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01.
arXiv (CS.CV) 2026-06-24

ObsGraph: Hierarchical Observation Representation for Embodied Reasoning and Exploration

Embodied reasoning and exploration are increasingly considered crucial abilities for robots operating in complex and unfamiliar environments. To accomplish tasks in such settings, an agent must identify and acquire the information necessary for the task through exploration. We propose ObsGraph, an observation-centric hierarchical scene graph that unifies scene representation, retrieval, and exploration. It retains visual evidence and organizes it into room-view-object layers: rooms provide coarse semantic anchors, views preserve contextual object covisibility, and objects store fine-grained details. On top of this representation, we perform coarse-to-fine hierarchical retrieval under a bounded budget, and crucially use retrieval outcomes to structure the exploration candidate space–activating room-level exploration, view refinement, or frontier exploration–thereby tightly coupling representation, retrieval, and adaptive multi-scale exploration. Experiments across embodied reasoning and exploration benchmarks demonstrate improved success and efficiency, highlighting the benefits of structured scene representation and more targeted information gathering driven by identified evidence gaps.

02.
arXiv (quant-ph) 2026-06-11

Planted-Solution Pauli Hamiltonians as a Quantum Benchmarking Primitive

arXiv:2606.11455v1 Announce Type: new Abstract: We introduce a construction of Pauli Hamiltonians with exactly known ground-state energies, intended as reference instances for ground-state energy estimation algorithms. The construction embeds a planted block-product state as the simultaneous ground state of a sum of frustration-free local clauses on overlapping supports, exposes the resulting model only as a polynomial-size linear combination of Pauli operators, and admits optional Clifford conjugation that preserves the spectrum. The framework subsumes classical planted constraint-satisfaction problems as a diagonal special case, providing a direct embedding channel through which classical hardness properties can be inherited. Open-source software, certification keys, and example instances are made publicly available.

03.
arXiv (CS.AI) 2026-06-24

T2D-Bench: Evidence-Gated Evaluation of LLM Outputs for Type 2 Diabetes Using a Multi-Layer Clinical-Lifestyle Knowledge Graph

arXiv:2606.24145v1 Announce Type: new Abstract: Large language models (LLMs) can produce clinically fluent recommendations for type 2 diabetes while failing to satisfy guideline constraints or explicitly justify lifestyle-related glycemic claims. We present T2D-Bench, a reproducible benchmark and evidence-gated evaluation framework for testing whether LLM outputs satisfy explicit, graph-checkable evidence requirements. T2D-Bench is built on a multi-layer clinical-lifestyle knowledge graph that combines a biomedical spine (UMLS, DrugBank, SIDER), computable ADA Standards of Care rules, and lifestyle knowledge connected through a mechanistic bridge to glycemic laboratory effects. Across 100 structured vignettes spanning diagnosis, medication safety, and adversarial lifestyle conflicts, baseline outputs failed benchmark-defined evidence-path checks in 35% of cases for GPT-4o-mini and 33% for GPT-4o. The evidence gate detects unsupported omissions and uses constrained revision to bring outputs into verifier-level compliance with benchmark-defined evidence requirements. These results show that computable evidence constraints can make unsupported clinical omissions explicit, measurable, and correctable in diabetes-focused LLM outputs.

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

Green SARC: Predictive Cost and Carbon Governance for Agentic AI Systems

arXiv:2606.15954v1 Announce Type: cross Abstract: Agentic AI systems act through tools and sub-agents, yet the controls meant to bound their financial and environmental cost still sit on dashboards evaluated beside or after execution. Green SARC applies the SARC governance-by-architecture framework – four enforcement sites in the agent loop – to FinOps and GreenOps, contributing the theory of what to enforce and how to predict it. We report four policy-independent results. (i) The unconstrained "State Snowball" is $\Theta(n^2)$ in loop depth; on 3,000 real multi-step plans (SWE-rebench) it holds on 100%, with median curvature $\hat{c}_2=216$ exceeding the linear-accretion prediction $p/2=134$ – real plans accrete faster than the model. (ii) On real residuals the Normal-$\sigma$ gate under-covers (92% at nominal 95%); split-conformal calibration holds (95.2%). (iii) A soft Lagrangian penalty tuned to the budget in expectation breaches it on 91.5% of seeds; the architectural gate breaches 0%. (iv) Under binding budgets the gate's over-budget incidence is 0% on synthetic and real (BurstGPT) arrivals. End-to-end token/USD/carbon savings (47–55%) are real but policy-dependent in magnitude – set by a scope-cap knob, not by gate rejections. The library is open-source, dependency-free, and ships a regeneration script for every cited number.

