenecks in widely used genomics and bioinformatics software present a substantial and growing burden as biological datasets continue to increase in size and number. Relieving these bottlenecks relies largely on expert manual optimization and therefore remains difficult to scale. Here we present AutoZyme, an agentic framework for scientific software optimization. Given a target function, AutoZyme builds benchmarks, identifies bottlenecks, and iteratively tests code changes, retaining only those that improve runtime while preserving output. We evaluated AutoZyme on 45 functions, improving runtime without substantial memory increases in over 95% of cases considered. Across 38 functions from Seurat, Scanpy and related packages in genomics and bioinformatics, AutoZyme reduced runtime by a median of 8.52-fold, with the largest reductions exceeding 676-fold. The optimized functions are distributed through AutoZyme-Library as drop-in replacements for existing analysis pipelines. We also release AutoZyme as a reusable framework for optimizing additional user-specified packages and functions.

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02.

bioRxiv (Bioinfo) 2026-06-17 DOI: HASH:769096fd68774f42a0b81fadf9512714

An Integrated Framework for Transcriptomic Characterization and Lorentzian Hyperbolic Visualization of a High-Risk Topological Branch in Alzheimer's Disease

作者:

Zeng↗Pu↗Tao↗Wei↗Zhao↗Cai↗Ge↗

Alzheimer's disease (AD) is a highly heterogeneous brain disorder in which molecular alterations vary across brain regions, disease stages, and patient subgroups. This study introduces an integrated analytical framework for characterizing transcriptomic variation associated with a high-risk topological branch, which was identified based on Lorentz distance in postmortem Brodmann area 36 samples from the Mount Sinai Brain Bank cohort, where over 70% of samples were in Braak stages V-VI. The framework integrates weighted gene co-expression network analysis, repeated stability-based differential expression analysis, network-level gene filtering, Gene Ontology enrichment, and nested stratified cross-validation to evaluate whether topological branch-associated genes capture biologically meaningful signals and carry predictive information for high-Braak group status. The identified gene sets were functionally enriched for neuronal development, neuron projection organization, synaptic signaling, vesicle fusion, and regulated synaptic release, suggesting that the high-risk topological branch reflects biologically relevant transcriptomic programs linked to neurodegenerative progression. Nested cross-validation further showed that the selected genes achieved measurable internal predictive performance for distinguishing high-Braak samples. As a second methodological contribution, we introduced a Lorentzian hyperbolic variant of t-distributed stochastic neighbor embedding (Lorentz t-SNE) to explore latent non-Euclidean structure in transcriptomic data. This method embeds samples in hyperbolic space, providing an alternative to Euclidean embeddings for representing hierarchical or nonlinear structures. Compared with conventional Euclidean embeddings, the proposed Lorentz t-SNE revealed a more localized organization of high-Braak samples. Together, these results demonstrate the utility of the proposed analytical framework and Lorentz t-SNE for investigating heterogeneous, potentially non-Euclidean organization in AD transcriptomes.

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03.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2401.14381

Manifold GCN: Diffusion-based Convolutional Neural Network for Manifold-valued Graphs

作者:

Martin Hanik↗Gabriele Steidl↗Christoph von Tycowicz↗

arXiv:2401.14381v3 Announce Type: replace Abstract: We propose two graph neural network layers for graphs with features in a Riemannian manifold. First, based on a manifold-valued graph diffusion equation, we construct a diffusion layer that can be applied to an arbitrary number of nodes and graph connectivity patterns. Second, we model a tangent multilayer perceptron by transferring ideas from the vector neuron framework to our general setting. Both layers are equivariant under node permutations and the feature manifold's isometries. These properties have led to a beneficial inductive bias in many deep-learning tasks. Furthermore, they enable novel, more flexible feature designs. Numerical examples on synthetic data and an Alzheimer's classification application on triangle meshes of the right hippocampus demonstrate the usefulness of our new layers: While they apply to a much broader class of problems, they outperform task-specific state-of-the-art networks.

