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01.
bioRxiv (Bioinfo) 2026-06-10

A Unified Spatial AI Framework for Cross-Domain Tissue-State Analysis in Trauma, Oral, and Cardiovascular Pathology

Authors:

Objective: To develop a cross-domain spatial AI framework for identifying conserved tissue-state organisation across trauma, oral disease, and cardiovascular tissue using spatial transcriptomic data. Methods: Four public spatial transcriptomic datasets spanning wound healing, periodontitis, oral squamous cell carcinoma, and cardiac tissue were integrated using recurrence modelling, graph-based spatial learning, fuzzy tissue-state analysis, and tensor decomposition. Cross-domain coupling, spatial fragmentation, recurrence structure, and permutation-based topological validation were evaluated. Results: Six conserved fuzzy tissue states were identified, dominated by extracellular matrix remodelling, fibroblast/stromal activation, endothelial signalling, and inflammatory pathways. Latent embedding analysis demonstrated strong overlap between trauma and oral domains, while cardiovascular tissue exhibited more compact spatial organisation. Oral inflammatory tissue showed the highest fragmentation, whereas cardiovascular tissue demonstrated greater recurrence coherence. Tensor decomposition identified conserved stromal-remodelling programmes across domains. Permutation testing confirmed significantly elevated graph modularity and reduced spatial entropy relative to null distributions. Conclusion: The proposed framework identified conserved spatial tissue-state architecture linking wound healing, oral pathology, and cardiovascular tissue despite differences in tissue origin, pathology, and acquisition technology. Significance: These findings demonstrate the potential of spatial AI for investigating conserved stromal and inflammatory microenvironmental organisation across clinically related disease systems and may support spatial biology research in trauma–oral–systemic health.

02.
bioRxiv (Bioinfo) 2026-06-18

A unified smoothing framework for protein domain bigram model

Biomolecular sequences can be represented as strings over an alphabet, an analogy that has motivated many applications of computational linguistic techniques to biological problems. However, such methods must be adapted to the characteristic scale and organization of biomolecular data. Here, we consider the problem of bigram smoothing for multidomain protein architectures, where domain bigram frequency data is extremely sparse and differs from textual data in alphabet size, string length distribution, the relationship between bigram and unigram frequencies, tandem repeat lengths, and the distribution of domain adjacencies. Moreover, some domain combinations are unobserved because they are biologically incompatible, others because the data are incomplete. A smoothing method that distinguishes these two cases is required. We propose a unified smoothing framework based on interpolation that can be tuned to accommodate different bigram data characteristics. Within this framework, we design specific model variants suited to protein domain bigram data: these assign low adjusted counts to pairs that are likely incompatible, while making appropriate adjustments for undersampled pairs. We demonstrate empirically that this approach distinguishes the two cases while preserving the characteristic signatures of multidomain data.

03.
arXiv (quant-ph) 2026-06-24

Introduction to matrix-product states and tensor networks

arXiv:2606.24803v1 Announce Type: cross Abstract: These notes provide an introduction to tensor-network methods in quantum many-body physics, with an emphasis on matrix-product states (MPS). They develop the basic tensor-network language, including graphical notation, virtual indices, bond dimensions, gauge freedom, canonical forms, QR and singular-value decompositions, and the role of entanglement in controlling the efficiency of the representation. The main MPS algorithms are then introduced, including contractions, correlation functions, matrix-product operators, DMRG, and time-evolution methods. The notes also briefly discuss projected entangled-pair states (PEPS) as a higher-dimensional generalization of MPS, together with the basic ideas behind approximate PEPS contraction. Finally, tensor-network representations of mixed states, quantum channels, and Lindblad dynamics are presented, with applications to thermal states and open quantum systems. The presentation is accompanied by short Julia code examples based on ITensor, ITensorMPS, and TensorMixedStates. These notes were written for the 9th Les Houches Summer School on Computational Physics: Open Quantum Systems, held in June 2026.

