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01.
arXiv (CS.LG) 2026-06-17

SpatioTemporal Causal Network Diagnostics for Geographic Tipping Point Early Warning

arXiv:2606.17553v1 Announce Type: new Abstract: Geographic tipping points in ecosystems, climate subsystems, or ice sheets pose severe challenges for localized early warning. Classical spatial indicators such as Moran's I summarize global spatial structure, but they struggle with three issues: spatial dilution, Euclidean assumptions, and correlated noise. This paper introduces SpatioTemporal Causal Network Diagnostics (ST-CND), a framework that addresses these three issues by representing the geographic field as a time-evolving directed causal network. The core workflow is as follows: (1) infer which spatial nodes help predict other nodes via transfer entropy, replacing fixed Euclidean neighborhoods with data-driven information-flow topology; (2) estimate local recovery rates within each candidate subnetwork via dynamic mode decomposition; and (3) identify the most vulnerable subnetwork by combining three signals, namely high internal fluctuation, high internal synchronization, and low external coupling, thereby suppressing false alarms from spatially correlated noise. Validated on synthetic bifurcations and two observational sea-surface temperature benchmarks, namely Indo-Pacific SST and North Atlantic AMOC, ST-CND delivers localized and interpretable warnings. On the AMOC task, it achieves an AUROC of 0.783 and a critical-subnetwork IoU of 0.378, outperforming recurrence-network and lambda-AR1 baselines. The framework provides an interpretable and scalable pipeline for spatial early warning in Earth system science.

02.
arXiv (math.PR) 2026-06-24

Decorated stable $p$-adic self-similar processes with stationary increments

arXiv:2606.24056v1 Announce Type: new Abstract: We construct new classes of examples of self-similar processes with stationary increments indexed by $\mathbb Q_p$ via stable integrals. Classical constructions arise from the real counterpart and from discounted branching random walks. We discuss a new decoration technique that significantly enlarges these classes. The decoration technique makes use of the special symmetry of $\mathbb{Q}_p$ to obtain self-similarity and stationarity of increments, and it does not have an analogue on the real line. We also show that these enlarged classes of decorated processes are pairwise incomparable under inclusion.

03.
arXiv (CS.LG) 2026-06-18

Model-Free Reinforcement Learning Control for Resilient Cyber-Physical Systems

arXiv:2606.19069v1 Announce Type: cross Abstract: This paper compares the performance of model-free controllers on a nonlinear system under cyberattacks, including false data injection and denial-of-service attacks. Four RL reward types are analyzed for accuracy, cost, and resilience. Results show that the Lyapunov reward offers the best resilience with low tracking error. Exponential mode also provides good trade-offs with acceptable resilience under moderate training conditions. Progressive and linear rewards converge faster but are less robust. RL-MPCs show strong steady-state resilience but require longer training times; RL-PID controllers are faster with significantly less training time. Proximal Policy Optimization outperforms Deep Deterministic Policy Gradient with a significant reduction in KPI variance. This study serves to highlight how well-designed RL rewards can improve performance and resilience against cyber threats.

04.
arXiv (CS.AI) 2026-06-24

EG-VQA: Benchmarking Verifiable Video Question Answering with Grounded Temporal Evidence

arXiv:2606.24797v1 Announce Type: cross Abstract: Recent advances in Video Large Language Models (Video-LLMs) have yielded promising performance on video question answering (VideoQA). Nevertheless, existing benchmarks are predominantly evaluated through answer correctness, while the grounding of predictions in relevant video evidence remains largely unexamined. This disconnect between answer generation and evidence understanding motivates the construction of the Evidence-Grounded Video Question Answering Benchmark (EG-VQA), an open-ended evaluation protocol in which each QA pair is explicitly annotated with supporting temporal evidence, thereby requiring joint reasoning and precise evidence localization. EG-VQA is comprised of 2,067 videos and 11,838 QA pairs with fine-grained evidence annotations. To evaluate predicted evidence, Evidence-Grounded F1 (EG-F1) is introduced as a unified metric in which temporal alignment and semantic consistency against ground-truth evidence are jointly measured. Experimental evaluation reveals that even strong proprietary models struggle to accurately ground their predictions, exposing a fundamental discrepancy between answer correctness and faithful evidence localization. To bridge this gap, EG-Reasoner, an evidence-grounded reasoning model trained with explicit supervision, is proposed. State-of-the-art performance is achieved among open-source models, with results competitive against proprietary systems, particularly pronounced gains are observed on reasoning-intensive tasks such as counterfactual questions. These findings demonstrate that scaling alone is insufficient for robust video understanding and that structured evidence supervision is essential for the development of more reliable and interpretable VideoQA systems.