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04.

arXiv (CS.CV) 2026-06-12 DOI: arXiv:2509.21398

Skeleton Sparsification and Densification Scale-Spaces

作者:

Julia Gierke↗Pascal Peter↗

The Hamilton-Jacobi skeleton, also known as the medial axis, is a powerful shape descriptor that represents binary objects in terms of the centres of maximal inscribed discs. Despite its broad applicability, the medial axis suffers from sensitivity to noise: Minor boundary variations can lead to disproportionately large and undesirable expansions of the skeleton. Classical pruning methods mitigate this shortcoming by systematically removing extraneous skeletal branches. This sequential simplification of skeletons resembles the principle of sparsification scale-spaces that embed images into a family of reconstructions from increasingly sparse pixel representations. We combine both worlds by introducing skeletonisation scale-spaces: They leverage sparsification of the medial axis to achieve hierarchical simplification of shapes. Unlike conventional pruning, our framework inherently satisfies key scale-space properties such as hierarchical architecture, controllable simplification, and equivariance to geometric transformations. We provide a rigorous theoretical foundation in both continuous and discrete formulations and extend the concept further with densification. By growing the skeleton successively instead of shrinking it, we allow inverse progression from coarse to fine scales. Densification scale-spaces can even reach beyond the original skeleton to produce overcomplete shape representations with relevancy for practical applications. Through proof-of-concept experiments, we demonstrate the effectiveness of our framework for practical tasks including robust skeletonisation, shape compression, and stiffness enhancement for additive manufacturing.

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05.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.16737

The Algebra of Units: From Buckingham's Pi-grec Theorem to Latent-Variable Learning

作者:

Mauro Valorani↗

arXiv:2606.16737v1 Announce Type: cross Abstract: Engineers often measure many quantities-speed, pressure, temperature, length-expressed in different physical units. The Buckingham Pi-grec theorem states that these variables can always be combined into a smaller set of dimensionless numbers whose values fully determine the system's behaviour. Identifying the appropriate dimensionless groups has traditionally required expert knowledge and physical insight. This paper shows that they can instead be discovered automatically from data, without prior knowledge of the governing physics. The key observation is that, after logarithmic transformation, measurements collected under different scalings of the same system lie on a low-dimensional manifold whose geometry is determined by the underlying dimensionless groups. Singular value decomposition (SVD) identifies this manifold directly from data. A subsequent search over integer-exponent combinations recovers candidate dimensionless quantities, while a repeating-variable filter retains only those constructed from the machine's characteristic scales. This procedure recovers familiar engineering groups, including the flow coefficient, head coefficient, and Mach number, while excluding equivalent but less interpretable alternatives. The method is demonstrated on a synthetic compressor dataset containing 16,000 measurements. Starting from raw dimensional variables and no physics input, it recovers the correct dimensionless groups to numerical precision and reproduces the compressor performance map with an error below 0.01%. More broadly, the work reveals a close connection between classical dimensional analysis and modern data-driven learning. Both rely on the same underlying algebraic structure, suggesting new approaches for building physical models that are simultaneously interpretable, scalable, and data-efficient.

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06.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.19220

Machine Unlearning for the XGBoost Model with Network Intrusion Datasets

作者:

Diana Magalh\~aes↗Eva Maia↗Jo\~ao Vitorino↗Isabel Pra\c{c}a↗

arXiv:2606.19220v1 Announce Type: cross Abstract: Machine Unlearning (MU) has emerged as an important technique for removing specific data points from trained models without requiring full retraining. However, most existing MU research focuses on deep learning and image data, leaving a gap in the domain of network intrusion detection, which relies heavily on tabular data. This work introduces XGBoost-Forget, an unlearning approach for the XGBoost model, to address this gap. The approach is evaluated on two tabular Network Intrusion (NI) datasets, IoT-23 and GeNIS, using multiple metrics to assess model performance, unlearning efficiency, and forgetting quality. The results show that XGBoost-Forget maintains predictive performance close to the original model while providing significantly faster unlearning, demonstrating its potential for MU in tabular NI settings.

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07.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2601.14792

Robustness of Mixtures of Experts to Feature Noise

作者:

Dong Sun↗Rahul Nittala↗Rebekka Burkholz↗

arXiv:2601.14792v2 Announce Type: replace Abstract: Despite their practical success, it remains unclear why Mixture of Experts (MoE) models can outperform dense networks beyond sheer parameter scaling. We study an iso-parameter regime where inputs exhibit latent modular structure but are corrupted by feature noise, a proxy for noisy internal activations. We show that sparse expert activation acts as a noise filter: compared to a dense estimator, MoEs achieve lower generalization error under feature noise, improved robustness to perturbations, and faster convergence speed. Empirical results on synthetic data and real-world language tasks corroborate the theoretical insights, demonstrating consistent robustness and efficiency gains from sparse modular computation.