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

Improving Code-Switching ASR with Code-Mixing Guided Synthetic Speech

arXiv:2606.19381v1 Announce Type: cross Abstract: Code-switch (CS) Automatic Speech Recognition (ASR) remains challenging due to limited availability of high quality CS text-speech pairs for training. Although synthetic data augmentation via Text-to-speech (TTS) has been explored, existing CS TTS approaches primarily optimise reconstruction fidelity and do not explicitly enforce language-boundary consistency, thereby limiting their effectiveness for CS ASR augmentation. This paper proposes a code-mixing guided preference-learning framework that steers synthetic speech generation toward improved code-switching fidelity using the Code Mixing Index (CMI). Experiments on the SEAME Mandarin-English conversational corpus demonstrate that the proposed method enhances the utility of synthetic data for ASR fine-tuning. Specifically, when fine-tuning Whisper Large, the proposed approach reduces Mixed Error Rate (MER) from 12.1%/17.8% to 8.9%/14.2% on the DevMAN and DevSGE sets, respectively.

05.
arXiv (CS.AI) 2026-06-24

Grad Detect: Gradient-Based Hallucination Detection in LLMs

arXiv:2606.24790v1 Announce Type: cross Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks, yet they remain prone to generating hallucinations. Detecting these hallucinations is critical for deploying LLMs reliably in high-stakes applications. We present Grad Detect, a gradient-based approach for predicting hallucinations by analyzing layer-wise gradient patterns from a single forward-backward pass during inference. Our method shows that the internal gradient structure of a model carries rich information about the correctness of its output. This information is not accessible through output-level signals alone. We evaluate Grad Detect on several Q&A benchmarks across both hallucination detection and model abstention prediction, where it consistently outperforms confidence-based and sampling-based baselines. Through comprehensive layer ablation studies across all eleven models from four architectural families, we find that the final five layers concentrate over 97% of the discriminative gradient signal, enabling efficient deployment with minimal performance loss. Grad Detect provides a unified framework for predicting multiple dimensions of LLM reliability, offering strong predictive performance alongside interpretable insights into where and how model failures originate.

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

SPATIA: Multimodal Generation and Prediction of Spatial Cell Phenotypes

Understanding how cellular morphology, gene expression, and spatial context jointly shape tissue function is a central challenge in biology. Image-based spatial transcriptomics technologies now provide high-resolution measurements of cell images and gene expression profiles, but existing methods typically analyze these modalities in isolation or at limited resolution. We address the problem by introducing SPATIA, a multi-level generative and predictive model that learns unified, spatially aware representations by fusing morphology, gene expression, and spatial context from the cell to the tissue level. SPATIA also incorporates a spatially conditioned generative framework with confidence-aware OT reweighting and morphology-profile alignment for modeling target-state morphology distributions. Specifically, we propose a confidence-aware flow matching objective that reweights weak optimal-transport pairs based on uncertainty. We further apply morphology-profile alignment to encourage biologically meaningful image generation, enabling the modeling of microenvironment-dependent phenotypic transitions. We assembled a multi-scale dataset consisting of 25.9 million cell-gene pairs across 17 tissues. We benchmark SPATIA against 18 models across 12 tasks, spanning categories such as phenotype generation, annotation, clustering, gene imputation, and cross-modal prediction. SPATIA achieves improved performance over state-of-the-art models, improving generative fidelity by 8% and predictive accuracy by up to 3%.

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

Capability Minimization as a Safety Primitive: Risk-Aware Causal Gating for Least-Privilege LLM Agents

arXiv:2606.13884v1 Announce Type: new Abstract: Modern decision systems increasingly rely on learned components whose outputs may be confident yet wrong, exposing downstream actions to costly errors. We introduce Risk-Aware Causal Gating (RACG), a framework that decides whether to act on, defer, or abstain from a model's prediction by combining causal effect estimation with calibrated risk control. RACG models the causal pathway from candidate actions to outcomes and gates each decision according to an estimated counterfactual risk rather than raw predictive confidence. To make gating reliable, we derive distribution-free bounds on the probability of acting under high-risk conditions and show how these bounds translate into operating thresholds that satisfy user-specified safety constraints. We further propose an adaptive gating policy that adjusts to distribution shift by monitoring discrepancies between predicted and realized outcomes, tightening the gate when causal assumptions appear violated. Across simulated interventions and real-world decision benchmarks, RACG reduces high-cost errors substantially while preserving most of the utility of an ungated policy, and it outperforms confidence-based and selective-prediction baselines at matched abstention rates. Our results indicate that explicitly separating causal risk from predictive uncertainty yields decision systems that are both safer and more transparent, offering a principled mechanism for trustworthy automation in high-stakes settings.