05.
medRxiv (Medicine) 2026-06-22

Integration of lung tissue proteomics and genome-wide association data to identify lung cancer susceptibility proteins and potential drug targets

Background: Proteins directly impact disease development and act as drug targets. Therefore, we integrated genomic and lung tissue proteomics data to identify lung cancer susceptibility proteins, elucidating genetic mechanisms and candidate drug targets. Method: We profiled the proteome and genome in non-neoplastic lung tissue from 200 lung cancer patients. Using this data, we constructed genetic models to predict abundance across the proteome in lung tissue. We applied these models to genome-wide association study (GWAS) data from 55,174 lung cancer cases and 1,294,174 controls to evaluate their associations with the risk of lung cancer, overall and by major histological subtypes. Bayesian colocalization and Mendelian randomization (MR) analyses were used to prioritize putative causal proteins, which were cross-referenced with three main drug-protein databases to identify potential therapeutic targets. Results: We identified 29 proteins associated with lung cancer risk at a false discovery rate < 5%, including 25 for overall lung cancer, two (AQP3 and IL18) specifically for adenocarcinoma, and another two (HMGN2 and HLA-DMB) for squamous cell carcinoma. Of them, genes encoding 17 proteins reside at least 2Mb away from any known GWAS risk loci, including 14 for overall lung cancer (HYI, GPX1, GMPPB, DSP, HDDC2, MTCH2, SUOX, JMJD7, PDIA3, IL16, IQGAP1, SULT1A2, ARHGAP27, and TYMP) and three for subtypes (AQP3, IL18, and HMGN2). Among the 12 proteins located within the known risk loci, EPHX2, CLDN18, PSMD5, and CYP2S1 proteins showed an association independent of the proximal GWAS-identified lead variant. Colocalization and/or MR analysis suggested 11 potential causal proteins. Five of these candidate causal proteins (DSP, CLDN18, IQGAP1, IL18 and TYMP) are targeted by nine drugs already approved by the FDA or in phase III trials. Conclusion: Our study identified novel lung cancer susceptibility proteins and potential drug targets, offering valuable insights into lung cancer biology and future translational utilities.

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

GRAPE: Guided Parameter-Space Evolution for Compact Adversarial Robustness

arXiv:2606.14865v1 Announce Type: cross Abstract: Adversarial Training (AT) improves neural network robustness, but most methods train a fixed parameter space from the start. This paper asks whether the order in which parameters become optimizable can affect the final robust solution, even when the final architecture or computation budget is controlled. We propose GRAPE, Guided Parameter-Space Evolution, a training framework for compact adversarial robustness. GRAPE combines parameter-space stabilization with progressive hidden expansion: it stabilizes robust optimization in the currently exposed space, gradually releases new optimizable dimensions, and uses an adversarial spectral utilization score to guide newly released capacity toward high-pressure modules. In contrast to fixed-structure AT, GRAPE treats robust model learning as a process of progressive parameter-space exposure and evolution. Under the standard $\ell_\infty$ threat model on CIFAR-10, with fixed-structure ResNet-18 AT as a controlled reference, GRAPE improves PGD-20 robust accuracy from 51.70% to 56.94% at a nearly matched computation budget with a FLOPs ratio of 1.009x, while reducing parameter count by about 21.4%. A sequential grow variant with the same final ResNet-18 architecture reaches 56.52% PGD-20 robust accuracy, indicating that the gain is not only due to final architecture differences but also to the parameter-space exposure path. These results suggest that guided parameter-space evolution can yield compact and robust parameter configurations under matched computation.

