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01.
arXiv (CS.LG) 2026-06-16

A Validated LBM Dataset and Pipeline for Surrogate Modeling of Turbulent 3D Obstructed Channel Flows

arXiv:2606.16765v1 Announce Type: new Abstract: Evaluating neural operators for 3D turbulent flow requires validated datasets with physical benchmarks. We present a reproducible pipeline generating training data for 3D channel flows around generated geometries at Re=1,000-10,000. Our lattice Boltzmann solver with cumulant collision operators is rigorously verified against experimental measurements (Strouhal number, drag coefficients, turbulent fluctuations) with comprehensive grid convergence studies at resolution 1024x512x512. Building upon an established framework, this validated pipeline enables standardized surrogate model comparison. We outline planned systematic evaluation of Fourier Neural Operator and U-Net variants on forecasting, super-resolution, and error correction tasks, using physics-informed metrics to assess turbulent energy cascade representation. Future work will compare computational efficiency between numerical solvers and neural surrogates, exploring practical application. We seek community feedback on our validation approach, planned benchmark methodology, and evaluation priorities for neural operators in turbulent flows.

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

LedgerAgent: Structured State for Policy-Adherent Tool-Calling Agents

Policy-adherent tool-calling agents in customer-service domains must maintain task states across turns while calling tools and obeying domain policies. Task states consist of relevant facts, identifiers, constraints, and conditions observed through user interaction and tool calls. In standard agents, task states are not represented separately. Observations, tool returns, and policy instructions are placed in the prompt, leaving agents to reconstruct the relevant states from the prompt each time they decide what to do next. This design makes state management implicit, creating two common failure modes. An agent may retrieve the right facts but later ground its decision in stale, missing, or incorrect information; and a syntactically valid tool call may still violate a domain policy that depends on the current task state. We introduce \textsc{LedgerAgent}, an inference-time method for tool-calling agents that maintains observed task states in a separate ledger and renders the states into the prompt. The ledger is also used to check state-dependent policy constraints before environment-changing tool calls are executed, blocking policy violations. Across four customer-service domains and a mixed panel of open- and closed-weight models, \textsc{LedgerAgent} improves average pass\textasciicircum{}k over a standard prompt-based tool-calling approach, with the largest gains under stricter multi-trial consistency metrics.

03.
arXiv (CS.AI) 2026-06-19

ELVA: Exploring Ranking-Driven Universal Multimodal Retrieval

arXiv:2606.20280v1 Announce Type: cross Abstract: Leveraging Multimodal Large Language Models (MLLMs) via contrastive learning has become a mainstream paradigm for improving the performance of Universal Multimodal Retrieval (UMR). However, previous works have ignored the grain blindness when adapting the contrastive paradigm into retrieval tasks. Grain blindness refers to the tendency of the model to overlook grain-level information contained in the query, which is crucial for effectively handling complex queries. This stems from contrastive learning treating samples as a binary classification (positive/negative), while ignoring the different information carried by each negative sample. To address this, we argue that negatives should be treated differently according to their similarity to the positive sample, enabling the model to learn distinct grain information from each negative. In this paper, we introduce a simple but effective framework, called ELVA, a novel rule-based RL framework that mitigates grain blindness through ranking-driven MLLMs. 1) Instead of relying on reward models, we extend Reinforcement Learning with Verifiable Rewards (RLVR) to retrieval tasks, allowing the model to explore new ranking behaviors without explicit ranking labels. 2) By utilizing rule-based rewards, our approach jointly optimizes the ranking of negative samples while enlarging the similarity gap between positive and negative. To more precisely measure grain blindness, we further introduce MRBench, a new benchmark specifically designed for multi-grain query scenarios. ELVA achieves state-of-the-art results across standard retrieval benchmarks, and its notable 13.1% improvement on MRBench further demonstrates its effectiveness in alleviating grain blindness.

