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01.
Nature (Science) 2026-06-22

Will AI spark a scientific renaissance — or a diffuse monoculture?

作者:
Xizhe Zhang↗

Artificial intelligence’s ability to enrich science will depend not only on model capability, but also on whether researchers, reviewers and funders reward originality over speed. Artificial intelligence’s ability to enrich science will depend not only on model capability, but also on whether researchers, reviewers and funders reward originality over speed.

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02.
arXiv (quant-ph) 2026-06-12

Matrix phase-space representations for gaussian boson sampling

作者:
Peter D. Drummond↗Alexander S. Dellios↗Margaret D. Reid↗

arXiv:2503.12749v2 Announce Type: replace Abstract: We introduce coherent matrix phase-space distributions. These use conservation laws and symmetries to improve the accuracy and speed of quantum phase-space representations. As an example, this is applied to validation of low-loss Gaussian boson sampling (GBS) quantum computational advantage experiments, where classical generation of the random photon-number counts is exponentially hard. Large improvements in sampling errors are demonstrated compared to previous methods. Matrix phase-space representations also provide a large numerical speed-up, due to their (at worst) quadratic scaling, compared to other methods for validating total count probabilities of large-scale, low-loss GBS networks.

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03.
medRxiv (Medicine) 2026-06-18

Avidity of anti-pertussis toxin antibodies is associated with symptomatic Bordetella pertussis infection in a novel controlled human infection model

作者:
Espinosa--Vinals↗Obeid↗Redden↗K. L↗ElSherif↗M. S↗Edwards↗K. M↗Halperin↗Abu-Raya↗

Background The association between functional antibody responses following Bordetella pertussis infection and symptomatic disease remains unclear. We characterized the maturation of anti-pertussis toxin (PT) IgG avidity after human challenge with B. pertussis and determined its association with symptomatic infection. Methods Healthy adults were intranasally inoculated with live B. pertussis organisms in a controlled human infection model and monitored for development of pertussis symptoms (NCT05136599). Serum samples were collected one day before inoculation and at 14, 28, 56, 180, and 365 days post challenge. Anti PT IgG avidity was tested using a titration of ammonium isothiocyanate (the bond breaking agent) to quantify a wide range of antibody avidities from low to very-high. Associations between covariates and avidity were examined using linear regression models, and high dimensional analyses were used to integrate all data. Findings Anti PT IgG avidity increased in both symptomatic (n=20) and asymptomatic (n=10) participants after the challenge, reached maximum levels at day 56, and then declined through day 365. Symptomatic participants developed significantly higher levels of high- and very high-avidity anti-PT antibodies at 28, 56, 180, and 365 days post-challenge compared with those who remained asymptomatic. In multivariate analyses, symptomatic infection was associated with higher levels of high and very high avidity anti-PT IgG at day180 and365 after challenge. Distinct avidity profiles in symptomatic vs asymptomatic participants emerged at day28 onwards, with the former group having higher levels of antibodies with higher avidities. However, levels of medium-high, high and very high avidity antibodies in symptomatic participants were lower at day 365 after challenge compared to their peak levels. Interpretation Anti-PT IgG avidity was associated with symptomatic B. pertussis infection and thus may serve as a surrogate of clinical disease outcome. These results highlight that antibody avidity provides an additional functional assay besides antibody quantitation to dissect immune responses to pertussis. Further investigation of anti PT IgG avidity should be pursued in natural pertussis outbreaks to determine whether it might be used to differentiate symptomatic from asymptomatic infections for epidemiologic purposes.

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

A PubMed-Scale Dataset of Structured Biomedical Abstracts

作者:
Chia-Hsuan Chang↗Haerin Song↗Brian Ondov↗Hua Xu↗

Structured abstracts are important for biomedical literature processing, by facilitating information retrieval, text mining, and knowledge synthesis. However, a vast portion of abstracts indexed in PubMed remain unstructured, presenting a significant bottleneck for downstream text-processing workflows and applications. To resolve this limitation, we introduce Structured PubMed, a comprehensive corpus of section-labeled biomedical abstracts compiled from the complete PubMed database, encompassing over 23.2 million research-article records. The corpus is divided into two distinct subsets: a collection of 5.9 million author-structured abstracts parsed from official XML files, and an automatically labeled collection of 17.2 million originally unstructured abstracts structured via a verbatim-extraction Large Language Model pipeline. Every record is harmonized under a unified five-section schema and mapped to its original PubMed identifier, publication type, and publication date. This dataset can be utilized to train sentence-classification models, benchmark text-segmentation architectures, and perform large-scale, section-specific information extraction at an unprecedented PubMed-wide scale.