07.
arXiv (CS.CV) 2026-06-24

Ingredient-Level Food Image Segmentation for Nutrition Awareness

Food images often contain several visible ingredients, so assigning one dish label to an entire image hides important visual structure. This work studies ingredient-level semantic segmentation on FoodSeg103, where the model predicts an ingredient class for each pixel. Two SegFormer variants were fine-tuned and evaluated under a controlled setup: SegFormer-B0 as the smaller baseline model and SegFormer-B1 as the larger final model. Both models use ImageNet-pretrained MiT backbones with newly initialized 104-class output layers. On the held-out FoodSeg103 test split of 2,135 images, B0 achieved 0.7709 pixel accuracy and 0.2521 mean IoU, while B1 achieved 0.7929 pixel accuracy and 0.3204 mean IoU. B1 improved every saved test metric, including a +0.0683 absolute gain in mean IoU. The system also converts predicted masks into visible ingredient-area percentages, giving a simple visual composition summary of the predicted meal. This summary can serve as a first-pass nutrition-awareness cue by providing a visual alternative to detailed food tracking similar to plate-based meal guidance, but it is not a direct estimate of calories, macronutrients, food mass, volume, density, or true portion size.

08.
arXiv (CS.CV) 2026-06-24

Systematic Exploration of 4-Expert Heterogeneous Mixture-of-Experts via Automated Pipeline Search

We present an automated large-scale search pipeline for heterogeneous 4-Expert Mixture-of-Experts (MoE4) architectures within the LEMUR neural network dataset ecosystem. Building on a hand-crafted heterogeneous MoE reference model, we replace manual design with a deterministic code-assembly generator that systematically combines base architecture families drawn from the LEMUR database into MoE4 ensembles, each governed by a convolutional gating network with temperature scaling, mixup augmentation, and cosine-annealed learning rate scheduling. Over a 28-day campaign on an NVIDIA RTX 4090, the pipeline generated 4,463 candidate models across 197 batches, of which 1,021 were evaluated successfully. A critical finding emerged from the campaign: due to alphabetical enumeration via itertools.combinations, the entire explored search space (4.8% of the theoretical 23,751 possible 4-family combinations) is anchored to a single family, AirNet. We characterise this coverage bias precisely, identify the root cause in the generator, and propose a stratified random sampling fix. Within the AirNet anchored scope, ShuffleNet and MobileNetV3 consistently co-produce the highest-accuracy ensembles (mean accuracy up to 0.632), while FractalNet and MNASNet are identified as low-yield families warranting exclusion in future campaigns. The pipeline, analysis artefacts, and corrected generator are released as part of the open-source NNGPT project at https://github.com/ABrain-One/nn-gpt

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

Orchestrated Reality: From Role-Play to Living, Playable Game Worlds – LLM-Driven World Simulation as a Parameterized-Action POMDP

arXiv:2606.16014v1 Announce Type: cross Abstract: Many games rely on storytelling combined with systems that track levelling, NPC behaviour, and consequence simulation; bridging tightly-authored narrative with deeply-simulated worlds – most acute in sandbox and open-world settings – has been prohibitively expensive. LLM-driven worlds open a new path: a single harness can coordinate numerical state, narrative voice, storytelling pacing, and rule logic together. Realising this requires the LLM system to sustain a persistent world (who is where, what has just happened, what is currently true), which today's deployed systems do not: the narrative voice asserts state in free prose without any validated representation, so a fully autonomous game engine remains infeasible. We treat this as an architectural choice, not a limitation of language models, and report work in progress on a framework – orchestrated reality – that makes the world a canonical object owned by a singleton orchestration agent analogous to the tabletop-RPG Game Master (GM). We formalise an LLM-driven game world for a human player as a Parameterized-Action POMDP: state is a tree of canonical JSON entities, actions decompose as $a=(k, x_k)$ (a discrete intent kind plus structured JSON parameters), the agent observes only a narrative projection $o=O(s)$ of state, and the transition kernel $F$ is an LLM-driven Plan-Diff-Validate-Apply (PDVA) pipeline that commits schema-validated, content-hashed JSON deltas. We give the formal model, a JSON-state example, a worked single-turn example, and a catalogue of 15 illustrative incidents drawn from a real deployment showing the framework in action. Empirical validation through a planned human player study – together with multi-NPC concurrent agency and deployment as an RL environment – is situated as future work.