04.
arXiv (CS.CL) 2026-06-19

Toten: Knowledge-Based Ontological Tokenization Of Physical Quantities And Technical Notation In Brazilian Portuguese

Byte-Pair Encoding tokenization is statistically efficient for vocabulary compression, but semantically blind to structured technical entities, fragmenting physical quantities, numbers, units, and symbolic expressions into lexically arbitrary subwords. We present TOTEN, a knowledge-based ontological tokenization framework that replaces statistical derivation with declarative classification grounded in a formal ontology of engineering entities (OEE). We formalize TOTEN as the triple : the ontology gathers types, structural principles, composition relations, and preservable invariants; the classification function maps raw text into typed regions; and the instantiator family yields a self-descriptive structured representation. Robustness derives from deterministic coupling with three external oracles: Pint (dimensional), Unicode Character Database (typographic), and RSLP (Portuguese morphology). Intrinsic evaluation covers four properties verifiable by construction – ontological atomicity, dimensional equivalence, typographic robustness, and numerical reconstruction – over an internal, physically validated benchmark (EngQuant, N=800) and four Brazilian Portuguese external corpora (N=1771 eligible cases). We also report detection recall, distinguishing coverage from conditional atomicity. Against eight state-of-the-art baselines, TOTEN achieves unit ontological atomicity in all contrasts and numerical reconstruction of 0.775-0.904 on external corpora, vs. 0.627-0.703 for the best baseline (Quantulum3); on EngQuant, 0.780 vs. 0.340. Differences are statistically significant (McNemar with Holm correction). Spearman correlation between internal and external rankings confirms concurrent validity of the control benchmark. Dimensional equivalence shows statistical parity with Pint, the oracle from which the system inherits dimensional authority.

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

TAHOE: Text-to-SQL with Automated Hint Optimization from Experience

arXiv:2606.12387v1 Announce Type: cross Abstract: Large Language Models (LLMs) have democratized database access through Text-to-SQL, but moving from prototypes to production remains difficult. Real deployments must handle strict SQL dialects, massive schemas, and evolving user preferences, while supervised fine-tuning is costly and rigid and agentic test-time scaling is expensive. We present Tahoe, a system that treats prompt optimization as a dynamic data management problem. Tahoe uses an error-driven hint learning pipeline across Development and Deployment to consolidate debugging traces into a structured Hint Bank. Compiler feedback is distilled into reusable Syntax Hints for dialect-specific rules, while execution and user feedback are converted into Semantic Hints for schema- and user-specific logic. Tahoe further introduces a Strategy Layer that models conflicting user intents as competing strategies under shared natural-language triggers, with recency signals and post-learning attribution statistics that summarize empirical success, harm, inertness, and support. At inference time, Tahoe retrieves relevant hints and guides the LLM through Logic Planning followed by SQL Synthesis. We implement and evaluate the development-phase workflow, leaving deployment-time human-feedback updates for future work. On Spider 2.0-Snow, Tahoe substantially improves Text-to-SQL without updating model parameters. On 113 supervised Spider 2.0-Snow-0212 examples using GPT-5.5, Tahoe raises pass rate from 61.95 percent to 79.42 percent and pass-at-4 from 72.57 percent to 87.61 percent, achieves 100 percent Snowflake syntax pass rate, and reduces average compiler-feedback critic rounds from 2.79 to 0.12 per sampled candidate. The same Hint Bank also transfers to weaker backbones, including a 19.7 percentage-point pass-rate gain on Doubao-2.0-lite.

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

When Language Overwrites Vision: Over-Alignment and Geometric Debiasing in Vision-Language Models

arXiv:2605.08245v4 Announce Type: replace-cross Abstract: Vision-Language Models (VLMs) increasingly power high-stakes applications, from medical imaging to autonomous systems, yet they routinely hallucinate, confidently describing content not present in the input. We investigate the root causes of these failure modes with a mechanistic analysis focusing on the decoder-based VLMs. We trace these failure modes to a geometric over-alignment: to bridge the modality gap required by attention mechanisms, decoder-based VLMs over-align visual embeddings with the text manifold, injecting a statistical linguistic bias that systematically overshadows fine-grained visual evidence. While prior work either aggressively closes this gap or suppresses hallucinations through expensive black-box decoding strategies, none addresses the underlying geometric cause. We provide the first quantitative characterization of this over-alignment, demonstrating that linguistic bias concentrates in the top principal components of a universal, dataset-agnostic text subspace. Building on this insight, we propose two complementary remedies: a training-free inference strategy and a bias-aware fine-tuning paradigm, both of which explicitly project out this subspace from visual representations. Our methods significantly reduce hallucinations across POPE, CHAIR, and AMBER benchmarks, and improve CLAIR scores on long-form captioning tasks, with the training-free variant adding no computational overhead over the base model.