05.
arXiv (CS.CL) 2026-06-16

Know Your Limits : On the Faithfulness of LLMs as Solvers and Autoformalizers in Legal Reasoning

Large Language Models (LLMs) achieve strong performance on reasoning tasks, but whether this reflects faithful logical inference or heuristic approximation remains unclear. We study this question in legal entailment by comparing three paradigms, including pure LLM classification, LLM-based Formal Reasoning, and solver-based Formal Reasoning using the Z3 SMT solver, on a re-annotated subset of ContractNLI across five LLMs. Our re-annotation reveals a systematic and measurable gap between pragmatic legal interpretation and strict formal entailment, where a substantial proportion of legally sound inferences are not formally grounded without additional unstated assumptions. While introducing formal structure improves accuracy, with LLM-based Formal Reasoning achieving the highest benchmark performance, we show that this gain does not imply faithful reasoning. We identify three recurring failure modes: scope laundering, where LLMs report solver-inconsistent classifications without executing the underlying formal reasoning, producing conclusions that appear logically grounded but are not; implicit constraint blindness, where LLMs overlook logical constraints present in formal representations; and program synthesis failures, where LLMs generate incorrect Z3 code despite structured prompting. Critically, scope laundering persists across all models, raising serious concerns about the faithfulness of LLM-based formal reasoning as a proxy for symbolic execution. These results reveal a fundamental gap between benchmark accuracy and logical faithfulness.

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

BLUEmed: Retrieval-Augmented Multi-Agent Debate for Clinical Error Detection

Terminology substitution errors in clinical notes, where one medical term is replaced by a linguistically valid but clinically different term, pose a persistent challenge for automated error detection in healthcare. We introduce BLUEmed, a multi-agent debate framework augmented with hybrid Retrieval-Augmented Generation (RAG) that combines evidence-grounded reasoning with multi-perspective verification for clinical error detection. BLUEmed decomposes each clinical note into focused sub-queries, retrieves source-partitioned evidence through dense, sparse, and online retrieval, and assigns two domain expert agents distinct knowledge bases to produce independent analyses; when the experts disagree, a structured counter-argumentation round and cross-source adjudication resolve the conflict, followed by a cascading safety layer that filters common false-positive patterns. We evaluate BLUEmed on a clinical terminology substitution detection benchmark under both zero-shot and few-shot prompting with multiple backbone models spanning proprietary and open-source families. Experimental results show that BLUEmed achieves the best accuracy (69.13%), ROC-AUC (74.45%), and PR-AUC (72.44%) under few-shot prompting, outperforming both single-agent RAG and debate-only baselines. Further analyses across six backbone models and two prompting strategies confirm that retrieval augmentation and structured debate are complementary, and that the framework benefits most from models with sufficient instruction-following and clinical language understanding.

07.
arXiv (CS.CL) 2026-06-19

Displacement Is Not Direction: Evaluating Fidelity Metrics for Quantized LLM Deployment

Fidelity metrics, such as per-token KL divergence (KLD) against a high-precision reference, are often used in practice as low-cost proxies for benchmark quality. We test this practice on a 28-quant cohort of Qwen3.6-35B-A3B and a 41-quant cohort of Devstral-Small-2-24B, evaluated across a suite of downstream benchmarks. We find that KLD is strongly correlated with benchmark score over the full cohort ($\rho=-0.72$ on Qwen and $\rho=-0.86$ on Devstral, both with $p