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

Benchmarking Instance-Dependent Label Noise with Controlled Corruptions

arXiv:2606.14965v1 Announce Type: new Abstract: Synthetic instance-dependent label noise (IDN) benchmarks are widely used to evaluate noisy-label learning methods, yet existing approaches typically generate noise through imperfect annotators or classifier raters, leaving the source of ambiguity implicit. We introduce CILN, a benchmark generation framework that creates IDN through controlled input corruptions. A diverse voter pool labels corrupted instances, producing benchmark datasets in which both the source and severity of ambiguity are explicit and controllable. Using CIFAR10, MNIST, and Adult, we construct 90 benchmark settings spanning multiple corruption families and severity levels. Our experiments show that the resulting benchmarks exhibit genuine instance-dependent noise, provide diverse confusion structures, and, on CIFAR-10, can produce label distributions that are closer to human uncertainty than an existing synthetic IDN benchmark. We further demonstrate that corruption-mediated IDN can expose failure modes of popular noisy-label learning methods, including Co-Teaching and DivideMix, that are not observed under comparable levels of rater-fallibility noise. These findings suggest that noise structure, not only noise rate, plays an important role in benchmark difficulty and algorithm behavior. By making ambiguity generation explicit and controllable, CILN provides a complementary benchmarking framework for studying noisy-label learning under diverse sources of instance difficulty.

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

The Distributed Detectability Band Against Marginal-Preserving Attacks

arXiv:2606.10456v2 Announce Type: replace-cross Abstract: AI-control monitors score individual agent actions to detect misbehavior, but real harm can be distributed across many benign-looking steps, each individually below any per-step alarm. We construct a marginal-preserving, correlation-encoded distributed-sabotage attack using a Gaussian-copula AR(1) construction: the per-step monitor-score marginal is held exactly equal to benign, so mean, max, top-k tail, and threshold monitors (Monitor A) are defeated by construction, while harm is encoded in the temporal correlation structure. We sequence the paper around three reviewer-mandated gates. (1) Realizability gate: the stealthy attack achieves KS-distance to benign of 0.013 (effectively zero) at all tested harm levels up to 3.0, confirming that harm is fully decoupled from the per-step marginal and realizability is not harm-limited. (2) Monitor-A-vs-B reconciliation: we show formally that the attack, built against Monitor A's score marginal, remains marginal-preserving under a different-score Monitor B (the correlation/sequence family: CUSUM, SPRT, HMM-LR, runs test, autocorrelation, windowed logistic), and scope worst-case claims to score functions that admit a temporal signature. (3) Non-empty detectability band: Monitor A achieves AUC 0.52 (chance); Monitor B spans AUC 0.79-0.97 at the same 1% FPR target, and as harm is amortized over more steps Monitor A collapses to chance while Monitor B holds at AUC ~0.95. These results demonstrate a non-empty detectability band and characterize the sub-threshold sabotage frontier: distribution-shape monitors fail by construction; temporal-correlation monitors can detect but are not trivially optimal.

12.
arXiv (CS.CV) 2026-06-24

VisChronos: Revolutionizing Image Captioning Through Real-Life Events

This paper aims to bridge the semantic gap between visual content and natural language understanding by leveraging historical events in the real world as a source of knowledge for caption generation. We propose VisChronos, a novel framework that utilizes large language models and dense captioning models to identify and describe real-life events from a single input image. Our framework can automatically generate detailed and context-aware event descriptions, enhancing the descriptive quality and contextual relevance of generated captions to address the limitations of traditional methods in capturing contextual narratives. Furthermore, we introduce a new dataset, EventCap (https://zenodo.org/records/14004909), specifically constructed using the proposed framework, designed to enhance the model's ability to identify and understand complex events. The user study demonstrates the efficacy of our solution in generating accurate, coherent, and event-focused descriptions, paving the way for future research in event-centric image understanding.