07.
arXiv (CS.CV) 2026-06-15

$\mu_0$: A Scalable 3D Interaction-Trace World Model

World models that capture how actions induce physical change enable scalable robot learning without reliance on embodiment-specific action labels. Pixel-space video models provide broad visual priors but expend model capacity on dense appearance reconstruction, while direct action models require embodiment-specific labels that hinder scalability. We present $\mu_0$, a scalable world model based on 3D traces. Rather than predicting dense pixels or directly modeling actions, $\mu_0$ forecasts smooth 3D trajectories for salient interaction points such as objects, tools, hands, and contact regions, yielding a compact, embodiment-agnostic motion interface. To enable training from diverse video sources, our TraceExtract system automatically extracts 3D supervision by selecting keypoints, constructing globally aligned traces, and associating motion segments with hierarchical language captions. This TraceExtract supervision pretrains $\mu_0$ by combining a pretrained vision-language backbone with a modular trace expert, which represents each query via B-spline control points and predicts future traces. Experiments show that $\mu_0$ outperforms baselines in both 2D and 3D trace prediction, including trace prediction models and tokenized VLM methods. Because $\mu_0$ is frozen and reusable, it can be paired with action experts for downstream robot embodiments. Despite action-free pretraining, the resulting trace-conditioned policies achieve performance competitive with VLA models pretrained with action supervision, such as $\pi_0$. These results establish 3D traces as a scalable and transferable representation for cross-embodiment manipulation.

08.
arXiv (CS.LG) 2026-06-12

Learning with Simulators: No Regret in a Computationally Bounded World

arXiv:2606.13576v1 Announce Type: new Abstract: Understanding the minimal assumptions necessary for generalization is the fundamental question in learning theory. Unfortunately, most results rely heavily on independence (or some proxy thereof) of the data-generating process, while results for strongly dependent data are far more limited. Towards addressing this gap, we introduce the framework of simulatable processes, where the learner has access to a simulator that approximates the distribution generating the data (which may be an arbitrarily complex and dependent process). Surprisingly, given access to such a simulator, we show that we can recover the same learning guarantees as in the classical setting with independent data, namely, error bounds that depend on the VC dimension. Further, we use this framework to study the power of conditional sampling and show strict statistical and computational advantages in this setting. As a highlight of our framework, we exhibit a single algorithm that simultaneously learns any given VC class under all processes samplable in bounded polynomial time, with regret controlled by the time-bounded Kolmogorov complexity of the process. This provides a significant conceptual broadening of the classical PAC model.

09.
arXiv (CS.CL) 2026-06-12

PRISM: Prosody-Integrated Multi-Agent Reasoning Framework for Empathetic Spoken Dialogue

Empathetic spoken dialogue systems require not only semantically appropriate responses but also emotionally aligned prosodic expression. However, cascade pipelines often discard acoustic cues during speech-to-text conversion, while end-to-end speech models lack interpretable control over emotion and knowledge integration. To address these challenges, we propose PRISM, a multi-agent framework for empathetic spoken dialogue that decouples speech perception, response generation, and speech synthesis into coordinated components. PRISM introduces a prosody-to-language translation mechanism to stabilize large language model reasoning and enables on-demand invocation of external knowledge tools for empathetic dialogue generation. Experimental results demonstrate that PRISM achieves consistent improvements in empathy, prosodic appropriateness, and text response generation quality across objective and subjective metrics. Our code is available at: https://github.com/Bxzfrm/PRISM.

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

LoLA: Low-Rank Linear Attention With Sparse Caching

The per-token cost of transformer inference scales with context length, preventing its application to lifelong in-context learning. Linear attention is an efficient alternative that maintains a constant memory footprint, even on infinite context lengths. While this is a potential candidate for lifelong learning, it falls short in memory capacity. In this paper, we propose LoLA, a training-free augmentation to linear attention that boosts associative recall. LoLA distributes past key-value pairs from context into three memory systems: (i) recent pairs in a local sliding window cache; (ii) difficult-to-memorize pairs in a sparse, global cache; and (iii) generic pairs in the recurrent hidden state of linear attention. We show through ablations that our self-recall error metric is crucial to efficiently manage long-term associative memories. On pass-key retrieval tasks, LoLA improves the base model's performance from 0.6% to 97.4% accuracy. This is achieved with a 4.6x smaller cache than Llama-3.1 8B on 4K context length. LoLA also outperforms other 1B and 8B parameter subquadratic models on zero-shot commonsense reasoning tasks.