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05.
arXiv (quant-ph) 2026-06-17

Optimizing bias-tailored quantum error correction beyond code-capacity noise

作者:
C\'esar Benito↗I. Jes\'an Vel\'azquez-Res\'endiz↗Alejandro Bermudez↗

arXiv:2606.17709v1 Announce Type: new Abstract: We find that the substantial advantages predicted for bias-tailored quantum error correction (QEC) under code-capacity noise are strongly reduced once realistic syndrome extraction and circuit-level noise models are considered. We start by comparing XZZX codes to rectangular surface codes with a bias-dependent optimised anisotropy. Although code-capacity simulations predict an advantage of rectangular surface codes in the limit of high noise bias, this actually disappears under circuit-level noise, making the XZZX codes the preferred and simplest choice even for platforms that allow for a flexible variation of the code layout adapted to changes in noise calibration. Our results identify bias degradation during syndrome extraction under circuit-level noise as the central limitation of biased-tailored QEC. To partially mitigate this effect, we introduce a bias-filtering CNOT gadget that temporarily encodes the ancillary target qubit during syndrome extraction in a repetition code and, upon measurement and feed forward, manages to reduce the bias degradation. In a regime of high-bias and low-idle errors, this bias-filtering gadget yields a few-percent relative improvement of the XZZX code error threshold, demonstrating that lightweight bias-filtering strategies can recover part of the lost bias-tailoring advantage for realistic circuit-level noise.

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

Rethinking Shrinkage Bias in LLM FP4 Pretraining: Geometric Origin, Systemic Impact, and UFP4 Recipe

作者:
Qian Zhao↗Kunlong Chen↗Changxin Tian↗Zhonghui Jiang↗Haitao Zhang↗Chaofan Yu↗Peijie Jiang↗Mingliang Gong↗Jia Liu↗Ziqi Liu↗Zhiqiang Zhang↗Jun Zhou↗…

arXiv:2606.20381v1 Announce Type: new Abstract: FP4 training promises substantial reductions in memory and computation cost for LLM pretraining, yet current FP4 hardware paths and recipes, including NVIDIA Blackwell/Rubin-class systems and AMD MI350-series GPUs, remain centered on E2M1 data elements. In this study, we identify a fundamental limitation of that choice: non-uniform formats such as E2M1 inherently suffer from Shrinkage Bias, a systematic negative rounding error caused by the geometric asymmetry of their representable bins. We show that this bias accumulates multiplicatively across layers and is amplified by the Random Hadamard Transform (RHT), providing a unified explanation for the training instability observed in existing E2M1-based FP4 recipes. In contrast, uniform grids (E1M2/INT4) bypass this grid-geometry error and better convert the improved bucket utilization from RHT into higher quantization quality. Based on this finding, we propose UFP4, a uniform 4-bit training recipe that applies RHT to all three training GEMMs while restricting stochastic rounding to dY alone. On Dense 1.5B, MoE 7.9B, and MoE 124B long-run pretraining, UFP4 consistently achieves lower BF16-relative loss degradation than strong E2M1-based baselines, supported by scaling-law analysis and ablation studies. Our results suggest that future accelerators should support E1M2/INT4-style uniform 4-bit grids as first-class training primitives alongside E2M1.

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07.
arXiv (math.PR) 2026-06-17

Moment generating function of the tacnode process

作者:
Taiyang Xu↗

arXiv:2606.17771v1 Announce Type: cross Abstract: The tacnode process is a universal determinantal point process arising in non-intersecting particle systems and random tiling models. In this paper, we study the generating function for the counting functions of the tacnode process on a union of $m$ intervals, $m\in\mathbb{N}^{+}$. Our first result provides an integral representation for the $m$-point generating function in terms of the Hamiltonian governing a system of $8m+4$ coupled differential equations. Combined with several differential identities for this Hamiltonian, the representation yields the large gap asymptotics, up to and including the constant term. As further applications, we obtain asymptotic formulae for the expectations, variances, and covariances of the counting functions, and establish a central limit theorem for their joint fluctuations. These results extend the previously known $1$-point theory for the tacnode process to the multi-interval setting with multiple discontinuities.

