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02.
arXiv (CS.LG) 2026-06-19

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

作者:
Rajan↗Ishaan Gupta↗

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

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03.
arXiv (CS.AI) 2026-06-17

Trust the Right Teacher: Quality-Aware Self-Distillation for GUI Grounding

作者:
Jingyuan Huang↗Zuming Huang↗Yucheng Shi↗Tianze Yang↗Xiaoming Zhai↗Wei Chu↗Ninghao Liu↗

arXiv:2606.18101v1 Announce Type: new Abstract: Graphical user interface (GUI) grounding requires vision-language models (VLMs) to identify small target elements in high-resolution screenshots and predict precise screen coordinates. On-policy self-distillation (OPSD) is a promising post-training approach for this coordinate-sensitive task, since it provides dense token-level teacher signals beyond hard coordinate labels. However, naive OPSD is not well suited to GUI grounding: OPSD evaluates the teacher on student-generated prefixes, the quality of coordinate-token teacher signals can degrade when the prefix has already deviated from the target coordinate, leading to unreliable teacher signal. To mitigate this, We propose quality-aware self-distillation for VLM-based GUI grounding, which improves coordinate-token teacher-signal quality through soft correctness-aware gating and teacher-probability scaling. The soft correctness-aware gate checks whether the teacher's current coordinate-token prediction can still be completed into the ground-truth box under the student-generated prefix. If not, the corresponding teacher signal is down-weighted. Teacher-probability scaling then uses the teacher's confidence as a lightweight factor to further calibrate the strength of the gated supervision. A key empirical finding is that neither component alone improves overall performance, whereas combining them consistently improves performance. This suggests that the two mechanisms play complementary roles: correctness-aware gating suppresses unreliable coordinate-token supervision, while teacher-probability scaling calibrates the strength of the remaining signals. Experiments across six GUI grounding benchmarks show that our method consistently improves the base model and outperforms strong baselines.

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04.
arXiv (CS.CV) 2026-06-16

Cross-Modal Registration Between 3D and 2D Fingerprints via Pose-Aware Unwrapping and Point-Cloud Fusion

作者:
Xiongjun Guan↗Jianjiang Feng↗Jie Zhou↗

Three-dimensional (3D) fingerprints preserve global finger geometry and local ridge structure while avoiding contact-induced deformation, but they remain difficult to integrate with legacy two-dimensional (2D) fingerprint systems. This paper addresses the intermediate stage between 3D acquisition and cross-modal matching, and presents a unified framework for 3D fingerprint preprocessing and registration across contactless and contact-based 2D modalities. The framework combines four components: 1) a nonparametric visualization and unwrapping method that converts a 3D fingerprint point cloud into a rolled-equivalent 2D representation without relying on a global finger-shape model; 2) a point-cloud fusion pipeline that registers and mosaics multiple partial 3D captures into a more complete fingerprint model; 3) an ellipse-based pose normalization method for canonical finger alignment; and 4) a pose-aware cross-modal registration strategy that improves compatibility between 3D fingerprints and both contactless and contact-based 2D fingerprints. Experiments on a self-collected multimodal fingerprint database containing 150 fingers show that the proposed framework achieves ridge-level 3D registration accuracy, robust pose estimation, and consistent gains in 2D compatibility. In particular, the 3D fusion error is concentrated around 0.09 mm, contactless 2D–3D registration reaches ridge-scale projection accuracy, and pose-aware unwrapping improves genuine matching scores relative to generic 3D unwrapping. These results support the use of 3D fingerprints as an effective geometric bridge across heterogeneous fingerprint modalities. The baseline implementation has been publicly released at https://github.com/XiongjunGuan/3DFpVisual.