08.
arXiv (CS.CL) 2026-06-16

The Art of Mixology: Mixup-based Obfuscation for Privacy-Preserving Split Learning in Large Language Models

Split learning provides a practical paradigm for resource-constrained users to train Large Language Models (LLMs) by offloading computation-intensive layers to a server while keeping raw data local. However, existing privacy-preserving split learning methods still face a difficult trade-off among utility, privacy, efficiency, and stability. Specifically, these methods often suffer from substantial utility degradation, remain vulnerable to advanced data reconstruction attacks, incur prohibitive computational and communication overhead, or exhibit unstable performance across different tasks. In this paper, we propose MIXGUARD, a novel mixup-based privacy-preserving split learning framework for LLMs. MIXGUARD introduces token-level obfuscation, representation-level obfuscation, and adaptive gradient perturbation mechanisms, which operate jointly to preserve useful learning signals while preventing privacy leakage to the server. Technically, MIXGUARD first constructs a lightweight calibration model on a public dataset to refine the approximated target representation, and then applies this model during privacy-preserving fine-tuning on private data. We conduct extensive experiments on four classification tasks and four text generation tasks across multiple LLM families, model sizes, architectures, and fine-tuning strategies. The results show that MIXGUARD preserves model utility comparable to non-split training baselines, consistently achieves stronger privacy protection than existing split learning defense methods against state-of-the-art data reconstruction attacks, and remains robust under adaptive attack settings.

09.
arXiv (quant-ph) 2026-06-16

Against probability: A quantum state is more than a list of probability distributions

arXiv:2601.18872v2 Announce Type: replace Abstract: The state of a quantum system can be represented by listing the outcome probabilities for a tomographically complete set of measurements. Such representations appear throughout physics, for example, in quantum field theory via correlation functions and in quantum foundations within generalized probabilistic frameworks. In this paper, we show a no-go result: To enable useful statements, the probability representation must be topologically robust$\unicode{x2014}$preserving the notion of closeness between states. Yet, a topologically robust probability representation cannot simultaneously retain other essential structure, such as the subsystem structure.

10.
arXiv (CS.AI) 2026-06-24

When Helpfulness Overrides Causal Caution: Context-Dependent Suppression and Recovery in LLMs

arXiv:2606.24370v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly integrated into decision-support roles in business and policy contexts. While prior benchmark studies have primarily evaluated LLMs' causal reasoning capabilities, a more fundamental epistemic dimension has been overlooked: Causal Caution, defined as the propensity to refrain from causal judgment when empirical evidence is insufficient. This study examines the systematic suppression of Causal Caution that occurs when LLMs shift from academic to practical advisory contexts. Using an evaluation rubric inspired by Pearl's Causal Hierarchy (the PCH score), we conducted experiments on four high-performance LLMs – Claude Sonnet 4.6, Claude Opus 4.7, GPT 5.5, and Gemini 3.1 Pro – across 480 trials. Causal Caution maintenance rates were 91.7–100.0% in academic contexts but dropped to 6.7–18.3% in practical advisory contexts (Fisher's exact test, p < .001 across all models). Furthermore, when restricted to practical prompts requesting concrete recommendations or explanatory rationales, only 1 of 200 responses (0.5%) maintained Causal Caution. A brief self-correction prompt – "Please reconsider this judgment from the perspective of causal relationships" – restored the expression of Causal Caution to maintenance rates of 71.4–100.0% (McNemar's test, p < .001 across all models). These results suggest that helpfulness-oriented response patterns may suppress the expression of Causal Caution in practical advisory contexts, with important implications for organizational governance. The findings indicate that this suppression reflects context-dependent variation in expression rather than an underlying capability limitation, suggesting that multi-agent architectures that separate proposal generation from causal auditing may offer a promising governance design.