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

LAST: Bridging Vision-Language and Action Manifolds via Gromov-Wasserstein Alignment

作者:
Huaihai Lyu↗Chaofan Chen↗Yuheng Ji↗Xiansheng Chen↗Pengwei Wang↗Shanghang Zhang↗Changsheng Xu↗

We take a Gromov-Wasserstein perspective on Vision-Language-Action (VLA) learning, where the goal is to make the relational geometry of action representations compatible with the semantic geometry of VL embeddings. However, this alignment is non-trivial due to the mathematical heterogeneity between the domains: the semantic space of vision-language is topologically linear and isotropic, whereas the physical manifold of robotic action is non-Euclidean and anisotropic. Their disjoint metric structures render direct regression ill-posed. To resolve this incompatibility, we introduce LAST (Lie-algebraic Action Space Tokenizer), which reconstructs the action space to establish local metric compatibility with the VL modality via a two-stage transformation: (1) Global Topological Linearization: linearizing the action manifold via Lie-algebraic mapping, converting trajectories into a fixed-length, physically additive representation. (2) Local Metric Discretization: hierarchically discretizing the representation into schemas and whitened residuals, yielding approximately isotropic local charts that are statistically aligned with the semantic metric. By resolving the structural mismatch at both global and local levels, LAST enables VLA models with superior convergence and generalizability.

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09.
arXiv (CS.AI) 2026-06-15

LEPO: Latent Reasoning Policy Optimization for Large Language Models

作者:
Yuyan Zhou↗Jiarui Yu↗Hande Dong↗Zhezheng Hao↗Hong Wang↗Jianqing Zhang↗Qiang Lin↗

arXiv:2604.17892v4 Announce Type: replace-cross Abstract: Recently, latent reasoning has been introduced into large language models (LLMs) to leverage rich information within a continuous space. However, without stochastic sampling, these methods inevitably collapse to deterministic inference, failing to discover diverse reasoning paths. To bridge the gap, we inject controllable stochasticity into latent reasoning via Gumbel-Softmax, restoring LLMs' exploratory capacity and enhancing their compatibility with Reinforcement Learning (RL). Building on this, we propose \underline{L}atent R\underline{e}asoning \underline{P}olicy \underline{O}ptimization~(LEPO), a novel framework that applies RL directly to continuous latent representations. Specifically, in rollout stage, LEPO maintains stochasticity to enable diverse trajectory sampling, while in optimization stage, LEPO constructs a unified gradient estimation for both latent representations and discrete tokens. Extensive experiments show that LEPO significantly outperforms existing RL methods for discrete and latent reasoning.

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10.
bioRxiv (Bioinfo) 2026-06-13

Testing the reliability of AI-generated protein structures

作者:
Xu↗Salzberg↗

Although AlphaFold2 and its competitors have demonstrated remarkable abilities to predict protein structure, more work is needed to explore the limitations of these methods. Here we investigated the reliability of AlphaFold2 and ColabFold by creating a set of realistic but false protein sequences, using ColabFold to predict their structure, and then asking how often the program produces a high-scoring structure for a sequence that does not represent a protein. We determined that AlphaFold2 has a very small but non-zero false positive rate, estimated here at approximately 1 in 435 if one uses a threshold pLDDT score of 70 to define positive predictions. We also discovered, serendipitously, that some high-scoring sequences in the human genome were not false positives, but instead were previously unknown and un-annotated pseudogenes. These latter findings indicate that some well-established human annotations of protein-coding genes may have incorrectly extended the 5-prime untranslated regions too far. They also suggest that the false positive rate of AlphaFold2 is low enough that almost any high-scoring structure, even in a noncoding region, is worthy of further investigation.