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05.
arXiv (CS.LG) 2026-06-11

PCS-UQ: Uncertainty Quantification via the Predictability-Computability-Stability Framework

作者:
Abhineet Agarwal↗Fange Xiao↗Rebecca Barter↗Omer Ronen↗Boyu Fan↗Bin Yu↗

arXiv:2505.08784v2 Announce Type: replace-cross Abstract: As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

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

TS-Memory: Plug-and-Play Memory for Time Series Foundation Models

作者:
Sisuo Lyu↗Siru Zhong↗Tiegang Chen↗Weilin Ruan↗Qingxiang Liu↗Taiqiang Lv↗Qingsong Wen↗Raymond Chi-Wing Wong↗Yuxuan Liang↗

arXiv:2602.11550v2 Announce Type: replace-cross Abstract: Time Series Foundation Models (TSFMs) achieve strong zero-shot forecasting through large-scale pre-training, but adapting them to downstream domains under distribution shift remains challenging. Existing solutions face a trade-off: Parametric Adaptation can cause catastrophic forgetting and requires costly multi-domain maintenance, while Non-Parametric Retrieval improves forecasts but incurs high inference latency due to datastore search. We propose Parametric Memory Distillation and implement it as TS-Memory, a lightweight memory adapter that augments frozen TSFMs. TS-Memory is trained in two stages. First, we construct an offline, retrieval-leakage-safe kNN teacher that synthesizes confidence-aware quantile targets from retrieved futures. Second, we distill this retrieval-induced distributional correction into a lightweight memory adapter via confidence-gated supervision. During inference, TS-Memory fuses memory and backbone predictions with constant-time overhead, enabling retrieval-free deployment. Experiments across diverse TSFMs and benchmarks demonstrate consistent improvements in both point and probabilistic forecasting over representative adaptation methods, with efficiency comparable to the frozen backbone. Code: https://github.com/sisuolv/TS-Memory.

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07.
arXiv (CS.AI) 2026-06-16

Towards Unified Song Generation and Singing Voice Conversion with Accompaniment Co-Generation

作者:
Ziyu Zhang↗Chunyu Qiang↗Xiaopeng Wang↗Yuxin Guo↗Kang Yin↗Wenjie Tian↗Jingbin Hu↗Tianlun Zuo↗Zhao Guo↗Teng Ma↗Yuzhe Liang↗Chen Zhang↗…

arXiv:2606.07015v2 Announce Type: replace-cross Abstract: While song generation and singing voice conversion (SVC) have evolved significantly, they have long been developed isolated: the former lacks zero-shot speaker cloning, while the latter overlooks vocal-accompaniment synergy. To bridge this gap, we propose UniSinger, the first end-to-end framework unifying speaker cloning song generation and accompaniment co-generation SVC. Building on the multimodal diffusion transformer, we construct a unified speaker embedding space transferring speaker representation from SVC to song generation, endowing fine-grained cross-task timbre control. To mitigate multi-task optimization conflicts, we design a curriculum learning strategy using task-specific modality masking to guide the model to gradually master the generative mechanisms among semantic content, vocal timbre, and accompaniment. Experiments show state-of-the-art performance on both tasks and realizes complementary benefits, offering new possibilities for intelligent music production.

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08.
arXiv (CS.CL) 2026-06-11

Decoding Multimodal Cues: Unveiling the Implicit Meaning Behind Hateful Videos

作者:
Junyu Lu↗Deyi Ji↗Liqun Liu↗Xiaokun Zhang↗Youlin Wu↗Roy Ka-Wei Lee↗Peng Shu↗Huan Yu↗Jie Jiang↗Bo Xu↗Liang Yang↗Hongfei Lin↗…

Hateful videos have become prevalent on online platforms, highlighting an urgent need for effective detection. However, existing studies primarily focus on binary classification and fail to provide contextual rationales that reveal the implicit meanings behind these judgments, significantly undermining model explainability. To fill this gap, we aim to achieve explainable hateful video detection, enabling models to provide contextual rationales that integrate relevant evidence and logical reasoning alongside decisions. This approach can comprehensively enhance the understanding of video content and the explainability of the decision-making process. We first introduce two datasets, Ex-HateMM and Ex-ImpliHateVid, for explainable hateful video detection. Each dataset provides fine-grained annotations of multimodal harmful elements, along with contextual rationales. We then propose an Information Augmentation and Reasoning Enhancement (IARE) framework designed for explainable detection. The framework employs an information augmentation phase that leverages the multimodal chain-of-thought to integrate harmful elements, thereby enriching rationale evidence. Additionally, IARE incorporates a reasoning enhancement phase, in which Direct Preference Optimization guides the model toward correct reasoning paths and away from incorrect ones, thereby improving the logical coherence of its justifications. We conduct extensive experiments on the two datasets, comparing multiple baselines with our proposed IARE framework. The results demonstrate that IARE achieves state-of-the-art performance while also generating accurate rationales.