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

NavWAM: A Navigation World Action Model for Goal-Conditioned Visual Navigation

Goal-conditioned visual navigation requires a robot to act under partial observability by anticipating how its motion will change the future egocentric view and whether that change brings it closer to the goal. Navigation world models provide such visual foresight, but they remain prediction modules that require an external planner to convert predicted futures into closed-loop control. We propose Navigation World Action Model (NavWAM), a diffusion-transformer policy that turns navigation world-model prediction into executable action by representing future observations, goal-progress values, and action chunks in a shared latent sequence. By learning future prediction jointly with the action and value targets that determine closed-loop behavior, NavWAM makes visual foresight directly usable for robot control. We build NavWAM through simulation pretraining and real-robot adaptation, and evaluate it on image-goal navigation against planning-based world models and a representative direct navigation policy. Across offline benchmarks and closed-loop real-robot deployment, NavWAM improves over planning-based world-model baselines in our evaluations while using the default policy mode without CEM-style action search. Project page: https://dachii-azm.github.io/navwam/

09.
arXiv (CS.LG) 2026-06-18

INDEQS: Informed Neural controlled Differential EQuationS

arXiv:2606.19138v1 Announce Type: new Abstract: Neural Controlled Differential Equations (NCDE) provide a powerful continuous-time framework for forecasting time series, but standard graph-based extensions typically learn spatial structure purely from data, even in settings where a directed graph structure is known a priori. We introduce Informed Neural controlled Differential EQuationS (INDEQS), a graph-based NCDE forecasting method that incorporates prior knowledge of a directed graph at distinct architectural positions. INDEQS separates inner mixing of hidden states across graph nodes from outer mixing between vector field and control, and offers both a lightweight graph-constrained variant and a more expressive variant, learning additional graph connections from data via adaptive graph convolutions. To systematically study when graph informedness is beneficial in forecasting, we devise a continuous advection simulation on directed graphs, yielding synthetic spatio-temporal datasets with known ground-truth flow structure. We then evaluate INDEQS on two real-world tasks: river discharge forecasting on a hydrological network and traffic flow prediction on PeMS08. Across these synthetic and real-world benchmarks, outer informedness consistently improves mean absolute error over an uninformed NCDE with comparable parameter count, particularly on larger graphs, while inner informedness offers a more parameter-efficient alternative when strict adherence to a known adjacency is desired. A comparison of discrete convolutional and continuous-time decoders further shows that continuous decoders yield better accuracy and greater temporal flexibility on real-world tasks. An implementation of INDEQS and the advection simulation is available at https://github.com/Mitchi1/indeqs.

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

Token Complexity of Certifying Stochastic-Oracle Reliability

Authors:

arXiv:2606.24074v1 Announce Type: cross Abstract: Wang[Wang2026] introduced the Stochastic-Oracle Turing Machine (SOTM) framework and defined token complexity as the minimum expected cost of interacting with a stochastic oracle needed to attain a specified solution quality for a task. This paper develops an analogous notion for certifying the reliability of a stochastic oracle on a given domain. Certification token complexity is the minimum expected token cost required, with controlled error probability, to distinguish oracles that meet a target reliability level from those that fall below a lower reliability threshold. We construct an SPRT-based certification SOTM that queries the oracle, computes binary correctness scores, and stops when the accumulated log-likelihood evidence crosses a decision threshold. The SOTM halts almost surely, satisfies the desired two-sided error guarantee over the reliability regions to be certified, and yields an explicit upper bound on certification token complexity in terms of the reliability thresholds, the error bound, and the expected per-turn token cost. We then establish a matching information-theoretic lower bound: even with adaptive queries, every error-bounded certification SOTM must incur the same leading-order expected token cost as the SPRT-based construction as the prescribed error bound tends to zero. Together, these bounds characterize the leading-order certification token complexity in the small-error regime.