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08.

arXiv (math.PR) 2026-06-12 DOI: arXiv:2606.13331

Pathwise integration beyond Young via Faber–Schauder energy spaces

作者:

Donghan Kim↗

arXiv:2606.13331v1 Announce Type: cross Abstract: We develop a pathwise integration theory based on Faber–Schauder energy spaces. The approach replaces the classical Hölder–Young and finite-variation Young conditions by dyadic summability conditions expressed in terms of Faber–Schauder coefficients. On the normalized interval $[0,1]$, these conditions define Banach spaces $\mathcal{E}^p$, which we call Faber–Schauder energy spaces. For $p,q>1$ satisfying $1/p+1/q\ge1$, we prove that every pair $f\in\mathcal{E}^p$ and $g\in\mathcal {E}^q$ admits a continuous pathwise integral $I_{f,g}$, constructed from dyadic left Riemann sums. We call $I_{f,g}$ the Faber–Schauder integral, and show that it depends boundedly and bilinearly on $(f,g)$ in the corresponding energy norms. The integral satisfies additivity, integration by parts, and a dyadic Young–Loève estimate. It is also the uniform limit of classical Riemann–Stieltjes integrals of finite Faber–Schauder approximations. The Faber–Schauder integral agrees with the classical Young integral whenever the latter is available, but also applies to deterministic and Gaussian examples for which neither the Hölder–Young condition nor the finite-variation Young condition can be verified. In this sense, it provides a Faber–Schauder coefficient-based extension of Young's framework.

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09.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.15345

Beyond Monolingual Deep Research: Evaluating Agents and Retrievers with Cross-Lingual BrowseComp-Plus

作者:

Yuheng Lu↗Qingcheng Zeng↗Heli Qi↗Puxuan Yu↗Fuheng Zhao↗Rui Yang↗Hitomi Yanaka↗Naoto Yokoya↗Weihao Xuan↗

Deep research agents are increasingly evaluated on their ability to search for evidence, reason over retrieved sources, and produce grounded answers. Existing browsing benchmarks, however, largely assume that the user's query and the supporting evidence are written in the same language, leaving open whether agentic search systems can operate when relevant evidence appears in another language. We introduce XBCP (Cross-lingual BrowseComp-Plus), a controlled benchmark that preserves the English question-and-answer space of BrowseComp-Plus but varies the languages of the supporting documents. XBCP instantiates two complementary settings: in the cross-lingual setting, each query is paired with evidence in a single assigned language. In the multilingual setting, the full evidence corpus is distributed equally and randomly across 12 languages spanning high-resource and low-resource regimes. We evaluate four deep research agents using sparse and dense multilingual retrievers, measuring answer accuracy, evidence recall, search behavior, calibration, citation fidelity, and oracle retrieval. Results reveal substantial degradation when evidence is translated. Even strong, dense retrievers lose evidence recall, and agents become less calibrated and cite evidence less reliably. Notably, accuracy remains lower even when all gold evidence is supplied directly. These findings suggest that cross-lingual deep research exposes both retrieval failures and an independent, agent-side difficulty in integrating language-mismatched evidence.

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10.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2505.11846

Learning on a Razor's Edge: Identifiability and Singularity of Polynomial Neural Networks

作者:

Vahid Shahverdi↗Giovanni Luca Marchetti↗Kathl\'en Kohn↗

arXiv:2505.11846v3 Announce Type: replace Abstract: We study function spaces parametrized by neural networks, referred to as neuromanifolds. Specifically, we focus on deep Multi-Layer Perceptrons (MLPs) and Convolutional Neural Networks (CNNs) with an activation function that is a sufficiently generic polynomial. First, we address the identifiability problem, showing that, for almost all functions in the neuromanifold of an MLP, there exist only finitely many parameter choices yielding that function. For CNNs, the parametrization is generically one-to-one. As a consequence, we compute the dimension of the neuromanifold. Second, we describe singular points of neuromanifolds. We characterize singularities completely for CNNs, and partially for MLPs. In both cases, they arise from sparse subnetworks. For MLPs, we prove that these singularities often correspond to critical points of the mean-squared error loss, which does not hold for CNNs. This provides a geometric explanation of the sparsity bias of MLPs. All of our results leverage tools from algebraic geometry.

