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01.
arXiv (math.PR) 2026-06-18

A Stochastic ISCS Markov Model for Fake News Propagation

arXiv:2606.18282v1 Announce Type: cross Abstract: This paper studies the propagation of fake news through a stochastic rumor spreading model based on Markov chains. Inspired by classical epidemiological SIR models, we consider a generalization of the Daley-Kendall framework for rumours that incorporates fact-checkers, following the Ignorant/Spreader/Checker/Stifler model introduced in Piqueira (2020). The model analyzes the influence of checkers on fake news dynamics. Numerical simulations are used to illustrate the behavior of the system and the impact of fact-checkers.

02.
arXiv (CS.LG) 2026-06-16

GradPower: Powering Gradients for Faster Language Model Pre-Training

arXiv:2505.24275v4 Announce Type: replace Abstract: We propose GradPower, a lightweight gradient-transformation technique for accelerating language model pre-training. Given a gradient vector $g=(g_i)_i$, GradPower first applies the elementwise sign-power transformation: $\varphi_p(g)=(sign(g_i)|g_i|^p)_{i}$ for a fixed $p>0$, and then feeds the transformed gradient into a base optimizer. Notably, GradPower requires only a single-line code change and no modifications to the base optimizer's internal logic, including the hyperparameters. When applied to Adam (termed AdamPower), GradPower consistently achieves lower terminal loss across diverse architectures (LLaMA, Qwen2MoE), parameter scales (66M to 2B), datasets (C4, OpenWebText), and learning-rate schedules (cosine, warmup-stable-decay). The most pronounced gains are observed when training modern mixture-of-experts models with warmup-stable-decay schedules. GradPower also integrates seamlessly with other state-of-the-art optimizers, such as Muon, yielding further improvements. Finally, we provide theoretical analyses that reveal the underlying mechanism of GradPower and highlight the influence of gradient noise.

03.
arXiv (quant-ph) 2026-06-15

An integrated ultrahigh vacuum cluster tool for diamond surface science and single nitrogen-vacancy center measurements

arXiv:2606.13961v1 Announce Type: new Abstract: We present a custom-designed ultrahigh vacuum (UHV) cluster tool developed for studying shallow nitrogen-vacancy (NV) centers in diamond, enabling in situ diamond surface preparation, characterization, and single NV center dynamics measurements within a single connected platform. The system combines a surface science chamber for controlled surface modification and analysis with a cryogenic confocal microscope chamber dedicated to NV spin and optical measurements. This integrated approach enables a direct correlation between diamond surface chemistry and the resulting NV spin and charge properties. The instrument provides a versatile platform for systematic studies of surface-induced decoherence mechanisms and charge dynamics for shallow NV centers, and establishes a pathway toward reproducible surface engineering for quantum sensing applications.

04.
arXiv (quant-ph) 2026-06-16

Certified Finite-Shot Operating Windows for Virtual Distillation and Symmetry Verification

arXiv:2606.15464v1 Announce Type: new Abstract: Quantum error mitigation methods are usually compared through their infinite-shot bias, but on real devices the comparison is decided by finite sampling budgets, estimator instabilities, and per-shot resource costs. We develop a finite-shot operating-window theory that makes this comparison certifiable for virtual distillation (VD) and symmetry verification (SV): for each method we derive a mean-squared-error law with explicit, non-asymptotic remainder constants. For VD, the law captures the statistical bias and denominator instability of its quotient estimator, with a concentration certificate locating the sample size beyond which the quotient is trustworthy; for SV, it isolates the bias floor left by undetectable errors and the sampling penalty set by the acceptance probability. A selection trichotomy classifies any two-method comparison into a tie, uniform dominance, or a genuine tradeoff with a certified crossing window, including a self-consistency test that rejects spurious crossings. The theory makes falsifiable predictions – operating-window locations scaling as $p^{-2}$ or $p^{-1}$ in the noise rate, and the sign pattern of all pairwise comparisons – which exact white-box experiments confirm with fitted exponent $-1.97$ against the predicted $-2$ and with $300/300$ sign agreement, within a pre-registered analysis whose single failed gate, an over-strict all-instance criterion, is reported and audited in full. Gate-level simulation and archived runs on two IBM backends then test the windows under device conditions: idealized VD windows exist, but realistic interferometry overhead and denominator instability erase them, and calibrated SV is the practical winner in the tested QAOA instances. This absence of a universal winner is not a failure of mitigation; it is the regime structure that certified operating windows predict.