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11.
arXiv (CS.CV) 2026-06-16

Show the Signal, Hide the Noise: Spectral Forcing for Pixel-Space Diffusion

作者:
Weichen Fan↗Haiwen Diao↗Penghao Wu↗Ziwei Liu↗

Pixel-space diffusion models are trained on full-bandwidth noisy images, yet the useful signal available to the denoiser is strongly frequency dependent. Under rectified-flow diffusion and natural-image power-law spectra, the per-band data-to-noise contour $k^{*}(t) = (1-t)^{-2/\alpha}$ separates a signal-bearing low-frequency region from a noise-dominated high-frequency region at each time $t$. We show that this implicit coarse-to-fine structure is not merely descriptive: it induces a capacity-allocation problem. A standard pixel-space denoiser must discover the moving bandwidth boundary internally and can spend computation on frequency-time regions where the optimal prediction collapses to deterministic baselines rather than data-distribution modeling. To make this boundary explicit, we introduce Spectral Forcing, a parameter-free, time-conditional 2D-DCT low-pass operator applied to the noisy input before the patch embedder. Its cutoff expands monotonically with the diffusion time and becomes the identity at the data endpoint. Through controlled synthetic experiments, we identify the regime in which the operator is beneficial: coarse patch tokenization and data whose high-frequency content is predominantly noise rather than essential signal. On ImageNet-256 with JiT-700M/32, Spectral Forcing consistently improves both FID and Inception Score across different training epochs, demonstrating robust gains throughout training; at finer tokenization, the spectral forcing is still competitive. We further insert the unchanged operator into SenseNova-U1, a unified text-to-image model, where it improves DPG-Bench and GenEval, showing that the input-side spectral prior transfers beyond class-conditional generation. These results suggest a route to capacity-efficient pixel-space diffusion by showing the signal and hiding the noise.

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

Aerial Wildfire Suppression Planning with a Hybrid CNN-Cellular Automata Fire Model

作者:
Ion Matei↗Maksym Zhenirovskyy↗Takuya Kurihana↗Rohit Vupala↗Anthony Wong↗

arXiv:2606.13633v1 Announce Type: cross Abstract: Aerial wildfire suppression requires not only predicting fire spread, but also designing effective intervention strategies under operational and environmental uncertainty. We present a modeling and optimization framework for aerial wildfire suppression that combines a hybrid neural-cellular automaton wildfire model with gradient-based design of targeted aerial drops. The wildfire model predicts spatially varying spread behavior from terrain, fuel, and wind data, while the intervention module determines binary drop actions with continuous-valued location and orientation parameters mapped to the simulation grid. Water and retardant are represented with distinct suppression effects, corresponding to immediate reduction of active burning and persistent reduction of future spread. To evaluate the robustness of the resulting suppression plans, we quantify both aleatoric uncertainty through Monte Carlo sampling of daily fire-state realizations and epistemic uncertainty through spatially correlated prediction-error perturbations. A case study based on the 2020 Bear Fire shows that the framework can generate coherent aerial suppression schedules for reducing total fire-affected area and can support uncertainty-aware analysis of wildfire intervention strategies.

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13.
arXiv (quant-ph) 2026-06-15

Calibrated Helstrom geometry on the Bloch ball via Connes spectral distance

作者:
Kaushlendra Kumar↗

arXiv:2606.13824v1 Announce Type: new Abstract: We show that the equal-prior Helstrom trace-distance geometry of qubit states is recovered from Connes spectral distance in a finite scalar-qubit-scalar model. The two scalar reference sectors couple isotropically to the qubit block through identity Dirac links, so that the full Bloch ball, including mixed states, inherits its standard chordal trace-distance geometry from the finite spectral metric. The scalar-sector distances serve a distinct calibration role: they determine the individual link lengths, satisfy a Pythagorean consistency relation, and reconstruct the middle-sector scale.

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14.
arXiv (CS.CL) 2026-06-16

Few-Shot Biomedical Relation Extraction with Large Language Models: A Viable Alternative to Supervised Learning?