11.
bioRxiv (Bioinfo) 2026-06-19

Identification of Altered Potassium Channels for Drug Repurposing in Long COVID Patients

Long COVID (LC) is a complex condition characterized by persistent, chronic multisystem manifestations, with a significant proportion of patients exhibiting neurological symptoms. Human ion channels (HICs), particularly potassium channels, are abundantly expressed in the nervous system and linked to key metabolic processes, making them potential candidates for understanding LC pathophysiology and drug repurposing. Meta-analysis of RNA-Seq datasets from COVID-19 recovered and LC patients was performed to identify altered HICs in LC. Differential gene expression analysis, functional enrichment analysis, and weighted gene co-expression network analysis (WGCNA) were performed to uncover key genes, pathways, and co-expression modules consisting of HICs, lipid metabolism-, and immune signaling-related genes. Drug-gene interaction analysis was performed to identify approved drugs targeting potential HICs. A total of 715 dysregulated genes, including eighteen HICs were identified, among which seven were potassium channels. Three significant modules containing HICs, lipid metabolism-, and immune signaling-related genes were identified and found to be associated with antigen processing and presentation, complement and coagulation cascades, and cytokine-related pathways. Approved drugs targeting KCNA6, KCNJ10, KCNN3, and KCNH4 were identified. With further experimental validation, these dysregulated potassium channels, supported by their co-expression networks and pathway associations, may act as potential candidates for drug repurposing in LC patients.

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

Riemann-Bench: A Benchmark for Moonshot Mathematics

arXiv:2604.06802v2 Announce Type: replace Abstract: Recent AI systems have achieved gold-medal-level performance on the International Mathematical Olympiad, demonstrating remarkable proficiency at competition-style problem solving. However, competition mathematics represents only a narrow slice of mathematical reasoning: problems are drawn from limited domains, require minimal advanced machinery, and can often reward insightful tricks over deep theoretical knowledge. We introduce Riemann-Bench, a private benchmark of expert-curated problems designed to evaluate AI systems on research-level mathematics that goes far beyond the olympiad frontier. Problems are authored by Ivy League mathematics professors, graduate students, and PhD-holding IMO medalists, and routinely took their authors weeks to solve independently. Each problem undergoes double-blind verification by two independent domain experts who must solve the problem from scratch, and yields a unique, closed-form solution assessed by programmatic verifiers. We evaluate frontier models as unconstrained research agents, with full access to coding tools, search, and open-ended reasoning, using an unbiased statistical estimator computed over 100 independent runs per problem. Our results reveal that all frontier models currently score below 10%, exposing a substantial gap between olympiad-level problem solving and genuine research-level mathematical reasoning. By keeping the benchmark fully private, we ensure that measured performance reflects authentic mathematical capability rather than memorization of training data.

13.
arXiv (quant-ph) 2026-06-24

Low Spatial Cost CCZ Magic State Factory

arXiv:2606.24170v1 Announce Type: new Abstract: We propose a design framework for reconstructing gate-based magic state distillation protocols as compact joint-measurement architectures implementable with the surface code. The goal is to reduce the surface-code resource cost of a magic state factory while preserving the logical function and error-detection structure of the distillation protocol. We construct a reduced architecture for implementing an eight-to-three CCZ distillation protocol using smaller surface-code patches. The proposed factory preserves the single-fault-detection property and the leading-order error suppression of the protocol, while producing CCZ magic states with lower spatial cost than the design of Gidney and Fowler. The proposed design perspective can also be applied to T-state factories and other multiqubit non-Clifford resource-state factories. Our approach provides a framework for extending the design space of surface-code magic state factories beyond a single CCZ layout optimization.

14.
arXiv (CS.LG) 2026-06-15

PepALD: Macrocyclic Peptide Generation via Autoregressive Latent Diffusion

arXiv:2606.14510v1 Announce Type: new Abstract: Macrocyclic peptides are promising therapeutic candidates for intracellular targets, but their design requires simultaneous control over non-natural monomer chemistry, ring topology, membrane permeability, and target binding. Existing SMILES- or HELM-string generative models either operate in long atom-level sequence spaces or treat monomers as symbolic tokens with limited chemical grounding. We introduce PepALD, an Autoregressive Latent Diffusion (ALD) foundation model for de novo macrocyclic peptide generation. The model represents HELM monomers with structured chemical embeddings, generates each residue through context-conditioned diffusion in chemically informed latent space, predicts R-group-aware ring closures during autoregressive generation, and aligns the denoiser to affinity rewards using winner-protected diffusion-adapted preference optimization. In silico experiments demonstrate PepALD's generation quality and reward-optimization performance against representative peptide generation baselines.