05.
arXiv (CS.AI) 2026-06-12

Rarity-Gated Context Conditioning for Offline Imitation Learning-Based Maritime Anomaly Detection

arXiv:2606.13311v1 Announce Type: cross Abstract: Contextual anomaly detection aims to identify abnormal behavior conditional on context variables, but practical deployments often face highly imbalanced context distributions where rare regimes can be critical information. Under such frequency bias, context-conditioned models can produce unstable decisions and excessive false alarms in rare contexts. We propose Rarity-Gated Feature-wise Linear Modulation (RGFiLM), a rarity-aware conditioning module that combines feature-wise modulation (i.e., context-conditioned scaling and shifting of hidden features) with a gate controlled by a data-driven rarity score. The rarity score is estimated from the empirical distribution of context variables and regulates how strongly context modulates intermediate representations: the gate becomes more decisive under rare contexts while remaining conservative under frequent contexts. We evaluate RGFiLM on maritime trajectory anomaly detection using AIS motion sequences with ERA5 environmental context in an environment-sensitive detour scenario. When instantiated in a sequential anomaly scoring pipeline, RGFiLM achieves the best mean F1–False Positive Rate (FPR) trade-off among the compared context-agnostic and context-conditioned methods. These results suggest that explicitly accounting for context rarity is an effective approach for reducing false alarms in context-sensitive anomaly detection.

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

SLUM-i: Semi-supervised Learning for Urban Mapping of Informal Settlements and Data Quality Benchmarking

Rapid urban expansion has fueled the growth of informal settlements in major cities of low- and middle-income countries, with Lahore and Karachi in Pakistan and Mumbai in India serving as prominent examples. However, large-scale mapping of these settlements is severely constrained not only by the scarcity of annotations but by inherent data quality challenges, specifically high spectral ambiguity between formal and informal structures and significant annotation noise. We address this by introducing a benchmark dataset for Lahore, constructed from scratch, along with companion datasets for Karachi and Mumbai, which were derived from verified administrative boundaries, totaling approximately 900 $km^2$ of urban area. This collection is supplemented by four cities from prior literature across Sub-Saharan Africa and Latin America, with comprehensive data quality assessments provided for each city. We also propose a semi-supervised segmentation framework designed to mitigate the class imbalance and distribution mismatch inherent in standard semi-supervised learning pipelines. Our method integrates a Class-Aware Adaptive Thresholding mechanism that dynamically adjusts confidence thresholds to prevent minority class suppression, and a DINOv2-based unlabeled pool filter that removes out-of-distribution tiles prior to training to reduce covariate shift. Extensive experiments across seven cities spanning three continents, repeated over five random seeds, demonstrate gains of up to +5.9 pp mIoU over state-of-the-art semi-supervised baselines, with both components being architecture-agnostic and adding no inference overhead.

07.
arXiv (CS.CV) 2026-06-17

Reload-Mamba: Hierarchical Anti-Dilution State-Space Modeling for Multi-Class Semantic Segmentation