作者:
Jakob Mraz↗Toma\v{z} Curk↗Bla\v{z} Zupan↗

Biomedical relation extraction (BioRE) is a key step in transforming biomedical literature into structured knowledge. However, most existing approaches rely on supervised models trained on costly annotated datasets, limiting their scalability and adaptability across relation types and domains. We investigate few-shot BioRE using prompt-based learning with large language models (LLMs) and compare two task formulations: pairwise classification, which predicts relations for individual entity pairs, and joint generation, which extracts multiple relations in a single model call. Experiments on the BioREDirect dataset reveal a clear precision-recall trade-off. Pairwise classification achieves higher recall, whereas joint generation is more precise and computationally efficient. The best-performing model achieves a micro-F1 score of 0.44, substantially outperforming previous few-shot results (0.34) while remaining below the supervised baseline (0.56). Much of this gap is attributable to a single ambiguously defined relation type. When evaluated using macro-F1, which better captures performance across relation types in an imbalanced setting, prompt-based approaches outperform the supervised baseline (0.45 vs. 0.38), particularly on rare relation types. These findings highlight the potential of LLMs for BioRE in low-resource settings and underscore the importance of well-defined relation schemas.

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15.
arXiv (CS.LG) 2026-06-18

Context-Aware Optimization of Follow-Up Intervals for Type 2 Diabetes Care Using Markov Decision Processes

作者:
Parisa Lotfibagha↗Kristen Miller↗William J. Gallagher↗Elizabeth B. Selden↗Muge Capan↗

arXiv:2606.19092v1 Announce Type: cross Abstract: Chronic disease management relies on regular patient-provider interactions to follow-up on disease progression and control. For Type 2 Diabetes (T2D), current guidelines prescribe fixed time intervals between subsequent primary care visits for all patients, overlooking heterogeneity in clinical trajectories and patient characteristics. This study introduces a Contextual Markov Decision Process (CMDP) model to optimize subpopulation-specific follow-up interval decisions using Electronic Health Record (EHR) data from 22,154 T2D patients across 10 primary care clinics. Contexts are identified by: i) dimensionality reduction of variables representing the individual health trajectories utilizing Principal Component Analysis, and ii) assigning patients to contexts via principal components and additional patient-level features using clustering. Two distinct contexts emerged, representing a lower- and a higher-risk subpopulation. CMDP-derived policies recommend: (i) follow-up within 1 month if lab value at current visit is unmeasured; (ii) up to 3 months for elevated lab values or recent hospitalizations; and (iii) 6 to 12 months for sustained glycemic control, with shorter follow-up intervals for patients in high-risk context. The optimal policies achieved lower expected cumulative cost than benchmarks (e.g., in the higher-comorbidity context, the CMDP policy reduced cost by about 34.8%, and in the lower-comorbidity context by about 6.4%, relative to an American Diabetes Association-like fixed interval follow-up policy. These findings demonstrate how context-aware approaches can inform adaptive follow-up strategies, and have the potential to advance chronic care management in primary care by synthesizing machine learning and probabilistic decision models.

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

GLARE: A Natural Language Interface for Querying Global Explanations

作者:
Bhavan Vasu↗Rajesh Mangannavar↗

arXiv:2606.19735v1 Announce Type: new Abstract: While global explanations are crucial for understanding vision models across datasets, classes, and decision contexts, their complex and monolithic nature often hinders practical exploration. Because users typically seek targeted answers to specific questions rather than static artifacts, we present an LLM-based interactive interface that provides natural language access to global explanations for black-box image classifiers. The system's core LLM acts as a mediator, translating natural language questions into structured SQL queries over local explanation data. This enables flexible aggregation without exposing users to low-level representations. For each query, the interface outputs statistics-augmented natural language responses, supporting local explanations, and intent-aligned visualizations. We evaluate the system on intent interpretation, query mapping accuracy, generalization to novel queries and datasets, and robustness to linguistic errors. Our results demonstrate that LLM-mediated querying substantially improves the accessibility and usability of global explanations for human-centered XAI.