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

Sycophancy as Material Failure under Pushback Loading: A Multi-Axis Characterization Across Three Loading Cases and up to Seventeen Material Charges

Sycophancy in LLMs is documented across 70+ papers, but expert agreement on construct boundaries remains low (ICC=.184; Ye et al., 2026). The construct fragments because behavioral classification depends on which surface form is privileged. We adopt a materials-science framing: conversation as test specimen under load, LLM-model as material charge, pushback as progressive load, stance-flip as material failure. We characterize this failure across three loading cases (debate n=1000; false-presuppositions n=3400; ethical-setting n=3400; 10-17 material charges per case; 7800 specimens total) using 14 turn-level axis-measurements spanning velocity, damage accumulation, frame-drift, brittleness, and direction stability, plus three speaker-resolved axes from an independent pipeline. The measurements are Hooke-coupled ($\sigma = E \cdot \varepsilon$ analog) and reproduce across loading cases with effects up to $|r_{rb}| = 0.35$ on debate; the sign structure adds a second pattern: the ethical-setting case inverts the velocity and accumulation blocks. Variance composition partitions into two profiles: debate is charge-dominated (brittle-fracture-like: the material grade decides), false-presuppositions and ethical-setting are topic-dominated (creep-like: the load decides); the ratios (2.03 vs 0.13/0.17) are estimator-dependent, for debate even in direction. Cross-judge reliability (GPT-4o vs Haiku 4.5) shows debate scoring is judge-robust (Cohen's $\kappa = 0.88$) while false-presupposition scoring is judge-sensitive ($\kappa = 0.36$) – a caveat single-judge benchmarks must report. This is the methodological move Ye et al.'s diagnosis calls for: a multi-axis characterization that does not depend on which surface form of the construct one privileges.

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

Learning Topological Representations for Molecular Dynamics

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

15.
arXiv (CS.AI) 2026-06-24

HOLMES: Evaluating Higher-Order Logical Reasoning in LLMs

arXiv:2606.23238v2 Announce Type: replace Abstract: Logical reasoning is essential for reliable AI, yet existing benchmarks are largely first-order-logic-centric, focusing on object-level deduction over fixed predicates. This misses many realistic scenarios where models must reason over rules, predicates, functions, constraints, and decision procedures themselves. We introduce HOLMES (Higher-Order Logic Meets real-world Explainable Symbolic reasoning), the first real-world benchmark for higher-order symbolic reasoning in LLMs, containing 1379 instances. Built on higher-order logic, HOLMES pairs natural-language problems with HOL formalizations, ground-truth answers, verifiable reasoning traces, and fine-grained controllable reasoning factors across law and finance. Experiments show that current LLMs still struggle on HOLMES, with an average accuracy of only 50.64% and the best model reaching 59.54%. Our analyses further reveal that high final-answer accuracy can mask shortcut reasoning in conflict-resolution settings, while performance drops sharply under scope-conditioned and compositional reasoning. These findings identify higher-order symbolic reasoning as a key bottleneck for building reliable and verifiable LLMs. The project code and dataset are publicly available at https://github.com/wuyucheng2002/HOLMES.