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

ALCL: An Adaptive Log-Correntropy Loss for Robust Learning under Non-Gaussian Noise

arXiv:2606.16050v1 Announce Type: cross Abstract: Robust deep learning under heavy-tailed and impulsive noise remains challenging because conventional losses such as mean squared error (MSE) exhibit unbounded sensitivity to outliers. Although correntropy-based objectives improve robustness, existing formulations rely on fixed kernel parameters that must be empirically tuned and remain static during training. To address these limitations, we propose an Adaptive Log-Correntropy Loss (ALCL), a heavy-tailed loss formulation that adaptively learns its robustness geometry during optimization. ALCL introduces a logarithmic residual model whose shape and scale parameters are learned jointly with network weights through differentiable reparameterization. This yields a principled maximum likelihood formulation whose influence function is formally bounded and redescending, allowing the loss geometry to adapt dynamically to evolving residual statistics while suppressing extreme outliers. Comparative experiments on four widely used benchmark datasets spanning grayscale and red-green-blue (RGB) image data under mixed heavy-tailed and impulsive noise demonstrate that ALCL consistently outperforms MSE and optimally tuned generalized correntropy losses in both reconstruction fidelity and downstream classification accuracy. While performance differences remain small under low-noise conditions, under high-noise regimes ALCL improves median accuracy by up to 4.75% on grayscale benchmarks and 4.51% on RGB datasets, with reduced variance across runs. These results demonstrate that adaptive robustness through joint learning of loss parameters provides a computationally efficient alternative to static correntropy-based losses for deep learning in non-Gaussian environments.

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

SCC-Loc: A Unified Semantic Cascade Consensus Framework for UAV Thermal Geo-Localization

Cross-modal Thermal Geo-localization (TG) provides a robust, all-weather solution for Unmanned Aerial Vehicles (UAVs) in Global Navigation Satellite System (GNSS)-denied environments. However, profound thermal-visible modality gaps introduce severe feature ambiguity, systematically corrupting conventional coarse-to-fine registration. To dismantle this bottleneck, we propose SCC-Loc, a unified Semantic-Cascade-Consensus localization framework. By sharing a single DINOv2 backbone across global retrieval and MINIMA$_{RoMa}$ matching, it minimizes memory footprint and achieves zero-shot, highly accurate absolute position estimation. Specifically, we tackle modality ambiguity by introducing three cohesive components. First, we design the Semantic-Guided Viewport Alignment (SGVA) module to adaptively optimize satellite crop regions, effectively correcting initial spatial deviations. Second, we develop the Cascaded Spatial-Adaptive Texture-Structure Filtering (C-SATSF) mechanism to explicitly enforce geometric consistency, thereby eradicating dense cross-modal outliers. Finally, we propose the Consensus-Driven Reliability-Aware Position Selection (CD-RAPS) strategy to derive the optimal solution through a synergy of physically constrained pose optimization. To address data scarcity, we construct Thermal-UAV, a comprehensive dataset providing 11,890 diverse thermal queries referenced against a large-scale satellite ortho-photo and corresponding spatially aligned Digital Surface Model (DSM). Extensive experiments demonstrate that SCC-Loc establishes a new state-of-the-art, suppressing the mean localization error to 9.37 m and providing a 7.6-fold accuracy improvement within a strict 5-m threshold over the strongest baseline. Code and dataset are available at https://github.com/FloralHercules/SCC-Loc.

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

Temperature driven false vacuum decay in coherently coupled Bose superfluids

arXiv:2602.03834v2 Announce Type: replace-cross Abstract: The relaxation of a quantum field from a metastable state (false vacuum) to a stable one (true vacuum), also known as false vacuum decay, is a fundamental problem in quantum field theory and cosmology. We study this phenomenon using a two-dimensional interacting and coherently coupled Bose-Bose mixture, a platform that has already been employed experimentally to investigate false vacuum decay in one dimension. In such a mixture, it is possible to define an effective magnetization that acts as a quantum field variable. Using the Stochastic Gross-Pitaevskii equation (SGPE), we prepare thermal equilibrium states in the false vacuum and extract decay rates from the magnetization dynamics. The decay rates show an exponential dependence on temperature, in line with the thermal theory of instantons. Since the SGPE is based on complex scalar fields, it also allows us to explore the behavior of the phase, which turns out to become dynamic during decay. Our results confirm the SGPE as an effective tool for studying coupled magnetization and phase dynamics and the associated instanton physics in ultracold quantum gases.