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17.
arXiv (quant-ph) 2026-06-12

Quantum charge pumping in helical systems: A comparative study of short- and long-range hopping

作者:
Leila Eslami↗Santanu K. Maiti↗Fatemeh Bourbour↗

arXiv:2606.12914v1 Announce Type: cross Abstract: Using the Keldysh non-equilibrium Green's function approach, we investigate charge pumping through a single-stranded helical structure described by a tight-binding model that includes either short-range hopping (SRH) or long-range hopping (LRH). While quantum pumping has been studied in various low-dimensional systems, the detailed behavior of the spectral current and the pumped dc current in helical geometries in the presence of higher-order electron hopping (beyond nearest neighbors) has not yet been systematically explored. Here, we focus on the interplay between helicity and extended hopping ranges, analyzing how they jointly control the energy-resolved and dc pumped currents under time-periodic end potentials. For LRH, the pumped dc current exhibits pronounced plateau-like regions as a function of chemical potential when energy levels are sparsely spaced – consistent with adiabatic transport – whereas SRH yields more parameter-sensitive currents without clear plateaus. The plateau stability is controlled by the drive frequency: at higher frequencies, Floquet side-band mixing destroys the plateaus, leading to oscillatory currents. The phase dependence remains nearly sinusoidal, and the current vanishes at zero phase lag, confirming the necessity of out-of-phase potentials. Crucially, in helical systems, the decay exponent $(\ell_c)$ acts as an effective structural parameter that can tune both the magnitude and sign of the pumped current, offering a geometric knob for controlling quantum pumping. Our findings not only fill a gap in the understanding of spectral and pumped currents in helical systems with extended hopping but also provide tools that can be applied to analyze similar phenomena in other chiral or quasi-one-dimensional systems.

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18.
arXiv (CS.CL) 2026-06-12

LabVLA: Grounding Vision-Language-Action Models in Scientific Laboratories

作者:
Baochang Ren↗Xinjie Liu↗Xi Chen↗Yanshuo Liu↗Chenxi Li↗Daqi Gao↗Zeqin Su↗Jintao Xing↗Zirui Xue↗Rui Li↗Xiangyu Zhao↗Shuofei Qiao↗…

Scientific laboratories increasingly rely on AI systems to reason about experiments, but the physical act of doing science remains largely outside their reach. AI can help read literature, generate hypotheses, and plan protocols, yet the execution of those protocols at the bench still requires a human operator. Vision-Language-Action (VLA) models provide one possible interface between written protocols and robot execution, but existing policies are trained mostly on household and tabletop demonstrations and rarely encounter the instruments, transparent liquids, or fixed protocol workflows found in scientific laboratories. Closing this gap requires both laboratory-specific supervision and a unified learning framework that can accommodate the diverse robot embodiments used to execute experimental protocols. We therefore identify data and embodiment as central bottlenecks alongside model design. To address the data side, we build RoboGenesis, a simulation-based workflow and data engine that composes configured laboratory workflows from atomic skills, validates and filters rollouts, and exports structured demonstrations across supported robot profiles. On the policy side, we present LabVLA, trained with a two-stage recipe: FAST action token pretraining first makes the Qwen3-VL-4B-Instruct backbone action aware before any continuous control is learned, and flow matching posttraining then attaches a DiT action expert under knowledge insulation. On the LabUtopia benchmark, LabVLA achieves the highest average success rate among all evaluated baselines under both in-distribution and out-of-distribution settings.

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19.
arXiv (quant-ph) 2026-06-16

Quantum Illumination with Symmetry-Constrained Random Unitaries

作者:
Sooryansh Asthana↗Sai Vinjanampathy↗

arXiv:2606.15586v1 Announce Type: new Abstract: Quantum illumination provides a quantum advantage in detecting weakly reflecting objects embedded in a noisy environment, even when environmental noise destroys most of the initial entanglement. We investigate this advantage using Haar-random probe states constrained to symmetry-resolved subspaces. Employing tools from quantum channel discrimination and asymptotic hypothesis testing, we derive the discrimination exponents associated with Haar-random probe ensembles and identify the role of symmetry in determining their performance. We show that typical states drawn from fixed-charge sectors achieve the same asymptotic quantum-illumination advantage as maximally entangled probes. In particular, we show that the effective thermal-noise suppression and the corresponding Chernoff exponent are governed by the dimension of the accessible symmetry sector. Our results reveal that the operational resource underlying quantum illumination can be generalized from fine-tuned structure of a specific probe state to the existence of a large symmetry-protected correlation subspace. These findings establish a direct connection between quantum illumination, symmetry-resolved typicality, and quantum channel discrimination, and demonstrate that near-optimal quantum hypothesis testing resources can emerge naturally from generic many-body quantum states constrained by conservation laws.