Mamba-based state space models offer linear-time long-range modeling for high-resolution dense prediction, but sequential state-space propagation can attenuate boundary-sensitive and detail-sensitive responses that are critical in multi-class semantic segmentation. We propose Reload-Mamba, a semantic segmentation framework that addresses this propagation-induced response dilution through three segmentation-specific designs: (i) a boundary-supervised local detail prior that is explicitly trained with ground-truth boundary masks to identify regions requiring response restoration; (ii) a class-uncertainty-aware Reload Gate that incorporates per-pixel class entropy from a pre-reload auxiliary head as an additional gating signal, a formulation that is informative only under multi-class dense prediction; and (iii) a hierarchical multi-level Reload mechanism that applies anti-dilution refinement at three decoder levels and fuses the restored representations top-down. Built upon a ConvNeXt-Tiny encoder with a multi-scale decoder and four-directional Mamba scanning with pixel-wise directional attention, Reload-Mamba achieves 47.9% single-scale (48.9% multi-scale) mIoU on ADE20K and 83.2% single-scale mIoU on Cityscapes. With ResNet-101 + COCO pre-training under the standard DeepLab-style protocol, Reload-Mamba reaches 87.8% mIoU on PASCAL VOC 2012 val. Controlled ablations show that each of the three segmentation-specific designs contributes beyond a direct port of the prior anti-dilution architecture proposed for binarization, cumulatively improving over the direct-port baseline by +2.2 mIoU on ADE20K.

08.
medRxiv (Medicine) 2026-06-22

Paired plasma and EV-enriched plasma proteomics reveal nonredundant sepsis-associated host-response signatures in critical illness

Background: Plasma proteomics may identify host-response signatures in sepsis, but it is unclear whether extracellular vesicle (EV)-enriched plasma provides distinct or redundant information compared with plasma. We compared paired plasma and EV-enriched plasma proteomes in critically ill patients with sepsis and critically ill non-sepsis controls (CINS). Methods: In this prospective observational study, paired plasma and EV-enriched plasma samples were analyzed from 56 critically ill adults, including 40 patients with sepsis and 16 CINS patients. Protein abundance was quantified using liquid chromatography-tandem mass spectrometry. Analyses compared proteomic depth, protein overlap, global concordance between compartments, and differential protein abundance between CINS and sepsis. Exploratory Gene Ontology enrichment was performed as a supplementary analysis. Results: EV-enriched plasma expanded proteomic detection, identifying 2,476 filtered proteins compared with 506 in plasma. Only 386 proteins were detected in both compartments, while 2,090 were unique to EV-enriched plasma and 120 were unique to plasma. Among shared proteins, plasma and EV-enriched plasma showed modest global concordance across critically ill patients (Spearman coeff = 0.322, p = 9.19 x 10^-11), with similar findings in sepsis alone. Differential abundance analysis identified 11 sepsis-associated proteins in plasma and 22 in EV-enriched plasma. Only SAA1, SAA2, and IGFBP6 were significant in both compartments. Exploratory pathway analysis supported acute-phase and inflammatory enrichment in plasma sepsis-associated proteins, while EV-enriched signals were directionally plausible but did not meet prespecified FDR thresholds. Conclusion: Plasma and EV-enriched plasma proteomics capture related but nonredundant sepsis-associated host-response information in critically ill patients.

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

Few-shot Class-variable Incremental Audio Classification via Prototype Adaptation and Pseudo Class-variable Training

arXiv:2606.08898v2 Announce Type: replace-cross Abstract: In the task of few-shot class-incremental audio classification, the number of classes is assumed to always increase without considering the possibility of decrease. However, the number of classes generally increases or decreases in practice. In this paper, we investigate a problem of Few-shot Class-variable Incremental Audio Classification (FCIAC), in which the number of classes increases or decreases. We propose a FCIAC method using prototype adaptation and pseudo class-variable training. The model in our method consists of an encoder and a classifier. The classifier is initialized by a class-variable prototype adaptation network, whose structure dynamically changes with the change of classes. In addition, we design a pseudo class-variable training strategy to enhance the model's adaptability to changing classes. Experiments on three public datasets show that our method exceeds previous methods in average accuracy. The code is at: https://github.com/cgq2971-afk/FCIAC.

