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01.
arXiv (CS.AI) 2026-06-18

ThinkDeception: A Progressive Reinforcement Learning Framework for Interpretable Multimodal Deception Detection

arXiv:2606.18988v1 Announce Type: new Abstract: Multimodal deception detection is critical for identifying fraudulent intentions, yet existing approaches predominantly rely on end to end black–box paradigms. These methods suffer from a severe lack of interpretability failing to provide transparent reasoning trajectories and struggling to explicitly capture the subtle, cross modal inconsistencies inherent in deceptive behaviors. To transcend these limitations, we propose ThinkDeception, a novel and interpretable multimodal deception detection framework. As a pioneering effort, it introduces Multimodal Large Language Models (MLLMs) into this domain, transforming deception detection from a traditional binary classification task into an explicit cognitive reasoning process. Facilitated by the first meticulously annotated step–by–step multimodal Chain of Thought (CoT) dataset, we develop a foundational model, ThinkDeception Base, empirically validating the critical role of modal inconsistency in decoding deception. Building upon this foundation, our core innovation lies in proposing Visual-Audio Consistency Group Relative Policy Optimization(VAC–GRPO) equipped with a progressive training strategy. Distinct from standard GRPO, we stratify the training data into four progressive difficulty tiers, guiding the model through a psychologically grounded easy–to–hard cognitive transition. By innovatively coupling this dynamic curriculum scheduler with a multi dimensional, process aware reward mechanism and a reflective learning paradigm, we significantly elevate the model's overall reasoning quality. Extensive experiments on mainstream benchmarks demonstrate that ThinkDeception establishes a new SOTA, significantly outperforming existing methods in both detection accuracy and rationale quality. Ultimately, this work successfully drives the field of deception detection toward interpretable, multimodal cognitive reasoning.

02.
arXiv (quant-ph) 2026-06-15

Digital programming of spin correlations in a fermionic lattice quantum simulator

arXiv:2606.13772v1 Announce Type: cross Abstract: Analog quantum simulation provides a highly controlled platform to study diverse quantum many-body phenomena. However, current methods for state initialisation are limited to thermal ensembles or uncorrelated product states. Here we present a hybrid approach that complements analog preparation with a digital quantum-gate protocol. This approach enables the engineering of target states with specific, long-range spin-correlations from the same initial resource state. By applying collisional gates to adiabatically prepared and filtered four-fermion singlet chains, we program diverse spin-correlation patterns, including that of a Heisenberg chain. We measure the spin correlations using a sequence of quantum gates followed by singlet-pair measurements. Our method paves the way to the targeted preparation of strongly correlated states of matter.

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

DVANet: Degradation-aware Visual-prior Alignment Network for Image Restoration

All-in-One image restoration aims to develop a unified restoration framework for handling diverse degradation types. Existing end-to-end methods usually regard the restoration process as a black-box mapping, lacking an explicit optimization interpretation. Although deep unfolding provides an interpretable iterative modeling paradigm for image restoration, existing methods mostly rely on fixed degradation assumptions or predefined degradation information, making them difficult to adapt to unified restoration requirements under complex degradations and locally damaged content. This limitation restricts their performance in degradation suppression and structural detail recovery. To address these issues, this paper proposes DVANet, a deep unfolding network inspired by the half-quadratic splitting optimization algorithm, which formulates unified image restoration under complex degradations as a collaborative unfolding process between degradation-aware observation consistency and visual-prior-guided reconstruction. Specifically, in the degradation-aware observation consistency branch, a degradation representation module is employed to extract global degradation attributes and local degradation cues, and degradation-conditioned mapping is used to enhance the model's adaptability to different degradation types. In the visual-prior-guided reconstruction branch, DINOv3 is introduced to provide structural and semantic information as hierarchical visual priors, thereby complementing the missing structural information in damaged regions and improving detail recovery. Extensive experiments demonstrate that DVANet achieves superior or competitive performance on multi-scenario degradation and cross-domain image restoration tasks, showing favorable degradation adaptability and generalization ability.