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20.
arXiv (CS.LG) 2026-06-12

Differentiable Thermodynamic Phase-Equilibria for Machine Learning

作者:
Karim K. Ben Hicham↗Moreno Ascani↗Jan G. Rittig↗Alexander Mitsos↗

arXiv:2603.11249v3 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure into neural networks have recently shown strong performance for activity-coefficient modeling. However, extending such approaches to equilibrium data arising from an extremum principle, such as liquid-liquid equilibria, remains difficult. Here we present DISCOMAX, a differentiable algorithm for phase-equilibrium calculation that guarantees thermodynamic consistency at both training and inference, only subject to a user-specified discretization. The method combines discrete enumeration of feasible phase states with masked softmax aggregation in the backward pass, with the propagation of the true equilibrium state in the forward pass, using a straight-through gradient estimator to enable physics-consistent end-to-end learning of neural \gls{gE}-models. We show that this approach bears analogy to statistical thermodynamics, and we evaluate it on binary liquid-liquid equilibrium data where it outperforms existing surrogate-based methods, while offering a general framework for learning from different kinds of equilibrium data.

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21.
arXiv (CS.CV) 2026-06-11

The Latent Color Subspace: Emergent Order in High-Dimensional Chaos

作者:
Mateusz Pach↗Jessica Bader↗Quentin Bouniot↗Serge Belongie↗Zeynep Akata↗

Text-to-image generation models have advanced rapidly, yet achieving fine-grained control over generated images remains difficult, largely due to limited understanding of how semantic information is encoded. We develop an interpretation of the color representation in the Variational Autoencoder latent space of FLUX.1 [Dev], revealing a structure reflecting Hue, Saturation, and Lightness. We verify our Latent Color Subspace (LCS) interpretation by demonstrating that it can both predict and explicitly control color, introducing a fully training-free method in FLUX based solely on closed-form latent-space manipulation. Code is available at https://github.com/ExplainableML/LCS.

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22.
arXiv (CS.CL) 2026-06-15

Rethinking the Trust Region in LLM Reinforcement Learning

作者:
Penghui Qi↗Xiangxin Zhou↗Zichen Liu↗Tianyu Pang↗Chao Du↗Min Lin↗Wee Sun Lee↗

Reinforcement learning (RL) has become a cornerstone for fine-tuning Large Language Models (LLMs), with Proximal Policy Optimization (PPO) serving as the de facto standard algorithm. Despite its ubiquity, we argue that the core ratio clipping mechanism in PPO is structurally ill-suited for the large vocabularies inherent to LLMs. PPO constrains policy updates based on the probability ratio of sampled tokens, which serves as a noisy single-sample Monte Carlo estimate of the true policy divergence. This creates a sub-optimal learning dynamic: updates to low-probability tokens are aggressively over-penalized, while potentially catastrophic shifts in high-probability tokens are under-constrained, leading to training inefficiency and instability. To address this, we propose Divergence Proximal Policy Optimization (DPPO), which substitutes heuristic clipping with a more principled constraint based on a direct estimate of policy divergence (e.g., Total Variation or KL). To avoid huge memory footprint, we introduce the efficient Binary and Top-K approximations to capture the essential divergence with negligible overhead. Extensive empirical evaluations demonstrate that DPPO achieves superior training stability and efficiency compared to existing methods, offering a more robust foundation for RL-based LLM fine-tuning. Our code is available at https://github.com/sail-sg/Stable-RL.

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23.
arXiv (CS.AI) 2026-06-12

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

作者:
Tianyu Liu↗Allen Xin Wang↗Antonia Panescu↗Lisa Xinyi Chen↗Wenxin Long↗Xinyu Wei↗Yueqian Jing↗Ziyao Zeng↗Jihang Chen↗Sihan Jiang↗Ziqing Wang↗Siyi Gu↗…