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

Divide-and-Denoise: A Game-Theoretic Method for Fairly Composing Diffusion Models

The abundance of pre-trained diffusion models provides an opportunity for composition. Combining several models, however, runs the risk of one model dominating or models disagreeing with each other. Here, we propose Divide-and-Denoise, a method for coordinating multiple pre-trained diffusion models during sampling. Much like managing a specialized workforce, our method creates a fair but efficient division of labor across models. Central to our method is the notion of an allocation which defines the responsibility of each model to every region of the noisy sample. At every timestep, we then denoise by (i) updating the allocation by solving a fair division game, where we divide the sample into regions that maximize total utility under fairness constraints, and (ii) aligning the models with this allocation, where we guide each model to denoise within its assigned region. This leads to a new composite denoising process that evolves in tandem with a division process. We evaluate Divide-and-Denoise on conditional image generation. Across several quality metrics, including the GenEval benchmark, our method outperforms baselines and resolves common failures including missing objects and mismatched attributes. Experiments show that Divide-and-Denoise utilizes each model's expertise without neglecting any other model.

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

Tabular Foundation Models for Clinical Survival Analysis via Survival-Aware Adaptation

arXiv:2606.12006v1 Announce Type: cross Abstract: Predicting time-to-event outcomes such as mortality is a fundamental task in clinical decision-making, commonly addressed through survival analysis. While classical statistical and deep learning approaches have been widely studied, they typically require task-specific training and sufficient labeled data. Recent advances in tabular foundation models offer a new paradigm by learning general-purpose representations for structured data. However, their applicability to censored time-to-event prediction in clinical settings remains underexplored, as typical applications are restricted to discrete classification rather than survival analysis tasks. In this work, we propose a lightweight adaptation approach for applying tabular foundation models to clinical survival analysis by directly training a survival-aware head on top of the pretrained representations. We study representative architectures, including TabPFN, TabDPT, and TabICL, and adapt them using a multi-task logistic regression (MTLR) head to model right-censored time-to-event outcomes. We evaluate this approach on a diverse set of public survival benchmarks and two large-scale ICU cohorts, MIMIC-IV and eICU. Our results show that this transfer learning approach achieves competitive or superior performance compared to strong baselines. On MIMIC-IV, TabDPT-FT-MTLR reaches a C-index of 0.856, corresponding to a relative improvement of +1.4% over the best non-FM baseline (DeepSurv, 0.844) and +6.7% over the best zero-shot model (0.802). On eICU, TabICL-FT-MTLR achieves 0.797, yielding gains of +1.7% (DeepSurv, 0.784) and +6.4% (0.749), respectively. These findings highlight the importance of combining pretrained tabular representations with survival-aware objectives and suggest that tabular foundation models provide a practical and effective alternative for clinical survival prediction.

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

TrajGenAgent: A Hierarchical LLM Agent for Human Mobility Trajectory Generation

arXiv:2606.12657v1 Announce Type: new Abstract: Human mobility data is important for transportation, urban planning, and epidemic control, but large-scale trajectory collection is often costly and privacy-constrained, motivating realistic synthetic trajectory generation. Existing LLM-based generators typically rely on either prompt engineering, which preserves zero-shot reasoning but lacks fine-grained spatiotemporal grounding, or trajectory-level fine-tuning, which improves statistical precision but incurs substantial computational cost and may weaken general reasoning. We propose TrajGenAgent, a semantic-aware hierarchical LLM-agent framework for human mobility trajectory generation without model fine-tuning. TrajGenAgent uses a two-stage orchestrator-worker design: an LLM first synthesizes an individual- and weekday-conditioned activity chain from historical evidence via in-context learning, and a deterministic workflow then grounds each activity into a complete visit using personalized POI retrieval, distance-aware location selection, kinematics-aware travel-time propagation, and LLM-based duration estimation. To evaluate realism beyond aggregate spatiotemporal statistics, we introduce an anomaly-detection-based evaluation framework using two complementary detectors to assess behavioral and semantic plausibility. Experiments on benchmark and large-scale simulation datasets show that TrajGenAgent improves spatiotemporal fidelity, semantic coherence, and individual-specific behavioral realism over representative neural and LLM-based baselines, while avoiding parameter updates.