16.
arXiv (CS.CV) 2026-06-18

Domain Generalizable Adaptation of 3D Vision-Language Models via Regularized Fine-Tuning

Domain adaptation remains a central challenge in 3D vision, especially for multimodal foundation models that align 3D point clouds with visual and textual data. While these models demonstrate strong general capabilities, adapting them to downstream domains with limited data often leads to overfitting and catastrophic forgetting. To address this, we introduce ReFine3D, a regularized fine-tuning framework designed for domain-generalizable tuning of 3D large multimodal models (LMMs). ReFine3D combines selective layer tuning with two targeted regularization strategies: multi-view consistency across augmented point clouds and text diversity through synonym-based prompts generated by large language models. Additionally, we incorporate point-rendered vision supervision and a test-time augmentation mechanism with confidence-based aggregation to further enhance robustness. Extensive experiments across different 3D domain generalization benchmarks show that ReFine3D improves base-to-novel class generalization by 1.36%, cross-dataset transfer by 2.43%, robustness to corruption by 1.80%, and few-shot accuracy by up to 3.11%, outperforming prior state-of-the-art methods with minimal added computational overhead.

17.
Nature Biotechnology 2026-06-19

Optimized R2 retroelement complexes for DNA insertion into plant genomes

Traditional approaches for DNA insertion into plant genomes using Agrobacterium tumefaciens result in random integration. Newer genetic engineering methods based on nucleases, prime editors, transposases and recombinases extend capabilities but remain constrained with low efficiencies, off-target integration or limited payload size. Here we adapt the avian Taeniopygia guttata R2 protein (R2Tg) for targeted DNA insertion into plant genomes by engineering R2Tg expression cassettes and RNA payloads carrying intron-disrupted reporters, with optimized ribosomal DNA homology arms and untranslated regions. In Arabidopsis thaliana protoplasts, Nicotiana benthamiana leaves and Solanum lycopersicum seedlings, our R2Tg editor system achieves targeted insertion of full-length payloads ranging from 2.2 kb to 5 kb. In Nicotiana benthamiana leaves, integration occurs, on average, at 1 copy per genome, which is 30 times more efficient than that achieved by Cas9 homology-directed repair. This work establishes an R2Tg ribonucleoprotein platform for targeted DNA insertion into plant genomes, using a multicopy genomic safe-harbor site to enable efficient addition of multikilobase genes. R2 retrotransposons are used to integrate DNA into plant and crop 25S ribosomal DNA sites.

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

Veriphi: Attack-Guided Neural Network Verification with Dataset-Dependent Training Methods

arXiv:2606.18454v1 Announce Type: cross Abstract: We present Veriphi, a GPU-accelerated neural network verification system that combines fast adversarial attacks with formal bound certification using alpha,beta-CROWN methods. Through systematic experiments on MNIST and CIFAR-10 using three training methodologies (standard, adversarial, certified), we demonstrate that training method effectiveness is fundamentally dataset-dependent. Interval Bound Propagation (IBP) achieves 78% certified accuracy on simple MNIST (784 dimensions) but provides negligible certification performance on the more complex CIFAR-10 dataset, where PGD adversarial training dominates with 94% certification at small perturbations. We achieve 5x verification speedup through attack-guided falsification and scale our approach to production-size models (105.8M parameters) for real-world aerospace logistics optimization. Our results challenge the assumption that certified training universally outperforms adversarial training, showing context matters critically for verification strategy selection.

19.
arXiv (quant-ph) 2026-06-17

Breaking the bicycle frame: Coset-based quantum LDPC codes

arXiv:2606.17268v1 Announce Type: new Abstract: Generalizing the construction of two-block group algebra (2BGA) codes, we introduce a family of two-block quantum LDPC codes constructed using the action of a group on the cosets of its subgroup. This replaces the regular group actions of the earlier two-block constructions and significantly expands the search space, yielding new quantum LDPC codes outside the 2BGA family. Through a computer search, we identify several new quantum LDPC codes, including weight-6 codes with parameters $[[48,8,6]]$, $[[96,8,10]]$, and $[[224,12,16]]$, as well as weight-8 codes with parameters $[[84,16,8]]$, $[[112,16,10]]$, $[[128,16,12]]$, and $[[168,16,15]]$. Furthermore, we introduce a maximally packed syndrome extraction schedule of depth $w+2$, including initialization and measurement steps, for any code with a maximum stabilizer weight of $w$ from our family. Under a standard circuit-level noise model, our codes, when decoded using BP-OSD, perform competitively with BB codes, achieving thresholds of $\approx0.65\%$ for the weight-6 family and $\approx0.35\%$ for the weight-8 family. Finally, we introduce a group-theoretic framework to generate sequences of graph-based covers of 2BGA codes, recovering and extending recent results on code constructions of this type.