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09.
arXiv (CS.CV) 2026-06-18

S3OD: Towards Generalizable Salient Object Detection with Synthetic Data

作者:
Orest Kupyn↗Hirokatsu Kataoka↗Christian Rupprecht↗

Salient object detection exemplifies data-bounded tasks where expensive pixel-precise annotations force separate model training for related subtasks like DIS and HR-SOD. We present a method that dramatically improves generalization through large-scale synthetic data generation and ambiguity-aware architecture. We introduce S3OD, a dataset of over 139,000 high-resolution images created through our multi-modal diffusion pipeline that extracts labels from diffusion and DINO-v3 features. The iterative generation framework prioritizes challenging categories based on model performance. We propose a streamlined multi-mask decoder that handles the inherent ambiguity in salient object detection by predicting multiple valid interpretations. Models trained only on synthetic data achieve 20-50% error reduction in cross-dataset generalization, while fine-tuned versions reach state-of-the-art performance across DIS and HR-SOD benchmarks.

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10.
medRxiv (Medicine) 2026-06-15

Modelling the public-health impact of indoor air quality interventions on respiratory virus transmission

作者:
Howes↗Jeyapragasan↗Williamson↗Carel↗Koos↗Swett↗J. L↗Montavon↗Belenky↗Lietar↗Fitzjohn↗Charles↗…

Respiratory virus transmission occurs in indoor settings where ventilation, occupancy, and dwell time determine exposure levels. Improving indoor air quality (IAQ) therefore could help reduce disease burden associated with respiratory viruses, yet its population-level impact remains poorly quantified. Here, we develop an individual-based transmission modelling framework that links within-location airborne dynamics to individual infection risk and population-level spread, whilst explicitly incorporating heterogeneity in ventilation and baseline indoor air quality across locations. We use this modelling approach to evaluate IAQ-improving interventions (air-quality interventions or AQIs), using hypothetical endemic and pandemic pathogen archetypes with properties similar to SARS-CoV-2 and influenza, and evaluate how effects on key epidemiological metrics (such as annualized incidence and epidemic final size) depend on AQI coverage, efficacy and allocation strategy. At 20% AQI intervention coverage and 80% efficacy, annualized incidence was reduced by approximately 7.2% for an endemic 'SARS-CoV-2-like' respiratory virus, and 17.0% for an endemic 'influenza-like' virus; at 60% coverage (80% efficacy) the reductions were 26.3% and 56.4%, respectively. Targeting AQI installation to the highest-risk locations outperformed random allocation: for SARS-CoV-2-like transmission, 20% coverage at 80% efficacy cut absolute incidence by 10.8% when targeted versus 7.2% when random; for influenza-like transmission, this comparison was 28.9% versus 17.0%. In epidemic scenarios, random installation at 40% coverage and 60% efficacy reduced final size by 23.7% (influenza-like) versus 6.3% (SARS-CoV-2-like). These results support treating clean indoor air as core public-health infrastructure and prioritising risk-based deployment of IAQ-improving interventions to maximise population-level benefit within budgetary and operational constraints.

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11.
arXiv (CS.CV) 2026-06-15

High-Fidelity Video Compression based on Invertible Neural Transform and Implicit Conditioning

作者:
Siyue Teng↗Ho Man Kwan↗Yuxuan Jiang↗Fan Zhang↗David Bull↗

Learning-based video compression has recently achieved competitive rate-distortion performance compared to conventional video codecs. However, most existing methods rely on non-invertible analysis-synthesis transforms, with reconstruction quality subject to both quantization and transform approximation errors. This limitation becomes particularly restrictive at higher quality points, where quantization errors are small and transform-induced distortion dominates. To address this, we propose InnVC, an Invertible neural network based Video Codec for wide-range and high-fidelity compression. The core idea is to preserve an invertible main transform path prior to quantization, while injecting content-adaptive context through a compact implicit conditioning field. This decouples strongly correlated video content from harder-to-model fine details, allowing different components to specialize in complementary reconstruction tasks for more efficient compression. To further improve compressibility, we introduce a scheduled masking strategy that progressively concentrates informative content into fewer latent channels for more effective entropy coding. Experiments on the UVG and MCL-JCV benchmarks show that InnVC achieves strong compression performance over a broad quality range, being particularly effective in the high-quality regime, yielding BD-rate reductions of 21.66% in PSNR and 46.06% in MS-SSIM relative to x265 on UVG. To the best of our knowledge, InnVC is the first neural video codec covers operating poins from low bitrate to high fidelity within a single architecture scale, spanning more than 20 dB in PSNR.