13.
arXiv (CS.LG) 2026-06-15

Implicit Variational Rejection Sampling

arXiv:2606.14235v1 Announce Type: new Abstract: Variational Inference (VI) is a fundamental inference technique in Bayesian machine learning for approximating complex posterior distributions. Traditional VI often relies on the mean-field factorization, which can inadequately capture true posterior complexity. Recent advancements have leveraged neural networks to model implicit distributions, offering increased flexibility. However, the practical constraints of neural network architectures still produces inaccuracies. In this paper, we propose a method called Implicit Variational Rejection Sampling (IVRS), which integrates implicit distributions with rejection sampling to improve the posterior approximation. Our method uses neural networks to construct implicit proposal distributions, and rejection sampling with a discriminator network that estimates the density ratio between the implicit proposal and the true posterior for refining the approximation. Towards this end, we introduce the Implicit Resampling Evidence Lower Bound (IR-ELBO) as a metric to characterize the resampled distribution's quality and derive a tighter variational lower bound. Experimental results demonstrate that our method outperforms traditional variational inference techniques.

14.
arXiv (quant-ph) 2026-06-19

Mapping molecular polariton transport via pump-probe microscopy

arXiv:2504.15501v4 Announce Type: replace Abstract: We demonstrate how the transport properties of molecular polaritons in optical cavities can be extracted from a microscopic modeling of pump-probe spectroscopy. Our approach combines a mean-field treatment of the light-matter Hamiltonian with a perturbative expansion of both light and matter components, along with spatial coarse-graining. This approach extends semiclassical cavity spectroscopy to multimode light-matter interactions, providing full access to spatially resolved transient spectra. By simulating a microscopy experiment with counter-propagating pump and probe pulses, we compute the differential transmission and show how molecular dephasing and persistent dark exciton populations drive sub-group-velocity transport of the root-mean-square displacement. We analyze transport across the polariton dispersion, showing how velocity renormalization correlates with excitonic weight, consistent with experimental observations, and further its dependence on the rate of molecular dephasing. Our results highlight the need to consider measured spectroscopic observables when characterizing transport in polaritonic systems.

15.
arXiv (quant-ph) 2026-06-16

Hyperinvariant Spin Network States – An AdS/CFT Model from First Principles

arXiv:2510.06602v2 Announce Type: replace Abstract: We study the existence and limitations of hyperinvariant tensor networks incorporating a local SU(2) symmetry. As discrete implementations of the anti de-Sitter/conformal field theory (AdS/CFT) correspondence, such networks have created bridges between the fields of quantum information theory and quantum gravity. Adding SU(2) symmetry to the tensor network allows a direct connection to spin network states, a basis of the kinematic Hilbert space of loop quantum gravity (LQG). We consider a particular situation where the states can be interpreted as kinematic quantum states for three-dimensional quantum gravity. We show that important aspects of the AdS/CFT correspondence are realized in certain quantum states of the gravitational field in LQG, thus justifying, from first principles, a class of models introduced by [F. Pastawski et al., JHEP 06, 149 (2015)]. We provide examples of hyperinvariant tensor networks, but also prove constraints on their existence in the form of no-go theorems that exclude absolutely maximally entangled states as well as general holographic codes from local SU(2)-invariance. We calculate surface areas as expectation values of the LQG area operator and discuss further possible constraints as a consequence of a decay of correlations on the boundary.

16.
arXiv (quant-ph) 2026-06-11

Quantum ergodicity and semiclassical measures: mathematical results

arXiv:2606.12098v1 Announce Type: new Abstract: In this chapter we review some results describing the high-frequency eigenmodes of the Laplacian on compact manifolds, or Euclidean domains, for which the geodesic flow is chaotic. We focus on the macroscopic distribution of these eigenmodes, which is described by the concept of semiclassical measure. The main result on the question is the Quantum Ergodicity theorem, originally due to Schnirelman. We provide the detailed proof of this theorem, including the adjustments necessary to treat the case of manifolds with boundary. We also discuss the Quantum Unique Ergodicity conjecture, and some progress towards this conjecture for strongly chaotic (Anosov) systems. In particular, we describe the constraints on admissible semiclassical measures, in terms of their Kolmogorov-Sinai entropy, as well as more recent delocalization results.