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11.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.17013

Exploding and vanishing gradients in deep neural networks: the effect of residual connections

作者:

Vivek S Borkar↗

arXiv:2606.17013v1 Announce Type: cross Abstract: The well known phenomenon of exploding and vanishing gradients in deep neural networks is analyzed using multiplicative ergodic theory. The effect of adding a residual connection is explained in this context. Specifically, a characterization of Liapunov exponents due to Furstenberg and Kifer is exploited in order to make a precise statement about the Liapunov spectrum and the effect of residual connections on it.

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12.

arXiv (CS.CL) 2026-06-19 DOI: arXiv:2606.20164

MedRLM: Recursive Multimodal Health Intelligence for Long-Context Clinical Reasoning, Sensor-Guided Screening, Evidence-Grounded Decision Support, and Community-to-Tertiary Referral Optimization

作者:

Aueaphum Aueawatthanaphisut↗

Real-world clinical decision support requires reasoning over heterogeneous and longitudinal patient information rather than answering isolated medical questions. However, current medical large language models and retrieval-augmented generation systems often rely on single-step prompting or retrieval, which can be fragile when clinical evidence is distributed across long electronic health records, medical images, sensor streams, guidelines, and referral constraints. This paper proposes MedRLM, a Recursive Multimodal Health Intelligence framework for long-context clinical reasoning, sensor-guided screening, and community-to-tertiary referral support. Instead of compressing all patient information into one prompt, MedRLM treats the patient case as an external clinical environment that can be recursively inspected, decomposed, retrieved, verified, and synthesized. The framework coordinates specialized agents for clinical text, longitudinal EHR, medical imaging, physiological sensor signals, guideline retrieval, uncertainty auditing, and referral planning. It further introduces a Clinical Evidence Graph Memory to connect patient-specific observations with retrieved evidence, standardized definitions, sensor-derived biomarkers, and referral criteria. A sensor-guided recursive triggering mechanism activates deeper reasoning when abnormal physiological or behavioral patterns are detected, while uncertainty-gated refinement supports clinician review for high-risk or low-confidence cases. We also outline a real-data evaluation design using public and credentialed clinical datasets spanning EHR, radiology, ECG, ICU time series, and referral-proxy outcomes. MedRLM aims to move medical AI from static question answering toward auditable, multimodal, and workflow-aware clinical decision support.

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13.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.15686

Recurrent Reasoning on Symbolic Puzzles with Sequence Models

作者:

Gowrav Mannem↗Chowdhury Marzia Mahjabin↗Jason Chen↗Shivank Garg↗Kevin Zhu↗

arXiv:2606.15686v1 Announce Type: new Abstract: Large language models often appear strong on symbolic and algorithmic tasks, yet this apparent strength can hide brittle behaviour when problems become longer, harder, or slightly out of distribution. A major limitation of current reasoning benchmarks is that many primarily test whether a model can produce a valid answer, while paying less attention to whether the solution is minimal, robust, and stable under controlled difficulty scaling. We introduce RecurrReason, a difficulty-controlled benchmark of four recurrent logic puzzles (Tower of Hanoi, River Crossing, Block World, and Checkers Jumping) with BFS-optimal trajectories and a single interpretable difficulty parameter $N \in \{1,\dots,10\}$, totalling 10{,}817 unique puzzles and 285{,}933 moves. We benchmark two Transformer families, an encoder-decoder model (T5-style) and a decoder-only model (GPT-2-style), under consistent data splits and evaluation criteria, training on $N{=}1$ to $7$ and evaluating on both held-out in-distribution instances and harder out-of-distribution instances at $N{=}8$ to $10$. Fine-tuned pre-trained T5 achieves 97.27\% validation and 81.00\% OOD accuracy on Block World; all models score 0.00\% on River Crossing under all conditions. Failure mode analysis reveals that architecture is a stronger determinant of success than scale. Pre-training transfers only to puzzles with locally structured transition functions. Our code and dataset will be open-sourced upon acceptance.

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14.

Nature (Science) 2026-06-17 DOI: HASH:09d2aa9211b0c534e3cb39d60e643374

Cortical development dynamics across autism spectrum disorder mouse models

作者:

Lena A. Schwarz↗

Despite the functional diversity of over 100 causal genes1–3, phenotypic convergence across models may reveal common neurobiological processes in autism spectrum disorder (ASD). Here we profiled 251 samples from 11 monogenic mouse models of ASD using single-nucleus multi-omic sequencing across three developmental stages, both sexes and two brain regions. Despite genetic heterogeneity, ASD-linked mutations converged on perturbations of the radial glial cell lineage. These alterations reflect a transient developmental delay rather than lasting lineage misspecification and resolve by postnatal stages. Molecularly, the largest transcriptional differences emerged in neurons at early postnatal stages. These changes included downregulation of synaptic and ion channel-related genes, consistent with homeostatic adaptation or delayed maturation. Network analysis showed molecular convergence across models within each developmental stage, suggesting that diverse mutations linked to ASD impinge on common, stage-specific processes. Convergence becomes less pronounced by postnatal day 14, highlighting the dynamic nature of ASD-associated changes. Cross-genotype heterogeneity is superimposed on stage-specific effects. Electrophysiology corroborated this pattern: mutants generally showed altered neuronal excitability and synaptic properties with model-specific nuances. Our study also highlighted sex-specific gene expression alterations, with female mice often displaying larger effect sizes than male mice. Together, our findings provide a comprehensive view of developmental cellular and molecular dynamics across models of ASD. Using single-nucleus multi-omic sequencing, diverse autism spectrum disorder-linked gene mutations converge on transient, stage-specific disruptions in early brain development, and highlight sex-specific gene expression alterations.

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15.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2511.14427

Self-Supervised Multisensory Pretraining for Contact-Rich Robot Reinforcement Learning

作者:

Rickmer Krohn↗Vignesh Prasad↗Gabriele Tiboni↗Georgia Chalvatzaki↗

arXiv:2511.14427v4 Announce Type: replace-cross Abstract: Effective contact-rich manipulation requires robots to synergistically leverage vision, force, and proprioception. However, Reinforcement Learning agents struggle to learn in such multisensory settings, especially amidst sensory noise and dynamic changes. We propose MultiSensory Dynamic Pretraining (MSDP), a novel framework for learning expressive multisensory representations tailored for task-oriented policy learning. MSDP is based on masked autoencoding and trains a transformer-based encoder by reconstructing multisensory observations from only a subset of sensor embeddings, leading to cross-modal prediction and sensor fusion. For downstream policy learning, we introduce a novel asymmetric architecture, where a cross-attention mechanism allows the critic to extract dynamic, task-specific features from the frozen embeddings, while the actor receives a stable pooled representation to guide its actions. Our method demonstrates accelerated learning and robust performance under diverse perturbations, including sensor noise, and changes in object dynamics. Evaluations in multiple challenging, contact-rich robot manipulation tasks in simulation and the real world showcase the effectiveness of MSDP. Our approach exhibits strong robustness to perturbations and achieves high success rates on the real robot with as few as 6,000 online interactions, offering a simple yet powerful solution for complex multisensory robotic control. Website: https://msdp-pearl.github.io/

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16.

bioRxiv (Bioinfo) 2026-06-11 DOI: HASH:6dd91e460cf94875f9e19667aacefd98

Revealing trajectories of multi-modal voxel-level changes in neurodegenerative diseases using latent event mapping

作者:

Pinnawala↗Hartanto↗Jairamani↗Simpson↗I. J. A↗Wijeratne↗P. A↗

Neurodegenerative diseases are driven by pathological mechanisms that can be indirectly measured in vivo using multi-modal neuroimaging. However, current computational methods that aim to reconstruct trajectories of voxel-level changes in the brain are either not computationally scalable or fully interpretable, limiting their ability to reveal associations between disease progression and underlying mechanisms. Here we introduce Latent Event Mapping (LEMING), a generative unsupervised modelling technique that learns a latent map of disease events along a common pseudo-timeline of events. We apply LEMING to amyloid PET and structural MRI data from the Alzheimer's Disease Neuroimaging Initiative to reveal the first voxel-level trajectories of events in Alzheimer's disease. Notably, we show how LEMING can provide new insights into progression-dependent disease mechanisms. We find that acetylcholine receptor density is significantly positively associated with both late-stage amyloid and atrophy events, suggesting that either these receptors are targeted later in disease progression, or that amyloid does not play an active role. This has strong implications for therapeutics that target acetylcholine receptors, particularly for early-stage intervention strategies.