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

Direct/adaptive-mixture phase-gradient learning for neural-network quantum states with complex phase structure

arXiv:2606.13912v1 Announce Type: cross Abstract: Neural-network quantum states (NQS) are a leading variational tool for quantum many-body physics, yet their optimization is fragile whenever the ground state carries a non-trivial sign or complex phase structure, a situation generic to gauge fields, broken time-reversal symmetry, and fermionic statistics. We trace this fragility to the stochastic estimator of the phase gradient rather than to network expressiveness. The phase sector of the Monte Carlo energy gradient is a noisy score-function estimator; differentiating the local energy instead yields a direct estimator that is unbiased for the same phase force, has far lower variance, and requires only a separated amplitude–phase ansatz. Demonstrated on a 100-site flux ladder, a small network trained this way reaches $0.89\%$ median error, where tuned standard baselines plateau at $1.8\%$ and wider or deeper standard-gradient networks degrade from $8.4\%$ to $24.6\%$. The advantage carries over to chiral XXX chains: the direct estimator again converges to a markedly lower error than the standard one, across $\alpha$ and size; it grows with flux and vanishes in zero-flux controls. An adaptive-mixture of the two estimators is provably never worse in variance than the better endpoint at the optimal mixing coefficient, with seed-resolved diagnostics tracing much of the gain to eliminating failed runs. Estimator design thus emerges as a first-class lever for complex-valued neural quantum states.

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

AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces

arXiv:2606.19152v1 Announce Type: cross Abstract: Identifying the lowest-energy surface-adsorbate configuration is critical for modeling heterogeneous catalysis, yet exhaustive exploration with ab initio calculations is computationally prohibitive. Machine-learning force fields (MLFFs) accelerate structural relaxation but leave the search over the vast configurational space a major bottleneck, and open-loop large language model (LLM) agents lack a physics-grounded feedback mechanism to correct erroneous initial guesses. We propose AdsMind (Adsorption configuration discovery with Machine intelligence and relaxation feedback), a closed-loop multi-agent framework that enables autonomous error correction through MLFF relaxation feedback. Across four LLM backends, AdsMind achieves consistently high search reliability, with success rates of 100% and 98.8% on the benchmarks AA20 and OCD-GMAE62. Relative to its single-pass (1-Shot) ablation it reduces cross-backend energy dispersion, and it uses only 4.11 and 4.67 MLFF relaxations per case, respectively – an approximately 14-fold reduction over heuristic enumeration baselines. Density functional theory (DFT) validation using VASP/PBE on six representative AA20 systems shows that the reported open-loop Adsorb-Agent outputs exhibit qualitative adsorption-energy sign errors for molecular adsorbates, whereas AdsMind preserves the correct sign in all tested cases with closer quantitative agreement. AdsMind thus delivers reliability, self-reflection, and interpretability simultaneously, supporting more DFT-informed autonomous chemistry workflows.

13.
arXiv (math.PR) 2026-06-12

Data-driven subsampling rates for diffusion parameter estimation of SDEs

arXiv:2606.13615v1 Announce Type: new Abstract: We study the problem of diffusion parameter estimation for stochastic differential equation (SDE) models in scenarios where data and model are compatible only on specific scales that have yet to be determined. We introduce a simple and efficient method for selecting suitable rates at which given time series data should be subsampled in order to ensure that the statistical structure of the subsampled data is consistent with the behavior of the SDE model on an infinitesimal scale. Our approach is based on analyzing the statistics of the lengths of monotonically increasing or decreasing segments in the subsampled data sequence, which we refer to as monotone runs. As an analytical foundation, we prove for a large class of SDEs with additive noise that the lengths of monotone runs at an infinitesimal scale are approximately geometrically distributed with success probability $1/2$. This universal characterization is employed to derive an automated method for selecting appropriate subsampling rates for given time series data that is directly applicable in real-world scenarios and does not rely on an asymptotic framework of multiscale diffusions. The approach is demonstrated using an application from industrial mathematics concerning surrogate models for fiber lay-down curves in production processes of nonwoven textiles.