arXiv:2606.12736v1 Announce Type: new Abstract: AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood. Existing benchmarks for AI agents rarely capture the complexity, heterogeneity, and extended reasoning required by scientific work, whereas benchmarks for scientific tasks often reduce research to static, direct problems and provide limited support for interactive evaluation. Here, we introduce SciAgentArena, a systematic benchmark for evaluating AI agents in real-world scientific research scenarios drawn from emerging needs across multiple domains. SciAgentArena comprises approximately 200 tasks with stepwise verification and an interactive, agent-agnostic environment for assessing diverse AI agents. Using this benchmark, we find that current agents can contribute effectively to well-specified data-analysis workflows, particularly when the task structure and evaluation criteria are clear. However, their performance remains uneven across scientific contexts: agents struggle to generate genuinely novel insights, sustain self-directed exploration, and formulate robust solutions for open-ended research questions. We further characterize common failure modes across agents and identify opportunities for improving their reliability, autonomy, and scientific reasoning. Together, SciAgentArena provides a practical framework for measuring progress in AI agents for science and for guiding the design of future agents capable of addressing complex scientific challenges. Full codes, tasks, and datasets can be accessed via this link: https://sciagentarena.github.io/.

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24.
arXiv (CS.CL) 2026-06-19

JAMER: Project-Level Code Framework Dataset and Benchmark on Professional Game Engines

作者:
Jianwen Sun↗Chuanhao Li↗Zizhen Li↗Yukang Feng↗Fanrui Zhang↗Yifei Huang↗Yu Dai↗Kaipeng Zhang↗

Current AI-driven game development has made substantial progress in asset generation, gameplay design, and web-based game coding, yet project-level code engineering on professional game engines remains largely unexplored due to the absence of large-scale datasets and deterministic evaluation methods. We present JamSet and JamBench, the first project-level game code framework dataset and benchmark built on a professional game engine. Our key insight is that Game Jam competitions, community events where developers build complete games under tight time constraints, yield thousands of open-source projects suitable for this purpose. Building on the Godot engine's text-based format and headless execution mode, we design a deterministic verification pipeline from file integrity to runtime behavior collection, distilling 8,133 verified projects from over 240,000 repositories. Of these, 300 manually verified projects form JamBench; the rest constitute JamSet. JamBench defines theme-driven generation and code completion tasks, evaluated through a pipeline combining compilation pass rates, Structural Completeness Score (SCS), and Behavioral Alignment Score (BAS). Evaluation of 9 frontier models reveals a capability cliff as project scale increases, with runtime pass rates dropping from 80.4% on small projects to 5.7% on large ones (Task2a). Code Agents improve compilation rates yet yield no gains in runtime behavioral quality, indicating that the bottleneck lies in architectural design rather than syntactic correctness. Experiments validate JamSet as effective training data. All data and code are publicly available.

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

Towards an Agent-First Web: Redesigning the Web for AI Agents

作者:
Eranga Bandara↗Ross Gore↗Ravi Mukkamala↗Asanga Gunaratna↗Safdar H. Bouk↗Xueping Liang↗Peter Foytik↗Abdul Rahman↗Sachini Rajapakse↗Isurunima Kularathna↗Pramoda Karunarathna↗Chalani Rajapakse↗…

arXiv:2606.19116v1 Announce Type: new Abstract: The World Wide Web was built on an assumption held for three decades: the primary consumer of web content is a human being. This permeates every layer; its access model presumes human visitors, its economics rest on human attention, and its content targets human perception. The rapid emergence of AI agents as intermediaries between humans and web content invalidates this assumption. Yet the web resists agents through blanket blocking, CAPTCHA-based exclusion, and economic models that treat agent access as extraction rather than legitimate interaction. This paper proposes a principled redesign across three layers. At the access layer, agents acting for humans should inherit equivalent access rights, governed by rate limiting and agent identification metadata in HTTP requests, analogous to browser headers, alongside a dual-layer architecture serving human-readable and agent-optimized content from the same domain. At the economic layer, we propose an intent-based tier framework grounded in the agent-as-human-proxy principle: an agent's economic obligation mirrors that of the human it represents. A token-based subscription model meters content in tokens rather than pageviews, alongside a commissioned content economy anchoring AI content production in human intentionality. At the content layer, we identify epistemic recursion, the self-referential loop in which AI-generated content is consumed by agents to produce further content, progressively detaching web knowledge from human ground truth. We propose the Agent Text Markup Language (ATML), a four-level human supervision tier model, and a cryptographic provenance chain to counter this threat. Together these constitute ten design principles for an agent-first internet, one in which agents are first-class citizens whose integration requires renegotiating the web's foundational social contract across access, economics, and content.

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