17.
arXiv (CS.LG) 2026-06-18

Online Reward-Punishment Learning from Fixed-Channel Perceptual Event Streams without Environment Rewards

作者:

arXiv:2606.18963v1 Announce Type: new Abstract: We study online reward-punishment learning when the environment provides no scalar reward or evaluative label. At each step the agent receives only a fixed-channel perceptual packet, and quantities such as pain, energy, contact, damage, or cognitive error are treated as perceptual dimensions whose valence must be inferred from transition consequences. OHIRL separates four roles: M_psi learns next-packet prediction, D_omega models residual dynamics, C_eta is a fixed internal post-transition trajectory evaluator, and B_xi learns to use the resulting value evidence for later policy updates and action scoring. C_eta uses a recovery-positive and persistence/growth-negative residual-regulation orientation; a coefficient-origin audit shows that equal-unit, raw-equal, and random monotone variants preserve more than 92% of the released top-action rankings, while sign inversion preserves 0%. The reward-free protocol exposes observation transitions while withholding environment rewards, delayed external evaluators, success labels, and action-goodness labels. A conditional error decomposition separates B_xi evidence-estimation error from residual policy-optimization error. In a 2x2-XOR packet task, medicine and chili acquire opposite value under visual XOR contexts, and the same pain or spice increase can be positive or negative depending on consequence structure; B_xi reaches 0.952 balanced reward-sign accuracy. In a full online-interleaved audit, M_psi reaches holdout R2=0.907, B_xi reaches 0.940 sign accuracy, and the policy reaches 0.979 optimal-action accuracy, while immediate packet scores, prediction-error rewards, shuffled targets, zero reward, and error-reduction controls collapse. Hidden-reward CartPole and Taxi controls, public-context no-leakage audits, and module-role ablations further test information boundaries and component necessity.

18.
arXiv (CS.CV) 2026-06-11

OpenVTON-Bench: A Large-Scale High-Resolution Benchmark for Controllable Virtual Try-On Evaluation

Recent advances in diffusion models have significantly elevated the visual fidelity of Virtual Try-On (VTON) systems, yet reliable evaluation remains a persistent bottleneck. Traditional metrics struggle to quantify fine-grained texture details and semantic consistency, while existing datasets fail to meet commercial standards in scale and diversity. We present OpenVTON-Bench, a large-scale benchmark comprising approximately 100K high-resolution image pairs (up to $1536 \times 1536$). The dataset is constructed using DINOv3-based hierarchical clustering for semantically balanced sampling and Gemini-powered dense captioning, ensuring a uniform distribution across 20 fine-grained garment categories. To support reliable evaluation, we propose a multi-modal protocol that measures VTON quality along five interpretable dimensions: background consistency, identity fidelity, texture fidelity, shape plausibility, and overall realism. The protocol integrates VLM-based semantic reasoning with a novel Multi-Scale Representation Metric based on SAM3 segmentation and morphological erosion, enabling the separation of boundary alignment errors from internal texture artifacts. Experimental results show strong agreement with human judgments (Kendall's $\tau$ of 0.833 vs. 0.611 for SSIM), establishing a robust benchmark for VTON evaluation.

19.
arXiv (CS.AI) 2026-06-15

Adversarial Concept Search: Predicting Compositional Errors From Feature Geometry

arXiv:2606.13934v1 Announce Type: new Abstract: Humans cannot always intuit what scenarios are most challenging to LLMs. Hoping to capture challenging edge cases, developers either design problems to be difficult for humans or curate extensive benchmarks. What if we could instead anticipate which scenarios a model will fail on? In this paper, we use an LLM's representational geometry to predict which concept combinations it will fail on. We attribute this compositional failure to interference between salient features. In tasks that require systematic composition - toy programmatic settings, multihop reasoning, multilingual factual recall - we find that when a pair of concepts is encoded near-orthogonally, the model reliably composes them. When their linear encodings are close, producing interference, the model fails to compose them. Our method reliably anticipates failure modes across different compositional tasks, without evaluating specific inputs. These results lay the groundwork to use representational geometry to identify high-risk examples, construct targeted stress tests, and provide a scalable foundation for active learning in real-world deployment.