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

MeshFlow: Efficient Artistic Mesh Generation via MeshVAE and Flow-based Diffusion Transformer

We present MeshFlow, a new method for generating artist-like 3D meshes. Current mesh generators often adopt Auto-Regressive (AR) next-token prediction, a natural choice given the discrete nature of mesh topology. However, AR methods scale poorly because the inference cost is quadratic in mesh size. They also require discretizing the vertex coordinates, which introduces quantization errors. To address these challenges, we introduce a Variational Autoencoder (VAE) that, supervised with a contrastive loss, represents both continuous vertex positions and discrete connectivity in a continuous latent space. This latent space is significantly more compact than prior token-based mesh representations. We then build a 3D generator based on a Rectified Flow transformer, generating all mesh vertices and edges in parallel. Our model generates meshes 18x faster than the fastest AR generator while also achieving excellent accuracy across standard mesh-generation metrics. Homepage: https://mesh-flow.github.io/, Code: https://github.com/facebookresearch/meshflow

15.
arXiv (CS.LG) 2026-06-16

Robust Transformer-Based One-Step Stock Index Forecasting via Shifted Data Augmentation

arXiv:2606.15701v1 Announce Type: new Abstract: Transformers have shown remarkable success in sequence modeling, yet their direct application to financial time series remains challenging due to noisy signals, short-memory dynamics, and distributional shifts. This paper proposes a modified Transformer architecture for one-step stock index forecasting, combined with advanced learning-rate scheduling and a novel Shifted Data Augmentation (SDA) technique. We evaluate the proposed framework on two benchmark stock index datasets, VN30 and S&P 500. Experimental results demonstrate that cosine annealing with warmup consistently improves forecasting accuracy over the generalized inverse-power scheduler. Furthermore, SDA substantially reduces forecasting errors and run-to-run variability while improving robustness to hyperparameter selection. The combination of cosine annealing scheduling and SDA achieved the best performance on both datasets, indicating that data augmentation can play a more important role than increasing model complexity in Transformer-based financial forecasting. These findings provide a practical and computationally efficient approach for robust stock index forecasting in noisy financial environments.

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

LegalWorld: A Life-Cycle Interactive Environment for Legal Agents

Civil litigation is inherently a life-cycle process: what a lawyer drafts on day one constrains what unfolds at trial months later. Yet existing legal benchmarks evaluate isolated subtasks, and prior legal-agent simulators reinitialize each scenario from shared ground truth, leaving cross-stage causal dependencies unmodeled. We present LegalWorld, a life-cycle interactive environment that models Chinese civil litigation as a causally connected state chain of five stages (seven sub-scenarios), grounded in 75,309 paired Chinese civil judgments. We pair it with reusable infrastructure (local memory, global case memory, a Skill/Tool library) that keeps each dispute consistent across its full life cycle. Building on this environment, we construct LongJud-Bench to evaluate agent capability across all five connected stages. 18,992 ratings from 217 legal-background evaluators confirm that LegalWorld trajectories are procedurally faithful and role-consistent; and a capability-level cross-model evaluation reveals sharp divergences that aggregate scores cannot expose, with no single backbone leading across consultation, drafting, and courtroom advocacy. Detailed resources will be released publicly.

17.
arXiv (math.PR) 2026-06-16

Well-posedness of stochastic parabolic equations with gradient nonlinearities and applications to phase-field models

作者:

arXiv:2606.15425v1 Announce Type: new Abstract: We study well-posedness of stochastic parabolic equations with gradient nonlinearities. Our analysis is based on recent maximal-regularity frameworks for nonlinear stochastic parabolic equations in critical spaces. We extend the existing results by controlling drift and noise coefficient separately. This way we can allow for less regular driving noise in case of subcritical dispersion coefficients. Our approach, based on gluings of local solutions, moreover implies new continuation criteria. We then apply our existence result and the continuation criteria to show global well-posedness of phase-field models of moving boundary problems.