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17.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2603.20775

Evaluating Uplift Modeling under Structural Biases: Insights into Metric Stability and Model Robustness

作者:

Yuxuan Yang↗Dugang Liu↗Yiyan Huang↗

arXiv:2603.20775v2 Announce Type: replace Abstract: In personalized marketing, uplift models estimate the incremental effect of an intervention by modeling how customer behavior would change under alternative treatments using counterfactual analysis. However, real-world marketing data often exhibit various biases, such as selection bias, spillover effects, measurement error, and unobserved confounding. These biases can adversely affect both the accuracy of uplift estimation and the validity of evaluation metrics. Despite the importance of bias-aware assessment, there remains a lack of systematic studies evaluating how different models and metrics perform under such biased conditions. To bridge this gap, we design a systematic benchmarking framework. Unlike standard predictive tasks, real-world uplift datasets inherently lack counterfactual ground truth. This limitation renders the direct validation of evaluation metrics infeasible and prevents the precise quantification of biases. Therefore, a semi-synthetic approach serves as a critical enabler for systematic benchmarking. This approach effectively bridges the gap by retaining real-world feature dependencies while providing the ground truth needed to isolate structural biases. Our investigations reveal that (i) uplift targeting and prediction can manifest as distinct objectives, where proficiency in one does not ensure efficacy in the other; (ii) while many models exhibit inconsistent performance under diverse biases, TARNet shows notable robustness, providing insights for subsequent model design; (iii) the stability of evaluation metrics is linked to their mathematical alignment with the ATE, suggesting that ATE-approximating metrics yield more consistent model rankings under structural data imperfections. These findings suggest the need for more robust uplift models and evaluation metrics under real-world data imperfections.

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18.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14498

A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction

作者:

Yunhong Lou↗Xihang Yue↗Xinran Wei↗Tianqi Deng↗Linchao Zhu↗

arXiv:2606.14498v1 Announce Type: cross Abstract: Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-structure observables that energy-only surrogates cannot resolve. Yet element-wise agreement with the converged Hamiltonian, an implicit fixed point of the self-consistent field iteration, does not determine the occupied subspace that governs orbital energies and densities. Here we present HamEvo, a neural operator that learns the single-step self-consistent update and returns the converged Hamiltonian as its fixed point. HamEvo is pre-trained on intermediate self-consistent trajectories and calibrated at equilibrium with density-matrix supervision. Across benchmarks from MD17 to drug-like QMugs, HamEvo lowers Hamiltonian errors by 35-49% over direct-regression and deep-equilibrium baselines, and predicts QMugs HOMO and LUMO energies with mean absolute errors of 0.036 and 0.053 eV, near the 1 kcal/mol chemical-accuracy scale. Few-shot fine-tuning with only 20 reference conformations extends HamEvo to molecules of up to 122 atoms, well beyond the size range covered by pre-training. With thermal molecular-dynamics sampling, HamEvo captures temperature-dependent HOMO-LUMO gap renormalization beyond the harmonic approximation. Inference is up to 242 times faster than conventional DFT.

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19.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18319

ASTRA: A Scalable Next-Generation ATCO Training Simulator with Autonomous Simpilots

作者:

Ethan Chew↗Enjia Wu↗Iruss Eng Wei Yeow↗Ian Weiqin Lim↗Ranen Sim↗Brandon Koh Ziheng↗Kaleb Nim↗Caden Toh Jun Yi↗Wei Dong Soin↗Darius Kai Keat Koh↗Galen King Yu Tay↗Prannaya Gupta↗…

arXiv:2606.18319v1 Announce Type: cross Abstract: Air Traffic Control Operators (ATCOs) are vital in ensuring the safe, orderly, and efficient flow of air traffic, yet training capacity is constrained by reliance on specialized human trainers known as simpilots, who must role-play both pilots and ATCOs in a simulated airspace. Existing automated solutions rely on Western-centric speech models that perform poorly in Singaporean operational contexts, with off-the-shelf systems exhibiting Word Error Rates (WER) of up to 107.80% on Singaporean-accented aviation speech. We introduce ASTRA, an end-to-end training simulator that automates these simpilot roles through a pipeline that transcribes ATCO speech, interprets instructions, and generates appropriate pilot and ATCO responses using locally adapted voice models. Our fine-tuned Automatic Speech Recognition (ASR) pipeline reduces WER to 23.45%, substantially outperforming existing approaches in this domain. Beyond traffic simulation, ASTRA incorporates an AI-assisted performance evaluation framework that assesses trainee radiotelephony communications across accuracy, brevity, and completeness, achieving post-optimization scores of 91.7%, 88.2%, and 86.9%, respectively. Built on open-source foundations such as DSPy and Unsloth, this approach enables scalable, standardized ATCO assessment while reducing instructor workload.