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

MAF: Multimodal Adaptive Few-shot Prompting for Sentiment Analysis with MLLMs

Authors:

Multimodal large language models (MLLMs) have demonstrated remarkable capabilities in understanding complex multimodal content. However, their performance in sentiment analysis exhibits acute sensitivity to prompt design, rendering static, uniformly applied prompts inherently suboptimal for capturing the nuanced multimodal cues that vary across inputs. To address this limitation, we propose a Multimodal Adaptive Few-Shot Prompting (MAF) framework, which dynamically retrieves and integrates query-relevant demonstrations to elicit the sentiment reasoning capabilities of MLLMs in a context-sensitive manner. MAF constructs a demonstration retrieval module that holistically encodes facial expressions, scene context, and textual semantics, with a lip movement amplitude detection mechanism introduced for accurate speaker identification in multi-person scenarios. Departing from conventional fixed-weight fusion, a lightweight coefficient generation network is trained to output query-conditioned fusion weights in real time, enabling weighted aggregation of multimodal similarity scores to retrieve the top-K most informative demonstrations. Prediction stability is further enhanced through majority voting over multiple candidate outputs generated by the MLLM. Extensive experiments on public benchmark datasets demonstrate that MAF achieves substantial and consistent performance improvements over the corresponding backbone variants and remains competitive with strong multimodal sentiment-analysis baselines.

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

MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems

With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.

16.
bioRxiv (Bioinfo) 2026-06-14

Robust integration of weakly anchored spatial multi-omics

Spatial multi-omics holds great promise for dissecting complex biological processes, though inherent technical constraints continue to limit its widespread adoption. Currently, most studies therefore measure distinct omics features on separate tissue sections, necessitating spatial diagonal integration. An emerging practical solution is to leverage hematoxylin and eosin (H&E) images as an integration anchor, given their ubiquity, low cost, and compatibility across tissue preparations. However, this anchor is frequently compromised in real-world settings by variations in H&E staining style, absence of reliable histological landmarks, and mismatches in spatial resolutions across omics modalities. To address this, we introduce SpaWeaver, a computational framework that couples a pathology foundation model with a graph Transformer and a latent feature aligner module, providing a highly robust solution for weakly anchored spatial omics data diagonal integration. Extensive experiments demonstrate that SpaWeaver exhibits superior robustness against isolated or synergistic weak-anchoring factors. The spatial multi-omics profiles generated by SpaWeaver link molecular features originally separated on two sections, unlocking diverse downstream analyses once exclusive to co-assayed spatial multi-omics data, including niche-aware cell-cell communication inference and multi-omics resolved cell state. In this study, it unveils tumor-distance-dependent fibroblast-CD4+ T-cell signaling in human colon adenocarcinoma and identifies a hypoxic glycolytic tumor state with pyknotic nuclei in human ovarian cancer. Overall, our approach bridges readily accessible single-omics measurements across weakly anchored tissue sections, enabling unified spatial multi-omics characterization and system-level tissue analysis.

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

Deep Sleep Classification via EEG Signal Criticality: A Passive BCI Approach for Sleep-Improvement Neurofeedback

arXiv:2606.13017v1 Announce Type: cross Abstract: Automated sleep staging is a fundamental application of passive Brain-Computer Interfaces (pBCI), decoding spontaneous neural states to enable closed-loop interventions independent of user intent. This study evaluates criticality features derived from Detrended Fluctuation Analysis (DFA) for the specific identification of deep sleep (N3). We analyzed $347,232$ EEG epochs from $290$ older women using UMAP manifold learning to visualize state transitions. Subsequently, six classifiers were benchmarked via 10-fold cross-validation, using balanced accuracy to determine the optimal "state-sensing" engine for neurofeedback.Naive Bayes achieved the highest mean balanced accuracy ($87.17\% \pm 0.24\%$), significantly outperforming a fully connected deep neural network (FNN: $81.58\%$) and Random Forest ($80.97\%$). Linear models (LDA: $57.21\%$; SVM: $51.01\%$) performed poorly, indicating that DFA-derived criticality features reside on a distinct, non-linear manifold. Probabilistic decoding of EEG criticality provides a high-accuracy sensing mechanism for pBCIs. This robust classification pipeline supports the development of state-dependent neurofeedback, such as targeted auditory stimulation, to enhance cognitive recovery.