18.
medRxiv (Medicine) 2026-06-15

Fanconi Anemia as a Window into Premalignant Field Cancerization of the Oral Mucosa

Head and neck squamous cell carcinoma (HNSCC) evolves through stepwise clonal expansion within genetically altered mucosa fields, yet actionable biomarkers remain undefined. Leveraging Fanconi anemia (FA), a cancer predisposition syndrome with extreme HNSCC risk due to defective DNA interstrand crosslink repair, we profiled premalignant changes in the oral cavity using noninvasive brush biopsies. Consistent with our prior demonstration of genomic instability in FA-associated SCCs, we detected pathogenic TP53 variants in 26% and copy number alterations in 60.5% in clinically normal-appearing oral mucosa of individuals with FA. These subclinical clonal expansions define candidate biomarkers of early clonal evolution amenable to serial sampling for risk stratification and prevention studies. Since FA-associated SCCs share genomic features with sporadic HNSCC, these findings may extend to the broader population. We also identify somatic reversion of a pathogenic FANCB variant, providing evidence of genomic self-correction and suggesting a potential avenue for gene-based cancer prevention in FA.

19.
arXiv (CS.CV) 2026-06-11

Towards Fully Automated Exam Grading: Fairness-Aware Recognition of Handwritten Answers with Foundation Models

Correcting handwritten exams by hand is time-consuming and error-prone, particularly for large cohorts, while fully digital exams tend to force a didactic narrowing towards closed question formats. A practical middle ground keeps paper-based, problem-oriented tasks but records the assessment-relevant answers as single capital letters in a table that a machine can read. The open question is whether this reading can be made accurate and, above all, fair enough for unsupervised grading. Earlier automated approaches reached only about 88%–91% recognition – too low – and failed on the cases that matter most: answers placed outside the cell, crossed out, or written in cursive. We show that general-purpose vision-language foundation models (VLMs), which interpret the page rather than match pixel templates, close this gap. On a benchmark of 61 anonymised exams (3141 answer positions) the best model reaches 98.4% accuracy, well above the previous baseline. Crucially, we centre the evaluation on fairness: we distinguish false negatives (a correct answer marked wrong, which disadvantages the student) from false positives, and a lightweight prompt that supplies the reference solution as context lowers the false-negative rate to 0.58%. Under an exemplary grading scheme only three of the 61 exams would be graded worse, all caught by a student self-review step. Fully automated, fairness-aware exam grading at scale is therefore defensible; we release the anonymised benchmark to support reproducibility.

20.
arXiv (CS.AI) 2026-06-16

SorryDB: Can AI Provers Complete Real-World Lean Theorems?

arXiv:2603.02668v2 Announce Type: replace Abstract: We present SorryDB, a dynamically-updating benchmark of open Lean tasks drawn from 78 real world formalization projects on GitHub. Unlike existing static benchmarks, often composed of competition problems, hillclimbing the SorryDB benchmark will yield tools that are aligned to the community needs, more usable by mathematicians, and more capable of understanding complex dependencies. Moreover, by providing a continuously updated stream of tasks, SorryDB mitigates test-set contamination and offers a robust metric for an agent's ability to contribute to novel formal mathematics projects. We evaluate a collection of approaches, including generalist large language models, agentic approaches, and specialized symbolic provers, over a selected snapshot of 1000 tasks from SorryDB. We show that current approaches are complementary: even though an agentic approach based on Gemini Flash is the most performant, it is not strictly better than other off-the-shelf large-language models, specialized provers, or even a curated list of Lean tactics.

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

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

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

D2H-AD: A Hybrid Model Utilizing Hyperdimensional Computing for Advanced Anomaly Detection

arXiv:2606.13754v1 Announce Type: new Abstract: Anomaly detection is a fundamental component of intelligent systems with applications in healthcare, cybersecurity, smart grids, and IoT environments. Although conventional machine learning and deep learning methods have demonstrated effectiveness in identifying anomalies, they often rely on large labeled datasets, incur high computational costs, and face scalability challenges in edge and high-dimensional settings. This paper presents D2H-AD, a novel anomaly detection framework based on Hyperdimensional Computing (HDC), a brain-inspired paradigm that represents information using high-dimensional distributed vectors. Unlike existing HDC-based methods, D2H-AD integrates distance-based similarity and density-aware encoding within a unified framework, improving anomaly representation and detection performance. Ablation studies show that hyperdimensional encoding alone yields up to 5.4% higher ROC-AUC than applying the same density-distance scoring directly in the original feature space. Furthermore, D2H-AD consistently outperforms five established baselines, namely HDAD, ODHD, One-Class SVM, Isolation Forest, and Autoencoders, across all evaluated datasets. The framework is lightweight, interpretable, and computationally efficient, making it suitable for resource-constrained and real-time applications. We validate D2H-AD on five benchmark datasets and demonstrate superior F1-score and ROC-AUC performance, together with robustness to class imbalance, noise, and data complexity. In addition to improved accuracy, D2H-AD offers scalability, a small memory footprint, and low-latency operation enabled by binary computations and a compact design. These properties make it particularly attractive for TinyML and edge AI deployments. The proposed framework highlights the potential of HDC for accurate, interpretable, and energy-efficient anomaly detection in dynamic environments.