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12.
arXiv (CS.CV) 2026-06-17

Advances in 4D Representation: Geometry, Motion, and Interaction

作者:
Mingrui Zhao↗Sauradip Nag↗Kai Wang↗Aditya Vora↗Guangda Ji↗Peter Chun↗Ali Mahdavi-Amiri↗Hao Zhang↗

We present a survey on 4D generation and reconstruction, a fast-evolving subfield of computer graphics whose developments have been propelled by recent advances in neural fields, geometric and motion deep learning, as well as 3D generative artificial intelligence (GenAI). While our survey is not the first of its kind, we build our coverage of the domain from a unique and distinctive perspective of 4D representations, to model 3D geometry evolving over time while exhibiting motion and interaction. Specifically, instead of offering an exhaustive enumeration of many works, we take a more selective approach by focusing on representative works to highlight both the desirable properties and ensuing challenges of each representation under different computation, application, and data scenarios. The main take-away message we aim to convey to the readers is on how to select and then customize the appropriate 4D representations for their tasks. Organizationally, we separate the 4D representations based on three key pillars: geometry, motion, and interaction. Our discourse will not only encompass the most popular representations of today, such as neural radiance fields (NeRFs) and 3D Gaussian Splatting (3DGS), but also bring attention to relatively under-explored representations in the 4D context, such as structured models and long-range motions. Throughout our survey, we will reprise the role of large language models (LLMs) and video foundational models (VFMs) in a variety of 4D applications, while steering our discussion towards their current limitations and how they can be addressed. We also provide a dedicated coverage on what 4D datasets are currently available, as well as what is lacking, in driving the subfield forward. Project page:https://mingrui-zhao.github.io/4DRep-GMI/

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13.
arXiv (quant-ph) 2026-06-19

Battery-Explicit Thermodynamic Witnesses of Bell Post-Quantumness

作者:
Piotr \'Cwikli\'nski↗

arXiv:2605.09149v3 Announce Type: replace Abstract: We introduce a battery-explicit thermodynamic witness of post-quantum Bell correlations. In each round, a single supplied excitation is routed into an explicit two-level battery if and only if a Bell-game condition is satisfied. The routing operation is implemented by an energy-preserving controlled SWAP, with all logical control registers taken to be degenerate. Thus the correlation resource does not create energy; it only determines the probability that the supplied excitation reaches the battery. The construction is first formulated for finite two-player XOR games. For any such game, the mean battery charge is exactly the game success probability multiplied by the battery gap. Optimizing over local, quantum, or nonsignalling behaviours therefore turns the corresponding game values into local, quantum, or nonsignalling thermodynamic ceilings. For the CHSH game, Tsirelson's bound becomes a strict quantum ceiling on the mean battery charge, while a PR-box behaviour reaches the single-excitation cap. The witness is trusted-module rather than device-independent: it assumes calibrated Hamiltonians, correct classical wiring, and a trusted energy-preserving battery module. We also discuss a reversible-controller implementation, finite-statistics certification from work data, robustness to imperfect battery readout, and cyclic bookkeeping showing that no positive net work is obtained once fuel restoration and memory erasure are included.

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14.
arXiv (CS.LG) 2026-06-17

Uncertainty Quantification for Flow-Based Vision-Language-Action Models

作者:
Ralf R\"omer↗Maximilian Seeliger↗Saida Liu↗Ben Sturgis↗Marco Bagatella↗Daniel Marta↗Andreas Krause↗Angela P. Schoellig↗