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

Fusion is not one-size-fits-all: Cross-Modal Representation Alignment for Time-to-Event Modeling

arXiv:2606.15038v1 Announce Type: new Abstract: Accurate time-to-event (TTE) prediction from multimodal clinical data remains challenging due to modality imbalance and distribution shift. We introduce a foundation model-driven framework for cross-modal representation alignment between CT imaging and longitudinal EHR data, designed to generalize across tasks and institutions. CT and EHR modalities are encoded independently using domain-specific foundation models and aligned in a shared latent space through four principled fusion strategies: late fusion, contrastive alignment, cross-attention, and co-attention. We evaluate two clinically distinct TTE tasks: pulmonary embolism (PE) mortality and cardiovascular disease (CVD) outcomes, on large-scale multi-institutional cohorts (PE: N=3,099 train; 1,098 internal; 435 external; CVD: N=2,951 train; 837 internal; 682 external). Fusion consistently improves concordance index by 1.5-5.4% over unimodal baselines when modalities contribute comparably. Overall, contrastive multimodal fusion, particularly with CLMBR representations, provided the most consistent and statistically robust improvements, especially for PE mortality prediction. For MACE, cross-attention (one-hot) achieved the highest internal performance and image-guided co-attention achieved the best external performance. We therefore introduce a generalizable foundation model-based cross-modal alignment framework and provide the first systematic analysis of fusion behavior under modality imbalance in TTE prediction. Our results establish task-aware multimodal alignment as a necessary design principle for robust generalization and scalable clinical deployment.

21.
bioRxiv (Bioinfo) 2026-06-08

DDI_single: Single-Sequence-Based Protein Domain Assembly

作者:

Domains are the basic units of protein structure and function. Appropriate inter-domain organization is critical to enable cooperative execution of multiple related functions. It is thus a crucial step to determine the full-length structure of multi-domain proteins for the purpose of elucidating their functions and designing new drugs to regulate these functions. Existing structure prediction algorithms are generally better at solving the internal conformation of domains, rather than modeling the relative positions between domains. To address the challenge of accurately determining multi-domain protein conformations, we develop a single-sequence-based domain assembly algorithm called DDI_single. DDI_single directly extracts features from the amino acid sequence using the protein language model ESM-1b, and accurately predicts the interactions between residue pairs of structural domains through a novel gated cross-attention module, thus achieving the correct assembly of structural domains. With the knowledge of domain definition, DDI_single achieves more than 20% higher accuracy in the task of predicting the relative distances of residue pairs between domains than that of the single-sequence-based structure prediction algorithm trRosettaX_single. When assembling domains with known spatial conformations, DDI_single correctly assembles 74.4% of the samples in the test set (TM-score>0.5). When assembling domains with unknown spatial conformations, in cases where the internal spatial conformations of domains are correctly modeled, DDI_single correctly assembles 73.9% of the samples.

22.
arXiv (CS.AI) 2026-06-18

Equivariant Graph Neural Networks Improve Optical Spectra Prediction for Materials Screening

arXiv:2606.19133v1 Announce Type: cross Abstract: Scalable prediction of optical spectra is a critical component of high-throughput materials screening for optoelectronic applications such as solar cells. Existing surrogate models are trained on spectra computed from lower levels of theory or rely on rotation-invariant scalar features, limiting their geometric expressiveness. We explore the use of equivariant graph neural networks for optical spectra prediction, adapting GotenNet to this task and evaluating it on multiple datasets including a recently published collection of 10,533 structures with spectra computed at the level of the random phase approximation (RPA). The proposed model outperforms the current state of the art, with the largest gains in the 0-8 eV range and on predicting the static real permittivity, both of particular relevance for thin-film optics.