23.
bioRxiv (Bioinfo) 2026-06-10

SPARQ-MI leverages end-to-end spatial single-cell analysis of the tumor microenvironment

Detailed spatial analysis of the tumor micro-environment (TME) through multiplexed fluorescence imaging requires quantitative image-processing and data-analysis methods. While data-preprocessing down to segmentation of individual cells is captured by available methods, statistical analysis of single-cell features is compromised by the uneven noise distribution especially in complex tissues such as the TME, as well as by labor-intensive manual cell-type annotation and region segmentation. Here, we present SPARQ-MI (Spatial Phenotyping, Architecture Reconstruction and Quantification from Multiplexed Imaging) for streamlined spatial single-cell analysis, along with a tissue microarray PhenoCycler data-set with 37 fluorescent channels from melanoma patients under immunotherapy. We demonstrate that SPARQ-MI enables robust reconstruction of the cellular and spatial composition in this and other tissue types. Our analysis reveals associations of the cell-state and spatial location of CD8 T cells with response to immunotherapy. Overall, SPARQ-MI allows for quantitative analysis of complex fluorescence histology samples under minimal user input, and accounting for spatially uneven coverage of antibody signals, setting the stage for quantitative analysis of clinical samples.

24.
medRxiv (Medicine) 2026-06-23

Blood-brain barrier dysfunction in cerebral amyloid angiopathy is associated with disseminated cortical superficial siderosis

Background: Blood-brain barrier (BBB) dysfunction is increasingly recognized as a feature of cerebral amyloid angiopathy (CAA) and has been linked to hemorrhagic imaging manifestations such as cortical superficial siderosis. However, it remains unclear whether neurovascular barrier dysfunction can be captured by routinely available fluid biomarkers and whether such markers identify clinically relevant hemorrhage-prone CAA phenotypes. The CSF/serum albumin quotient (QAlb) is an established marker of neurovascular barrier dysfunction. We investigated QAlb levels in CAA and their association with imaging markers of disease severity. Methods: We included 225 participants (115 with CAA, 72 with Alzheimers disease [AD], 38 healthy controls) with CSF biomarkers and standardized MRI evaluation. Pathologic QAlb levels were identified via the age-corrected Reiber-formula. Group differences and determinants of pathological QAlb were assessed using uni- and multivariable regression analyses. The diagnostic relevance was assessed by receiver operating characteristic analysis. Results: QAlb levels were higher in CAA than in controls (ratio of means [RoM] 1.43, 95% CI 1.28-1.58) and patients with AD (RoM 1.22, 95% CI 1.10-1.35; both p

25.
arXiv (CS.CV) 2026-06-24

ArtiTwinSplat: Interactable Digital Twin Reconstruction via Gaussian Splatting from RGB-D videos

Deploying robots in unstructured real-world environments needs accurate, interactive models of the objects. Constructing these models at scale remains a critical bottleneck for robotic system integration. We present ArtiTwinSplat, a framework that automatically constructs articulated, photo-realistic digital twins of objects directly from RGB-D videos, requiring no CAD models, simulation assets, or manual annotations. Our method is built on 3D Gaussian Splatting that preserve geometric fidelity and photometric realism, coupled with an unsupervised articulation discovery pipeline that recovers part structure and joint kinematics from observed motion alone. With tracking and optimization stages our method provides stable, queryable digital twins that support real-time rendering, viewpoint control, and interactive manipulation. Unlike prior methods confined to simulation, ArtiTwinSplat operates directly on real-world observations and produces twins that are immediately usable by downstream robot planning and learning systems. This method offers a practical, scalable pathway toward digital twin construction, lowering the integration barrier for articulated object manipulation in embodied AI and human-robot collaboration contexts.