arXiv:2606.18043v1 Announce Type: cross Abstract: Vision-language-action models (VLAs) combine vision-language backbones with expressive generative action heads trained via flow matching on large-scale robotic datasets. Despite their strong empirical performance in robotic manipulation, VLAs lack mechanisms to quantify confidence in their predictions and to detect when their actions may be unreliable. This presents a critical limitation for real-world deployment in non-stationary environments, where models inevitably encounter scenarios outside their pretraining distribution and may fail without warning. To address this, we derive an efficient method for quantifying epistemic uncertainty in flow-matching models by leveraging velocity-field disagreement (VFD) across a small ensemble. We successfully use this uncertainty estimate for failure detection during deployment and active fine-tuning of flow-based VLAs. To this end, we propose SAVE, a framework for uncertainty-guided active multitask fine-tuning that reduces the number of costly expert demonstrations required to adapt VLAs to new tasks. Through extensive experiments on the LIBERO benchmark, we demonstrate that VFD yields better-calibrated uncertainty estimates predictive of downstream performance, that VFD achieves strong performance in detecting failures, and that uncertainty-guided data acquisition with SAVE requires at least 22% fewer samples than baselines. In summary, our work shows that quantifying epistemic uncertainty in flow-based VLAs improves both failure awareness and adaptation. Project website: tum-lsy.github.io/uq_vla/.

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

Competition and Diversity in Generative AI

作者:
Manish Raghavan↗

arXiv:2412.08610v3 Announce Type: replace-cross Abstract: Recent evidence, both in the lab and in the wild, suggests that the use of generative artificial intelligence reduces the diversity of content produced. The use of the same or similar AI models appears to lead to more homogeneous behavior. Our work begins with the observation that there is a force pushing in the opposite direction: competition. When producers compete with one another (e.g., for customers or attention), they are incentivized to create novel or unique content. We explore the impact competition has on both content diversity and overall social welfare. Through a formal game-theoretic model, we show that competitive markets select for diverse AI models, mitigating monoculture. We further show that a generative AI model that performs well in isolation (i.e., according to a benchmark) may fail to provide value in a competitive market. Our results highlight the importance of evaluating generative AI models across the breadth of their output distributions, particularly when they will be deployed in competitive environments. We validate our results empirically by using language models to play Scattergories, a word game in which players are rewarded for answers that are both correct and unique. Overall, our results suggest that homogenization due to generative AI is unlikely to persist in competitive markets, and instead, competition in downstream markets may drive diversification in AI model development.

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

Extracting Governing Equations from Latent Dynamics via Multi-View Contrastive Learning

作者:
Paolo Muratore↗Mackenzie Weygandt Mathis↗

arXiv:2606.13260v1 Announce Type: new Abstract: Identifying latent dynamical systems from noisy, high-dimensional measurements is a central problem at the intersection of representation learning, system identification, and scientific discovery. We present DYSCO, a multi-view temporal contrastive learning algorithm that jointly recovers latent trajectories and the governing dynamics from such observations, by leveraging multiple independent noisy views of the same underlying process to disentangle signal from noise. By parameterizing the dynamics in a structured functional basis, our framework further enables symbolic recovery of the governing equations within an affine gauge. We offer theoretical guarantees for strong identification up to an affine indeterminacy, extending prior identifiability results to the realistic setting of noisy nonlinear observations. Empirically, we demonstrate accurate recovery of both latent trajectories and flow fields across a diverse set of dynamical regimes (e.g., chaotic, oscillatory, and metastable) under both Gaussian and Poisson observation noise, the latter being particularly relevant for neural recordings.

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

When Rules Learn: A Self-Evolving Agent for Legal Case Retrieval

作者:
Mingxu Tao↗Jiawei Hu↗Xian Zhou↗Wenpeng Hu↗Jiajun Cheng↗Yunbo Cao↗Zhunchen Luo↗Guotong Geng↗

arXiv:2606.17220v1 Announce Type: new Abstract: Legal case retrieval remains challenging due to the complexity of legal language and the need for precise lexical alignment between queries and relevant cases. Although dense retrieval models have achieved notable progress, empirical studies show that BM25 continues to serve as a strong baseline in this domain. It motivates us to propose a self-evolving framework for rule-driven query rewriting that enhances BM25 without any parameter training. The framework equips an LLM-based agent with an automatic evaluation environment, enabling it to iteratively create rewriting rules, plan validation experiments over rule combinations, and eliminate ineffective rules based on historical feedbacks. We evaluate our method on the Chinese legal case retrieval benchmark LeCaRD-v2. Experimental results demonstrate that the proposed framework outperforms non-evolutionary baselines, including human-designed rules and greedy rule selection, particularly when powered by a highcapacity core LLM. We also conduct detailed analyses to investigate the mechanisms underlying self-evolution. Our findings reveal that LLM's capabilities to leverage previous experimental results and its intrinsic knowledge of rule elimination play critical roles in refining the rule set via self-evolution.