23.
arXiv (CS.AI) 2026-06-16

Beyond Case Law: Evaluating Structure-Aware Retrieval and Safety in Statute-Centric Legal QA

arXiv:2604.06173v2 Announce Type: replace-cross Abstract: Legal QA benchmarks have predominantly focused on case law, overlooking the unique challenges of statute-centric regulatory reasoning. In statutory domains, relevant evidence is distributed across hierarchically linked documents, creating a statutory retrieval gap where conventional retrievers fail and models often hallucinate under incomplete context. We introduce SearchFireSafety, a structure- and safety-aware benchmark for statute-centric legal QA. Instantiated on fire-safety regulations as a representative case, the benchmark evaluates whether models can retrieve hierarchically fragmented evidence and safely abstain when statutory context is insufficient. SearchFireSafety adopts a dual-source evaluation framework combining real-world questions that require citation-aware retrieval and synthetic partial-context scenarios that stress-test hallucination and refusal behavior. Experiments across multiple large language models show that graph-guided retrieval substantially improves performance, but also reveal a critical safety trade-off: domain-adapted models are more likely to hallucinate when key statutory evidence is missing. Our findings highlight the need for benchmarks that jointly evaluate hierarchical retrieval and model safety in statute-centric regulatory settings.

24.
arXiv (CS.CV) 2026-06-16

AURA: Active-Response Attribution under Treatment Ambiguity in Bacterial Cytological Profiling

When a bacterial sample is exposed to several antibiotics, not every applied drug necessarily acts: if the organism is resistant to one of them, that drug leaves no morphological trace. The clinically meaningful quantity is therefore not which antibiotics were applied, but which ones were active. We show that these two are sharply decoupled in real E. coli microscopy - naively assuming the applied combination equals the active one is correct only about 37% of the time - yet existing computational tools are ill-suited to recovering the active set. Forward perturbation models such as scGen, CPA, and IMPA are designed to predict appearance from treatment, not the reverse, and inverting them degrades sharply; discriminative image classifiers tend to memorise strain- and batch-specific texture and fail to transfer across experimental replicates. We introduce AURA, which reframes the task as constrained, energy-based inverse attribution. Its central inductive bias is that the active set must be a subset of the applied set; this collapses the candidate space and lets AURA infer the active subset of applied antibiotics by decomposing residual morphology into antibiotic response atoms and selecting the subset with the lowest reconstruction energy, using no strain label at test time. AURA-E adds evidence-aware abstention, withholding a prediction when candidate explanations remain near-equally plausible. On cross-replicate transfer in an E. coli cytological profiling dataset, AURA recovers the active antibiotic combination with 95.47% exact-match accuracy.

25.
arXiv (CS.AI) 2026-06-15

Design Methodology and Performance Trade-offs Management for Distributed and Compound AI Systems

arXiv:2606.14350v1 Announce Type: cross Abstract: Artificial Intelligence (AI) systems must typically satisfy service-level objectives including accuracy, latency, and cost. The prevailing model-centric approaches select a monolithic model at design time and apply identical computation regardless of input difficulty, cannot decompose tasks across specialized components, and have knowledge that is fixed at training time. During runtime, this can lead to performance degradation and increasing costs. Because the model is the main design variable, it determines the majority of system behavior, coupling operational objectives to a single design-time choice. Addressing these limitations requires shifting from model-centric to system-centric design. Compound AI systems realize this shift by orchestrating multiple models, algorithms, and tools as distributed AI systems through explicit control logic. The performance of such systems depends on their workflow topology, the models assigned to each task, and the parameters governing runtime behavior. We present a design methodology that organizes this space along two dimensions, workflow topology and configuration selection, and identifies eight design patterns, each consolidating techniques to address a specific limitation of monolithic deployment. We validate our methodology through three case studies. Across our case studies, Compound AI configurations approach accuracy of monolithic models within 2.5 to 4 percentage points while reducing latency by up to 60% and cost by up to 71%. We show that model selection and parameter configuration jointly determine system performance, but the resulting design space grows combinatorially, as workflows compose more patterns and components. Thus, we identify five open challenges that define a roadmap from manually configured prototypes towards systems that automatically discover and maintain SLO-compliance in Compound and Distributed AI systems.