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

FAIRVAR: Fair Federated Learning via Variance Regularization

arXiv:2508.12042v3 Announce Type: replace Abstract: Federated learning (FL) allows collaborative training of machine learning models across multiple parties without sharing raw data. However, heterogeneous data can cause some clients to have disproportionate influence on the global model, leading to disparities in their performance. Fairness, understood as reducing these disparities, is therefore a crucial concern in FL and has been addressed in various ways. We studied performance equitable fairness in FL, where the goal is to minimize performance disparities across clients. We evaluated several existing fairness-aware methods and introduce here a new gradient-variance-regularized method, implemented in two variants: FairGrad (approximate) and FairGrad* (exact). We theoretically characterize the connections between these methods and, empirically, on heterogeneous benchmarks, show that FairGrad and FairGrad* consistently improve fairness by reducing variance in client accuracies, while maintaining competitive or improved mean performance compared to existing fairness-aware baselines.

20.
arXiv (CS.CL) 2026-06-19

Quantifying Aleatoric Uncertainty of In-Context Learning for Robust Measure of LLM Prediction Confidence

In-Context Learning (ICL) allows LLMs to adapt to new tasks from a few demonstrations, but its reliability remains a concern: predictions are highly sensitive to both prompt design and the model's ability to understand the context, obscuring whether failures arise from data properties or model limitations. Uncertainty decomposition-separating aleatoric from epistemic sources-is particularly crucial in this setting, yet existing methods, designed for standard generation tasks, fail to capture the unique dynamics of ICL. To address this, we introduce a concept of self-function vectors, built upon Bayesian views and the mechanistic interpretability of ICL. These vectors leverage internal model representations to model the latent concept learned during in-context prompting, thereby enabling a direct estimation of aleatoric uncertainty within a Bayesian framework and circumventing the reliance on brittle input or decoding manipulations. Given the lack of established benchmarks and suitable evaluation protocols, we also propose the first and rigorous evaluation protocol, in which data is manipulated in controlled ways so as to quantify aleatoric uncertainty precisely and separately from epistemic uncertainty. With this new evaluation framework, initially grounded in synthetic tasks for conceptual development and subsequently extended to real-world datasets, we show that our proposed methodology can measure uncertainty of LLM predictions made under ICL more reliably than existing alternative methods. Moreover, we show it can be used as a practical tool for trustworthy-related applications, such as hallucination detection. Our findings pave a new direction for connecting the quantitative view of uncertainty with the mechanistic understanding of model behavior.

21.
bioRxiv (Bioinfo) 2026-06-10

GEOAgent: An AI-driven Autonomous Framework for Intelligent GEO Data Retrieval and Standardized Preprocessing

Datasets in the Gene Expression Omnibus (GEO) remain difficult to reuse at scale because sample annotations are heterogeneous and raw sequencing data require assay-specific preprocessing. We present GEOAgent, an AI-driven autonomous framework designed for intelligent dataset retrieval and standardized preprocessing by coupling autonomous semantic governance with an automated Nextflow pipeline named bioStream. Metadata from 181,760 sequencing series and 84,756 associated PubMed records were organized in a relational database and semantic index to support natural-language dataset retrieval. The framework automatically determines assay modalities, resolves experimental design pairings, and standardizes sample naming to minimize manual curation overhead. Based on these parsed attributes, the framework generates deployment-ready manifests to automatically execute containerized workflows across bulk and single-cell omics modalities. In expert-curated benchmarks, the workflow achieved 96% retrieval precision alongside 100% accuracy in assay classification and sample relationship resolution. The web platform is publicly accessible, while the source code and associated databases are openly available via GitHub and Zenodo.