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18.
arXiv (quant-ph) 2026-06-11

Dissociative recombination and ion-pair formation in $\mathrm{HeH^+}$ isotopologues: A time-dependent wave-packet study including rotational coupling

作者:
Sifiso Musa Nkambule↗Malibongwe Tsabedze↗Oscar N. Mabuza↗Mbuso K. Matfunjwa↗

arXiv:2606.11352v1 Announce Type: cross Abstract: We present a comprehensive theoretical investigation of dissociative recombination (DR) and resonant ion-pair (RIP) formation in $\mathrm{HeH^+}$ isotopologues using time-dependent wave-packet propagation methods. Nuclear dynamics are treated on a set of 23 coupled electronic states, including $^2\Sigma$, $^2\Pi$, and $^2\Delta$ symmetries, in both adiabatic and strictly diabatic representations, with rotational couplings explicitly included. Reaction cross sections are computed over collision energies ranging from 0 to 50 eV. The results reveal that inclusion of a large manifold of resonant states and rotational couplings significantly enhances the DR cross section relative to earlier theoretical studies. In the diabatic representation, $^2\Sigma$ states dominate the recombination dynamics, while in the adiabatic representation, $^2\Pi$ and $^2\Delta$ states contribute significantly at low collision energies. For RIP formation, two different diabatization schemes yield systematically larger cross sections than previous models, highlighting the sensitivity of ion-pair production to electronic coupling structure. Isotopic effects are examined, showing a clear inverse dependence of cross section magnitude on reduced mass. The present results underscore the importance of multi-state coupling and nonadiabatic effects in accurately describing electron-molecule collision processes in primordial and astrophysical plasmas.

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19.
arXiv (CS.CV) 2026-06-19

RC-GeoCP: Geometric Consensus for Radar-Camera Collaborative Perception

作者:
Xiaokai Bai↗Lianqing Zheng↗Runwei Guan↗Siyuan Cao↗Songkai Wang↗Huiliang Shen↗

Collaborative perception (CP) enhances scene understanding through multi-agent information sharing. While LiDAR-centric systems offer precise geometry, high costs and performance degradation in adverse weather necessitate multi-modal alternatives. Despite dense visual semantics and robust spatial measurements, the synergy between cameras and 4D radar remains underexplored in collaborative settings. This work introduces RC-GeoCP, the first framework to explore the fusion of 4D radar and images in CP. To resolve misalignment caused by depth ambiguity and spatial dispersion across agents, RC-GeoCP establishes a radar-anchored geometric consensus. Specifically, Geometric Structure Rectification (GSR) aligns visual semantics with geometry derived from radar to generate spatially grounded, geometry-consistent representations. Uncertainty-Aware Communication (UAC) formulates selective transmission as a conditional entropy reduction process to prioritize informative features based on inter-agent disagreement. Finally, the Consensus-Driven Assembler (CDA) aggregates multi-agent information via shared geometric anchors to form a globally coherent representation. We establish the first unified radar-camera CP benchmark on V2X-Radar and V2X-R, demonstrating state-of-the-art performance with significantly reduced communication overhead. Code will be released soon.

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20.
arXiv (CS.AI) 2026-06-18

Clin-JEPA: A Multi-Phase Co-Training Framework for Joint-Embedding Predictive Pretraining on EHR Patient Trajectories

作者:
Yixuan Yang↗Mehak Arora↗Ryan Zhang↗Baraa Abed↗Junseob Kim↗Tilendra Choudhary↗Md Hassanuzzaman↗Kevin Zhu↗Ayman Ali↗Chengkun Yang↗Alasdair Edward Gent↗Victor Moas↗…