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

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

21.
arXiv (quant-ph) 2026-06-17

Coupled-Mode Equations with Arbitrary Mode Combinations for Kinetic-Inductance Superconducting Traveling-Wave Parametric Devices: Theory and Experimental Validation

arXiv:2606.17264v1 Announce Type: cross Abstract: The coupled-mode equations (CMEs) have proven very successful in describing parametric processes in nonlinear optics. More recently, the same formulation has been used to model microwave superconducting parametric amplifiers and frequency multipliers. However, when applied to the microwave regime, not all assumptions remain valid and losses play a more dramatic role. Here, we revisit the CMEs applied to traveling-wave superconducting amplifiers to include losses and provide a formulation that enables their systematic derivation for any combination of traveling waves. As examples, we discuss the impact of unwanted harmonics and intermodulation products on parametric amplification, as well as harmonic generation. We verify that, if not properly accounted for, device performance can deviate considerably from the ideal case. Furthermore, using a superconducting CPW-based artificial transmission line and combining an independent experimental determination of its nonlinear parameter $I'_*$ with simulations of its linear properties, we obtain a parameter-free validation of this formulation. The nonlinear parameter was determined to be $I'_* \approx 27$ mA which, surprisingly, scales with the theoretical depairing current and not with the much smaller critical current of the device. For the validation, we measured multiple-harmonic generation and found excellent agreement between theory and experiment. The fact that $I'_* \gg I_C$ has direct implications for device design.

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

Tool-IQA: Augmenting Image Quality Assessment with Simple Tools

Vision-Language Models (VLMs) have been increasingly adopted for Image Quality Assessment (IQA). However, current methods typically employ a static one-shot scoring paradigm, despite the fact that humans assess image quality through dynamic visual inspection, e.g., selectively adjusting views to verify details and subtle artifacts. Specifically, relying solely on a single-pass observation introduces two primary limitations: first, perceiving the image only at a global scale restricts the assessment of finer local details; second, the original intensity distribution of the image may overwhelm the visibility, leading to insufficient inspection of image quality. To address these issues, we propose Tool-IQA, shifting the assessment mechanism from passive scoring to a tool-augmented workflow. In particular, we equip VLMs with simple yet effective view tools: a Magnifier to inspect local details, and a Gamma Corrector to uncover visibility and hidden artifacts. The assessment follows a structured pipeline that consists of an initial observation with rubric notes, a tool-augmented in-depth inspection, and a final quantification for calibrated quality score. Furthermore, to ensure efficient and purposeful tool callings, we introduce a batch-aware training strategy to reward tool interactions that can yield positive contributions rather than simply encouraging usage. Experiments on a variety of IQA benchmarks demonstrate that, with effective tool calling and calibrated assessment, our proposed Tool-IQA significantly outperforms existing state-of-the-art models, e.g., it achieves a PLCC of 0.854 on the challenging CLIVE dataset.

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

Automating Geometry-Intensive Compliance Checking in BIM: Graph-Based Semantic Reasoning Framework

arXiv:2606.12065v1 Announce Type: new Abstract: Automating compliance check for geometry-intensive regulations remains a significant technical bottleneck in Building Information Modeling (BIM), primarily due to the semantic disparity between high-level regulatory logic and structured IFC data. Existing methods, often reliant on static rule templates, struggle to traverse multi-hop reasoning chains or resolve latent spatial dependencies across multiple building entities. To address these challenges, a Spatial-Geometric Reasoning System for Building Information Modeling (SGR-BIM) is proposed as an integrative graph-driven reasoning framework. SGR-BIM dynamically constructs a cross-modal knowledge graph that aligns user intent, regulatory semantics, and BIM geometry, enabling interpretable reasoning without rigid hard-coding. Validated on 679 expert-verified queries from fire safety codes, the framework achieves 84.3% accuracy, representing an 8.6% improvement over enhanced-tool single-agent baselines. This research provides a graph-based semantic reasoning paradigm, enhancing the transparency and flexibility of automated geometric compliance check workflows in the Architecture, Engineering, and Construction (AEC) industry.