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20.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18988

ThinkDeception: A Progressive Reinforcement Learning Framework for Interpretable Multimodal Deception Detection

作者:

Jinhao Song↗Shan Liang↗Yiqun Yue↗Zhuhuayang Zhang↗Tianqi Gao↗

arXiv:2606.18988v1 Announce Type: new Abstract: Multimodal deception detection is critical for identifying fraudulent intentions, yet existing approaches predominantly rely on end to end black–box paradigms. These methods suffer from a severe lack of interpretability failing to provide transparent reasoning trajectories and struggling to explicitly capture the subtle, cross modal inconsistencies inherent in deceptive behaviors. To transcend these limitations, we propose ThinkDeception, a novel and interpretable multimodal deception detection framework. As a pioneering effort, it introduces Multimodal Large Language Models (MLLMs) into this domain, transforming deception detection from a traditional binary classification task into an explicit cognitive reasoning process. Facilitated by the first meticulously annotated step–by–step multimodal Chain of Thought (CoT) dataset, we develop a foundational model, ThinkDeception Base, empirically validating the critical role of modal inconsistency in decoding deception. Building upon this foundation, our core innovation lies in proposing Visual-Audio Consistency Group Relative Policy Optimization(VAC–GRPO) equipped with a progressive training strategy. Distinct from standard GRPO, we stratify the training data into four progressive difficulty tiers, guiding the model through a psychologically grounded easy–to–hard cognitive transition. By innovatively coupling this dynamic curriculum scheduler with a multi dimensional, process aware reward mechanism and a reflective learning paradigm, we significantly elevate the model's overall reasoning quality. Extensive experiments on mainstream benchmarks demonstrate that ThinkDeception establishes a new SOTA, significantly outperforming existing methods in both detection accuracy and rationale quality. Ultimately, this work successfully drives the field of deception detection toward interpretable, multimodal cognitive reasoning.

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21.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.13038

Nous: An Attempt to Extract and Inject the Cognition Behind Prediction-Market Behavior

作者:

Haowei Qian↗

arXiv:2606.13038v1 Announce Type: new Abstract: As LLM agents proliferate in prediction markets and collective decision-making, they risk a cognitive monoculture: agents built on shared foundation models produce correlated forecasts, and recent measurement finds frontier-model errors correlated at r ~ 0.77. We ask whether human cognitive diversity can be recovered from behavior and transferred to LLM agents. Nous extracts a structured eight-dimension behavioral profile from real Polymarket trading activity and injects it into agents through prompts. Our central finding is a dissociation between the two halves of that pipeline. Extraction works, partially: across 100 wallets, 8 of 14 parameters are temporally stable (split-half ICC >= 0.5, bootstrap CI lower bound > 0.3; contrarian score reaches ICC ~ 0.9); wallets are identifiable from their profiles well above chance (top-1 retrieval 17-22% vs. 1% chance); and two of four pre-specified dimensions rank-correlate with future realized profit out-of-sample, though the correlations do not survive behavioral-confound controls. Prompt-level injection does not measurably transmit it: on a semantic embedding metric, structured injection shows no significant advantage over a length-matched control on any model, and the diversity it induces neither reduces ensemble error correlation nor improves Brier score – a null that persists across exploratory checks on sampling temperature, profile diversity, and question difficulty. Measuring the prompts themselves locates the compression before the model: the structure-to-narrative translator emits near-uniform prompts whose spread does not track profile spread. We position Nous as measuring the cognitive-monoculture problem and the limits of a prompt-level remedy, motivating deeper, below-the-prompt injection (fine-tuning, activation steering). Code, frozen profiles, prompts, and model outputs: https://github.com/WillChienT/nous-paper

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22.

arXiv (CS.CL) 2026-06-18 DOI: arXiv:2511.00802

GrowthHacker: Automated Off-Policy Evaluation Optimization Using Code-Modifying LLM Agents

作者:

Jie JW Wu↗Ayanda Patrick Herlihy↗Ahmad Saleem Mirza↗Ali Afoud↗Fatemeh Fard↗

With data-driven development now widely adopted, online A/B testing is an established method for measuring the effects of new technologies. However, deploying online experiments demands resources for design, implementation, and deployment, and may negatively impact users (e.g., unsafe or unethical outcomes) while requiring weeks of data collection. To address this, the growing research area of off-policy evaluation (OPE), or offline A/B testing, assesses new technologies offline using previously collected logged data. OPE is also a fundamental problem in reinforcement learning and is important where online testing is expensive or risky, such as healthcare, recommender systems, education, and robotics. Despite advances in code-generation large language models (LLMs) and agentic workflows, little is known about whether and how LLMs and LLM-based agents can automatically optimize OPE implementations. We propose GrowthHacker, a benchmark that evaluates baseline LLMs and LLM-based agents on large-scale public datasets. GrowthHacker autonomously and iteratively modifies code, runs OPE, and uses the metrics to guide subsequent optimization. We evaluate methods on Open Bandit Pipeline (OBP) and Scope-RL, and develop a two_agent framework that addresses limitations of existing frameworks while reducing complexity. Across both libraries, two_agent shows the highest reliability (98.1%-100% success rate) and positive-outcome rate (78%), with a median improvement of 4.4% among positive outcomes; CrewAI achieves the highest average improvement (37.9%) and is the only framework with zero extreme-value failures. AutoGen and Default each reach 65% positive-outcome rates. These results establish the feasibility of using LLM-based agents as automated "growth hackers" to continuously improve OPE systems, with implications for scaling data-driven decision-making where manual optimization is expensive.

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23.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2606.11739

Multi-View In-Cabin Monitoring System for Public Transport Vehicles

作者:

Evgeny Gorelik↗Kenny Dean Karrow↗Fikret Sivrikaya↗Sahin Albayrak↗Christian Baumann↗

We introduce a multi-view in-cabin monitoring dataset for public transportation with synchronized RGB and depth images from four inward-facing cameras and a rotating LiDAR covering the vehicle interior of a digitalized and partly automated German city bus. The dataset contains 9.136 synchronized samples with annotations and is accompanied by a calibration and pseudo-labeling pipeline that generates 3D human pose estimates and oriented 3D bounding boxes for occupants. We further provide a nuScenes-format conversion and benchmark representative multi-view 3D detection models (e.g., Lift-Splat-Shoot and BEVFusion), supporting comparative evaluation and small-scale training of multi-view in-cabin perception models. The dataset and tools are available at https://github.com/EvgenyGorelik/multiview_incabin_dataset.

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24.

arXiv (CS.CV) 2026-06-12 DOI: arXiv:2606.13127

Fully Distributed Multi-View 3D Tracking in Real-Time

作者:

Byron Hernandez↗Fangyu Li↗Aotian Wu↗Paul J. Shin↗Kaustubh Purandare↗Henry Medeiros↗

Multi-camera tracking with overlapping fields of view typically relies on centralized fusion, which creates computational bottlenecks that prevent deployment at scale. We present MV3DT, a fully distributed framework for real-time multi-view 3D tracking that achieves accurate identity propagation and occlusion recovery through peer-to-peer coordination, eliminating the need for central aggregation. Each camera node executes a lightweight modular pipeline comprising monocular 3D perception, distributed multi-view association, and collaborative fusion via lightweight messaging. MV3DT achieves 94.3% IDF1 and 93.3% MOTA on WILDTRACK, competitive with state-of-the-art centralized methods, while demonstrating superior scalability by sustaining 30 FPS on 100 cameras with less than 10 ms inter-camera latency and only 2.2% communication overhead. MV3DT operates in a zero-shot regime given camera calibrations, requiring no scene-specific learning and making it directly deployable in new environments. These results establish MV3DT as a practical solution for real-time multi-view tracking in large-scale overlapping camera networks.

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25.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.20258

Editorial Alignment: A Participatory Approach to Engaging Editorial Expertise in LLM-mediated Knowledge Dissemination

作者:

Simon Aagaard Enni↗Malthe Stavning Erslev↗Karl-Emil Kj{\ae}r Bilstrup↗Kristoffer Laigaard Nielbo↗

arXiv:2606.20258v1 Announce Type: cross Abstract: The emergence of LLM-driven information services is reshaping the conditions under which public knowledge institutions operate, threatening to absorb the editorial function these institutions exist to exercise. While LLMs offer powerful new affordances for knowledge dissemination, editorial authority is challenged by pretrained LLMs that arrive already aligned with the values and dissemination strategies of their commercial developers. This paper investigates editor participation in re-aligning LLM interfaces to editorial standards through design workshops, in a case study where we design and implement an LLM-enabled encyclopedia interface with a Nordic public knowledge institution. We introduce editorial alignment as a design practice within Participatory AI, framing AI alignment as a design process and positioning the editorial standard as a design artefact that translates editorial practice and values into alignment objectives for technical implementation. Last, we discuss how editorial alignment can create space for ongoing participation and give editors agency in LLM-mediated knowledge dissemination.

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