arXiv:2605.10840v3 Announce Type: replace-cross Abstract: We present Clin-JEPA, a multi-phase co-training framework for joint-embedding predictive (JEPA) pretraining on EHR patient trajectories. JEPA architectures have enabled latent-space planning in robotics and high-quality representation learning in vision, but extending the paradigm to EHR data – to obtain a single backbone that simultaneously forecasts patient trajectories and serves diverse downstream risk-prediction tasks without per-task fine-tuning – remains an open challenge. Existing JEPA frameworks either discard the predictor after pretraining (I-JEPA, V-JEPA) or train it on a frozen pretrained encoder (V-JEPA 2-AC), leaving the encoder unaware of the rollout signal that the retained predictor must use at inference; co-training the encoder and predictor under a shared JEPA prediction objective would supply this grounding, but naïve co-training is unstable, with representation collapse and online/target drift causing autoregressive rollout to diverge. Clin-JEPA's five-phase pretraining curriculum – predictor warmup, joint refinement, EMA target alignment, hard sync, and predictor finalization – addresses each failure mode by phase, stably co-training a Qwen3-8B-based encoder and a 92M-parameter latent trajectory predictor. On MIMIC-IV ICU data, three independent evaluations support the framework: (1) latent $\ell_1$ rollout drift uniquely converges ($-$15.7%) over 48-hour horizons while baselines and ablations diverge (+3% to +4951%); (2) the encoder learns a clinically discriminative latent geometry (deteriorating-patient cohorts displace 4.83$\times$ further than stable patients in latent space, vs $\leq$2.62$\times$ for baseline encoders); (3) a single backbone outperforms strong tabular and sequence baselines on multi-task downstream evaluation. Clin-JEPA achieves mean AUROC 0.851 on ICareFM EEP and 0.883 on 8 binary risk tasks (+0.038 and +0.041 vs baseline average).

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21.
arXiv (CS.AI) 2026-06-16

Large Language Models as Optimizers: A Survey of Direct vs. Tool-Augmented Approaches and Their Performance Frontiers

作者:
Roko Peran↗Luka Hobor↗Mihael Kovac↗Mario Brcic↗

arXiv:2606.15577v1 Announce Type: new Abstract: Large Language Models (LLMs) are increasingly involved in complex mathematical optimization, even if the pragmatic user who triggers them is unaware of it. After all, many real-world problems reduce to the search for better or the best solutions. The field of LLM-as-optimizer has three paradigms: direct optimization, tool-augmented optimization, and tool-creating optimization. Direct optimization uses iterative prompting and heuristic generation to navigate solution spaces. Tool-augmented optimization translates natural language problems into formal specifications and orchestrates external solvers. Tool-creating optimization goes further, using LLMs to discover reusable algorithms or heuristics that can be deployed at zero marginal LLM cost. We describe current performance frontiers based on the benchmarks from the literature. We identify the critical reasoning gap in current architectures and argue for trade-offs between the future potential of direct optimization and the auditability of tool-augmented optimization. Even future, more powerful models might opt for tool-making to improve operational efficiency for repetitive families of problems.

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22.
arXiv (CS.CV) 2026-06-16

Timestep Rescheduling in Diffusion Inversion

作者:
Shangquan Sun↗Ting Gong↗Zhirui Liu↗Jiamin Wu↗Runkai Zhao↗Mianxin Liu↗Wenqi Ren↗Xiaochun Cao↗

Diffusion inversion, which maps images back to the Gaussian latent space of a diffusion model, is a critical task for image reconstruction and editing. While DDIM enables fast deterministic inversion, it inherently introduces deviations that accumulate into noticeable inversion errors. Existing methods often address this by solving a fixed-point problem but largely overlook how the selection of the diffusion timestep in the noise scheduler influences inversion fidelity. In this work, we reveal that the deviation scale in diffusion inversion is strongly dependent on the timestep size, and exhibits a parabolic trend, with larger errors concentrated at both small and large timesteps. Based on this finding, we propose a simple yet effective nonuniform timestep scheduler that integrates a global rescaling with a local dynamic programming based rescheduling, enabling a strategic allocation of computational effort that minimizes the overall inversion error and preserves higher inversion accuracy. Our method serves as an off-the-shelf enhancement for existing inversion techniques and requires no extra parameters or computational overhead. Through extensive experiments, we verify that integrating our scheduler consistently boosts the performance of existing inversion methods, achieving superior results in image reconstruction and editing.