22.
arXiv (CS.LG) 2026-06-11

PCS-UQ: Uncertainty Quantification via the Predictability-Computability-Stability Framework

arXiv:2505.08784v2 Announce Type: replace-cross Abstract: As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

23.
arXiv (CS.LG) 2026-06-15

XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

arXiv:2606.14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used characterization technique, yet recovering the atomic structure from diffraction data requires solving an underdetermined inverse problem due to the loss of phase information. Generative modeling can provide a prior over atomic structure and learn the mapping from PXRD patterns to crystal structures via simulated structure-spectrum pairs. We present XRDiff, a diffusion model that recovers crystal structures from PXRD given either the stoichiometry or, in a more challenging setting, the elemental constituents and total number of atoms in the unit cell. We evaluate on datasets where each stoichiometry has multiple polymorphs and all polymorphs of a given composition are held out together, ensuring that high performance reflects genuine use of the diffraction signal. XRDiff achieves strong structure recovery rates on simulated benchmarks, indicating that the model learns a spectrum-to-structure mapping precise enough to differentiate between polymorphs. To address generalization to experimental data, we compare a full-spectrum encoding against an encoding based on peak descriptors. The peak-based encoding generalizes substantially better, outperforming even a model trained on full spectra with augmentations fitted to the experimental noise distribution. These results demonstrate that representations robust to the noise and artifacts present in real-world PXRD offer a practical and scalable path toward closing the simulation-to-experiment gap, enabling zero-shot crystal structure solution from experimental PXRD with full or partial chemical composition input.

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

UniTranslator: A Unified Multi-modal Framework for End-to-end In-Image Machine Translation

In-Image Machine Translation (IIMT) aims to translate scene text in an image and render the translated text back into the original regions while preserving the overall visual appearance. Recent unified multimodal models provide a promising solution by combining visual-text understanding and image generation within a single framework. However, directly adapting such models to IIMT remains challenging. In particular, they often suffer from understanding-generation conflicts, where the translation inferred during understanding is inconsistent with the text supervision used in generation, and spatial position misalignment, where the rendered text does not accurately match the target text regions. To address these issues, we present UniTranslator, a unified multimodal framework for IIMT that tightly couples translation understanding and text editing. Specifically, we introduce an Understand-Generation Alignment Module (UGAM) to bridge the representation gap between understanding and generation, encouraging semantic consistency between translated content prediction and text rendering. We further propose a Spatial Mask Decoder (SMD) with pixel-level supervision over text regions to improve spatial grounding, geometric alignment, and layout controllability during generation. Extensive experiments on multiple benchmarks demonstrate that UniTranslator achieves state-of-the-art performance across diverse language directions and complex real-world layouts. Moreover, our results reveal a strong mutual reinforcement effect between translation understanding and image generation, highlighting the advantage of unified translation multimodal learning. Code is available at https://github.com/SeerRay-Lab/Unitranslator.

25.
bioRxiv (Bioinfo) 2026-06-11

Combinatorial docking and molecular generation to navigate over 100-billion molecules for prospective ligand discovery

Commercially available make-on-demand libraries now exceed 100 billion compounds, requiring over 50 years to screen on 2,000 CPU cores using conventional docking. We present two complementary approaches to address this challenge. CombiDOCK, a combinatorial docking framework, enables exhaustive screening at the 100-billion scale within 40 days. MINT-Dock, a generative framework, accelerates navigation of this space by integrating CombiDOCK with Monte Carlo Tree Search. Benchmarked on 46 diverse targets, CombiDOCK matched full-molecule docking accuracy, and MINT-Dock achieved a 4,800-fold enrichment over random selection. Compared with prior billion-scale brute-force campaigns against {sigma}2, VMAT2, and VAChT, prospective CombiDOCK screens of the 100-billion-molecule library yielded higher hit rates and more potent ligands, while MINT-Dock achieved comparable outcomes across single- and multi-target objectives with >20-fold computational cost reductions. Docking-predicted poses of the best VAChT-binding compounds were confirmed by cryo-EM structures. These methods provide exhaustive and generative paths for navigating the trillion-molecule frontier of drug discovery.