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

I'm Sorry Driver, I'm Afraid I Can't Do That: Appraising the Safety of LLMs within Automotive Contexts

arXiv:2606.14327v1 Announce Type: cross Abstract: This paper appraises recent frameworks within AI development to integrate LLMs into control tasks in automotive contexts from the perspective of safety assurance. This work has built upon the rapid integration of LLMs across automotive settings. However, we find that at present, these frameworks face significant challenges, limiting their efficacy in real-time safety-critical contexts. Firstly, we consider conceptual challenges, including the fact that deployers are faced with a dual challenge, wherein they must assure a model which has been developed upstream, i.e. as general-purpose tools by the large AI labs, in a downstream context, i.e. into specific vehicle architectures. Secondly, we consider concrete challenges from across existing standards. We show that there are currently both fundamental engineering constraints covered in ISO21448, such as latency, and novel LLM-specific issues, such as alignment-related issues covered in ISO/PAS8800. We ground both examples in a concrete introductory, experimental case study exploring an existing open-source repository, Talk2Drive. We present a safety argument in order to make explicit the limitations of existing solutions. Nonetheless, given that the use of LLMs in automotive contexts is being explored at a technical level and operationalised, we propose potential assurance mechanisms for LLM-related hazardous events going forward.

16.
arXiv (quant-ph) 2026-06-24

Improved State Readout in NV Centers using Regression Models and Rabi Driving

arXiv:2606.23454v2 Announce Type: replace Abstract: Readout of state populations in nitrogen-vacancy centers from fluorescence measurements at room-temperature is routinely achieved via contrast-based calibration. The fidelities achieved by this conventional approach are limited by reducing the dynamical fluorescence behaviour of the NV center to a scalar value, and calculating the population of each possible state independently. To address these limitations, we use regression models trained on experimental data to map the fluorescence signals onto ideal simulated populations. Additionally, we enhance the informational content of the fluorescence signals by performing measurements during induced Rabi oscillations. Our results demonstrate that including these dynamical signals significantly reduces state readout errors across multiple tested models. Notably, linear ridge regression performs nearly on par with a non-linear kernel-based model, showing that simple models already capture the relevant mapping between the enhanced fluorescence signals and the underlying state populations. This data-driven approach provides a robust alternative that achieves higher fidelities than conventional calibration in our setting, paving the way for high-fidelity state readout in solid-state quantum registers.

17.
bioRxiv (Bioinfo) 2026-06-11

DyMoTree decodes early cell state transitions and drivers from single-cell transcriptomes using a tree-structured neural network

Inferring early cell fate from single-cell RNA-sequencing data is essential for identifying cellular origins and fate plasticity in development and disease. However, existing methods often fail to exploit tree-structured lineage trajectories, limiting the accuracy and interpretability of fate mapping. Here we present DyMoTree, a computational framework that models cell fate decisions as nonlinear mappings between progenitor and terminal cell states under explicit lineage constraints. By integrating lineage graphs with a tree-structured neural architecture, DyMoTree learns lineage-resolved cell-state transition maps from single-cell transcriptomes, enabling robust inference of early fate bias and identification of fate-specific progenitor substates and driver genes. Across simulations, lineage-tracing experiments, and in vivo systems, DyMoTree outperformed existing methods in resolving early fate biases. Applications to mouse embryogenesis, lung adenocarcinoma progression, and CAR-T immunotherapy revealed regulatory programs underlying developmental and disease-associated transitions. DyMoTree provides a general framework for modeling lineage-resolved cell-state dynamics underlying development and disease progression.

18.
arXiv (quant-ph) 2026-06-15

Simultaneous Estimation of Partial-Transpose Moments with Active Memory Independent of the Moment Order

arXiv:2606.14204v1 Announce Type: new Abstract: We study the simultaneous estimation of partial-transpose moments $p_j(\rho_{AB})=\mathrm{Tr}[(\rho_{AB}^{T_B})^j]$, $j=2,\ldots,K$, of an unknown bipartite $n$-qubit state from independent copies under an explicit active-memory constraint. We give a sequential qubit-reuse realization of the partial-transpose permutation that uses at most $2n+1$ active qubits, independent of $K$, and estimates all moments $p_2,\ldots,p_K$ to uniform additive error $\epsilon$ with total copy complexity $O(K\log K/\epsilon^2)$. We also prove two converse bounds. First, any uniformly accurate simultaneous estimator requires $\Omega(K/\epsilon^2)$ copies in the worst case. Second, the same scaling holds on an explicit isospectral two-qubit negative-partial-transpose (NPT) family whose ordinary moments are constant while the partial-transpose moments vary. These results characterize the copy complexity of the partial-transpose moment hierarchy up to a logarithmic factor and extend simultaneous nonlinear-functional estimation from ordinary state powers to partial-transpose spectral data under active quantum memory independent of the target moment order.