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

GrowLoop: Self-Evolving Conversation Evaluation Seeded by Human

作者:
Yihang Lin↗Yunze Gao↗Zeyang Lin↗Dongbo Li↗Kun Peng↗Yue Liu↗

With the rapid advancement of large language models, evaluating human-likeness in open-ended conversation has become increasingly important. However, human-likeness is a form of tacit knowledge that humans perceive intuitively, yet the underlying criteria resist explicit formulation. Human judgments vary widely, with strong agreement on some cases and legitimate disagreement on others. Meanwhile, the criteria behind human judgments remain implicit, leaving no clear basis for constructing cases. Further, what counts as human-likeness is not static, but evolving with model capability and human expectations. Despite progress in evaluation methods such as expert-authored benchmarks, Reward Models, and self-evolving benchmarks, none addresses all three challenges simultaneously. Therefore, we propose GrowLoop, a self-evolving conversation evaluation system that continuously adapts as models advance and scenarios shift. Starting from minimal human seed annotations, LLM agents iteratively extract and refine evaluation rubrics through Heuristic Learning. Human-AI agreement is required where annotators converge, while only plausibility is expected where they diverge. Moreover, the Rubric-Case co-evolution mechanism enables continuous evolution. When the evaluation target shifts, new human seeds expand the system's coverage accordingly. When applied to human-likeness evaluation in open-ended conversation, the AI judge guided by these rubrics not only substantially outperforms existing methods in alignment with human judgments, but also uncovers issues that annotators overlook. The resulting benchmark effectively discriminates models across capability tiers and reveals where they fall short, while generalizing to new scenarios and adapting as models advance. Our work shifts the benchmarking paradigm from manual updates or difficulty scaling to comprehensive, continuous self-evolution.

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24.
arXiv (CS.LG) 2026-06-17

Overcoming the Incentive Collapse Paradox

作者:
Qichuan Yin↗Ziwei Su↗Shuangning Li↗

arXiv:2603.27049v2 Announce Type: replace-cross Abstract: AI-assisted task delegation is increasingly common, yet human effort in such systems is costly and typically unobserved. Recent work by Bastani and Cachon (2025); Sambasivan et al. (2021) shows that accuracy-based payment schemes suffer from incentive collapse: as AI accuracy improves, sustaining positive human effort requires unbounded payments. We study this phenomenon in a budget-constrained principal-agent framework with strategic human agents whose output accuracy depends on unobserved effort. Our first contribution is a general impossibility result showing that incentive collapse is not merely a limitation of simple linear payments, but arises for any payment rule based only on observed task accuracy.To overcome this barrier, we propose a sentinel-auditing payment mechanism that enforces a strictly positive and controllable level of human effort at finite cost, independent of AI accuracy. Building on this incentive-robust foundation, we develop an incentive-aware active statistical inference framework that jointly optimizes (i) the auditing rate and (ii) active sampling and budget allocation across tasks of varying difficulty to minimize the final statistical loss under a single budget. Experiments demonstrate improved cost-error tradeoffs relative to standard active learning and auditing-only baselines.

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25.
arXiv (CS.AI) 2026-06-18

Robust Regularized Policy Iteration under Transition Uncertainty

作者:
Hongqiang Lin↗Zhenghui Fu↗Weihao Tang↗Pengfei Wang↗Yiding Sun↗Qixian Huang↗Dongxu Zhang↗

arXiv:2603.09344v3 Announce Type: replace Abstract: Offline reinforcement learning (RL) enables data-efficient and safe policy learning without online exploration, but its performance often degrades under distribution shift. The learned policy may visit out-of-distribution state-action pairs where value estimates and learned dynamics are unreliable. To address policy-induced extrapolation and transition uncertainty in a unified framework, we formulate offline RL as robust policy optimization, treating the transition kernel as a decision variable within an uncertainty set and optimizing the policy against the worst-case dynamics. We propose Robust Regularized Policy Iteration (RRPI), which replaces the intractable max-min bilevel objective with a tractable KL-regularized surrogate and derives an efficient policy iteration procedure based on a robust regularized Bellman operator. We provide theoretical guarantees by showing that the proposed operator is a $\gamma$-contraction and that iteratively updating the surrogate yields monotonic improvement of the original robust objective with convergence. Experiments on D4RL benchmarks demonstrate that RRPI achieves strong average performance, outperforming recent baselines including percentile-based methods on the majority of environments while remaining competitive on the rest. Moreover, RRPI exhibits robust performance by aligning lower $Q$-values with high epistemic uncertainty, which prevents the policy from executing unreliable out-of-distribution actions.

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