24.
medRxiv (Medicine) 2026-06-24

Cognitive and Neuroimaging Biomarker Intra-Individual Variability in Alzheimer's Disease

Background Greater cognitive intra-individual variability (IIV) reflects increased heterogeneous performance across cognitive domains and has been linked to a higher risk of Alzheimer's disease (AD). However, it remains unclear whether cognitive IIV is linked to heterogeneous dispersion of regional AD pathology. Hence, we aimed to examine the association between cognitive IIV and AD neuroimaging biomarker IIV. Methods This study included participants with normal cognition (CN) and mild cognitive impairment (MCI) from the Alzheimer's Disease Neuroimaging Initiative. Cognitive IIV was computed as the within-person standard deviation of five domain-specific neuropsychological test z-scores. Four neuroimaging biomarker IIV metrics were similarly derived using regional amyloid-{beta} (n = 1,021), tau (n = 719), cortical thickness (n = 2,148), and combined amyloid-tau-neurodegeneration (ATN, n = 258). Associations between cognitive IIV and each biomarker IIV were evaluated using linear regression models, adjusted for relevant covariates. Results Higher cognitive IIV was associated with greater biomarker IIV across amyloid-{beta} ({beta} = 0.039, SE = 0.014, p = .006), tau ({beta} = 0.196, SE = 0.033, p < .001), cortical thinning ({beta} = 0.036, SE = 0.008, p < .001), and ATN ({beta} = 0.176, SE = 0.043, p < .001). Interaction analyses revealed that the associations of cognitive IIV with tau IIV, cortical thickness IIV, and ATN IIV were stronger in MCI than CN individuals. Significant interactions between cognitive IIV and biomarker positivity status showed that the effect with amyloid-{beta} IIV was attenuated in A- ({beta} = 0.004, SE = 0.014, p = .78) but that the effect with tau IIV remained robust even in T- individuals ({beta} = 0.088, SE = 0.022, p < .001). Conclusion Elevated cognitive IIV is associated with greater heterogeneity in cortical dispersion of AD-related pathology, particularly in prodromal AD and in the presence of abnormal pathology. As a novel measure that captures variation in topographical scattering of AD pathological burden across the cortex, AD biomarker IIV may offer research and clinical utility beyond evaluating absolute biomarker load or thresholds.

25.
arXiv (CS.AI) 2026-06-17

No-Free-Fairness: Fundamental Limits and Trade-offs in Learning Systems

Authors:

arXiv:2606.17810v1 Announce Type: cross Abstract: In this paper, we establish a set of theoretical impossibility results, termed the No-Free-Fairness theorems, that identify three fundamental sources of disparity in learning systems. First, we show that when a task exhibits irreducible cost on a subgroup, any decision rule must trade off overall performance with disparity, yielding an inherent fairness–cost frontier. Second, we prove that even in ideal, noise-free settings where a perfectly fair and accurate solution exists, finite-sample learning alone induces nontrivial subgroup disparity, ruling out distribution-free fairness guarantees. More seriously, enforcing strict relative fairness creates a statistical bottleneck: achieving low cost may require exponentially many samples. Third, we show that limitations of the model class can independently induce disparity: if the model cannot represent accurate solutions for a subgroup, fairness remains unattainable regardless of data or training procedure. Overall, these results demonstrate that unfairness is not solely a consequence of biased data or suboptimal optimization, but arises from the intrinsic structure of decision problems, the constraints of finite data, and the expressivity of models. Our framework applies broadly beyond standard supervised learning, and suggests that achieving fairness requires explicit trade-offs and should be treated as a core design consideration.