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

Hierarchical Probabilistic Conformal Prediction for Distributed Energy Resources Adoption

arXiv:2411.12193v4 Announce Type: replace-cross Abstract: The rapid growth of distributed energy resources (DERs) presents both opportunities and operational challenges for electric grid management. Accurately predicting DER adoption is critical for proactive infrastructure planning, but the inherent uncertainty and spatial disparity of DER growth complicate traditional forecasting approaches. Moreover, the hierarchical structure of distribution grids demands that predictions satisfy statistical guarantees at both the circuit and substation levels, a non-trivial requirement for reliable decision-making. In this paper, we propose a novel uncertainty quantification framework for DER adoption predictions that ensures validity across hierarchical grid structures. Leveraging a multivariate Hawkes process to model DER adoption dynamics and a tailored split conformal prediction algorithm, we introduce a new nonconformity score that preserves statistical guarantees under aggregation while maintaining prediction efficiency. We establish theoretical validity under mild conditions and demonstrate through empirical evaluation on customer-level solar panel installation data from Indianapolis, Indiana that our method consistently outperforms existing baselines in both predictive accuracy and uncertainty calibration.

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

Graph Reinforcement Learning for Calibration-Aware Quantum Circuit Routing

arXiv:2606.12816v1 Announce Type: cross Abstract: Quantum circuit routing is a key step in compiling programs for noisy intermediate-scale quantum processors. Routes that appear efficient by standard overhead metrics can still lose fidelity when they pass through poorly calibrated couplers. We study a calibration-aware graph reinforcement-learning router that uses same-day IBM Heron r2 calibration data to choose hardware-edge SWAPs. We train the policy with proximal policy optimization and evaluate it with exact simulated fidelity across nine Munich Quantum Toolkit (MQT) Bench circuits and three calibration snapshots. Across these evaluations, pooled mean exact fidelity is $0.727$, compared with $0.440$ for SABRE-best20 and $0.481$ for target-aware SABRE. Fidelity gains come with higher routed two-qubit counts and are concentrated in the 5q and 8q circuit families; under the fixed tree action graph, all 10q families favor SABRE-best20. Overall, our results show that calibration-aware learned routing can improve fidelity beyond gate-count-driven compilation.

21.
bioRxiv (Bioinfo) 2026-06-11

DLDN-Bench: A Benchmark Framework for Deep Learning de Novo Peptide Sequencing in Proteomics

De novo peptide sequencing is an essential approach for analyzing mass spectrometry data because it enables the identification of novel peptides without relying on protein sequence databases. Recent advances in deep learning have substantially improved the performance of de novo sequencing methods, but the rapid emergence of new models has led to heterogeneous evaluation practices and limited comparability. To address this, we introduce DLDN-Bench, a benchmark framework including a set of benchmark datasets derived from human muscle biopsy mass spectrometry data retrieved from PRIDE and annotated through consensus across multiple widely used database search engines. Using these datasets, we systematically benchmark recent deep learning-based de novo sequencing tools alongside traditional approaches. Performance is assessed using established metrics, including precision and coverage relative to a pseudo-ground truth defined by cross-engine agreement. To demonstrate the utility of DLDN-Bench, we benchmark four recent deep learning models and make all results publicly available. This benchmark framework provides a standardized basis for comparing state-of-the-art methods and offers an extensible resource for evaluating future tools in de novo peptide sequencing.

22.
arXiv (CS.LG) 2026-06-17

Adaptable Method for Crystal Design across Diverse Constraints and Objectives with Pretrained Property Predictors

arXiv:2410.08562v5 Announce Type: replace-cross Abstract: Advanced crystal design can accelerate materials discovery across applications from photovoltaics to spintronics. Practical design must satisfy multiple properties and physical constraints, yet existing machine-learning-based approaches to such design often depend on large datasets, retraining, or task-specific generators. Here, we show that direct predictor-guided gradient optimization enables data-efficient, constraint-rich crystal design by combining off-the-shelf predictors with site-wise element masks, template initialization, and task-specific losses. In perovskites, it outperformed generative and Bayesian baselines under three targets – band gap, formation energy, and tolerance factor – and two hard constraints. DFT assessment further showed band-gap targeting competitive with a leading generative model despite using predictors trained on roughly one-tenth of the data. By flexibly combining pretrained predictors with application-oriented masks and custom losses, the same framework supported half-metal design. Such modularity could help researchers and engineers translate diverse application requirements directly into optimized candidate crystals with minimal computational cost.

23.
arXiv (CS.LG) 2026-06-18

Risk Stratification for ICU Delirium using Pervasive Ambient Sensing Information

arXiv:2606.19292v1 Announce Type: new Abstract: Delirium is a common and serious complication in the Intensive Care Unit (ICU), associated with increased morbidity, prolonged hospital stays, and higher healthcare costs. Despite its prevalence, early prediction and prevention remain challenging. Environmental factors such as ambient sound and light may influence the onset of delirium, yet they are often overlooked in risk assessments. In this study, we examined whether light intensity and sound pressure levels can independently predict delirium across multiple prediction horizons. We evaluated four efficient sequential neural network models on data collected from 9 ICUs across 309 patients to predict delirium for 10 prediction-window sizes. We reported feature importance and direction of influence using Shapley Additive Explanations analysis. The convolutional model achieved the strongest discrimination, with AUC = 0.80 on sound data and on combined data. Sound features were the dominant predictors overall. Integrating sound with light improved short-term ($

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

Data Standards for Humanoid Robotics: The Missing Infrastructure for Physical AI

arXiv:2606.19769v1 Announce Type: cross Abstract: The scalability of humanoid robots will depend not only on models and hardware, but also on whether physical experience can accumulate across robots, tasks, organizations, and time. Drawing on the authors' work in developing ISO/WD 26264-1, Humanoid robot datasets – Part 1: General requirements, within ISO/TC 299/WG 16, this article argues that data standards are becoming foundational infrastructure for Physical AI. We develop three insights. First, humanoid robot data is embodied interaction data, not a collection of isolated digital samples; a useful dataset must preserve the relationship among robot body, action, task, scene, execution trace, and outcome. Second, its value depends on physical coherence: multimodal streams are reusable only when timing, coordinate frames, calibration, kinematics, units, and synchronization assumptions remain inspectable. Third, the main bottleneck is not only data scarcity, but non-cumulative data caused by high collection costs, data silos, and inconsistent evaluation. We argue that humanoid robot data standards address these bottlenecks by making embodied experience interpretable, shareable, traceable, and reusable. A general standard should provide horizontal infrastructure for lifecycle management, metadata, provenance, quality, versioning, and traceability, while capability-specific parts should define domain grammar for manipulation, locomotion, human-robot interaction, cognition, and future humanoid capabilities. As AI moves from screens into bodies, data standards must evolve from organizing digital information to structuring physical interaction.

25.
arXiv (CS.AI) 2026-06-11

Bridging the Morphology Gap: Adapting VLA Models to Dexterous Manipulation via Intent-Conditioned Fine-Tuning

arXiv:2606.12109v1 Announce Type: cross Abstract: Vision-Language-Action (VLA) models have demonstrated remarkable zero-shot generalization in robotic manipulation, yet the vast majority of pre-trained pipelines remain strictly confined to low-DoF parallel grippers. Adapting these rich semantic priors to high-DoF dexterous hands introduces a severe morphology gap, direct end-to-end joint fine-tuning inherently causes catastrophic forgetting of spatial reasoning and acute action manifold collapse due to data scarcity. In this paper, we present InDex, a novel, data-efficient adaptation framework rooted in cross-morphology semantic inheritance. Rather than discarding the pre-trained 1-DoF parallel grasp output, we repurpose it as a continuous, macroscopic virtual grasp intent proxy to sequentialize the control topology. We implement a two-stage decoupled learning architecture: the first stage parameter-efficiently aligns the VLA backbone to predict continuous arm trajectories and the scalar grasp intent; the second stage freezes this spatial backbone and leverages an intent-conditioned denoising diffusion head to decode fine-grained joint articulations for multi-fingered end-effectors. Extensive simulation benchmarks across a suite of multi-stage, contact-rich dexterous manipulation tasks demonstrate that InDex effectively masters intricate skills with minimal demonstration data, substantially outperforming monolithic baselines while preserving the robust spatial generalizability of the original VLA prior.