04.
arXiv (CS.AI) 2026-06-12

Graph Reduction in Multirelational Networks: A Spreading-Oriented Reduction Benchmark

arXiv:2606.12581v1 Announce Type: cross Abstract: Real-world networks are inherently incomplete, noisy, and dynamically evolving, making it difficult to capture all actors and their relationships. Their scale often renders direct analysis computationally demanding. While influence maximisation (IM) has been widely studied, the role of graph reduction as a preprocessing step, and its impact on IM accuracy, remains underexplored. In this work, we introduce the Spreading-Oriented Reduction Benchmark (SORB), an open-source, standardised framework for systematically evaluating IM models across diverse task settings. SORB provides an extensible pipeline operating on a representative collection of real-world networks, including single- and multilayer structures, and accounts for graph reduction directly into the evaluation process. This design shifts the focus from analysing IM algorithms in isolation to quantifying how graph reduction alters predictive performance. Using SORB, we study the effects of sparsification and coarsening across multiple IM scenarios. Our results show that the impact of reduction is strongly dependent on both the network type (single-layer vs. multirelational) and the downstream task ($Gain@k$ vs. $\mathrm{AUC}_{\mathrm{cutoff}}$): sparsification preserves seed set quality on single-layer networks, whereas flattened multilayer networks exhibit systematic ranking degradation regardless of reduction strategy. These findings highlight the importance of reduction-aware, multi-task evaluation when studying spreading processes in complex networks.

05.
arXiv (math.PR) 2026-06-19

Towards practical PDMP sampling: Metropolis adjustments, locally adaptive step-sizes, and NUTS-based time lengths

arXiv:2503.11479v2 Announce Type: replace-cross Abstract: Piecewise-Deterministic Markov Processes (PDMPs) hold significant promise for sampling from complex probability distributions. However, their practical implementation is hindered by the need to compute model-specific bounds. Conversely, while Hamiltonian Monte Carlo (HMC) offers a generally efficient approach to sampling, its inability to adaptively tune step sizes impedes its performance when sampling complex distributions like funnels. To address these limitations, we introduce three innovative concepts: (a) a Metropolis-adjusted approximation for PDMP simulation that eliminates the need for explicit bounds without compromising the invariant measure, (b) an adaptive step size mechanism compatible with the Metropolis correction, and (c) a No U-Turn Sampler (NUTS)-inspired scheme for dynamically selecting path lengths in PDMPs. These three ideas can be seamlessly integrated into a single, `doubly-adaptive' PDMP sampler with favourable robustness and efficiency properties.

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

LemonHarness Technical Report

arXiv:2606.24311v1 Announce Type: new Abstract: As large language model (LLM) agents are applied to longer tasks, they increasingly modify workspace state across multiple rounds of iteration. However, agents typically observe only tool outputs and log fragments, while the actual state changes occur in the file system. Without explicit workspace boundaries, state-changing operations such as file writes and temporary artifact generation may scatter changes across paths. Over time, these weakly constrained changes accumulate, making states such as modified files difficult to track. This paper presents LemonHarness, an integrated execution framework for long-horizon agents. LemonHarness establishes an explicit execution boundary by constraining state-changing operations within a clearly defined workspace and bringing model invocation, tool execution, and rule knowledge within a single controlled boundary. State-changing operations, including file writes, dependency installation, and temporary artifact creation, are executed through structured tool interfaces, with execution feedback recorded as observations available to subsequent model decisions. The system also introduces a reusable rule knowledge base, which turns recurring execution rules and acceptance criteria into runtime knowledge. LemonHarness further adds a time-aware execution mechanism that exposes elapsed and remaining budget to the model, so it can rebalance exploration, implementation, and validation effort as time pressure shifts and avoid timeouts from long waits or excessive verification. On Terminal-Bench 2.0, LemonHarness_GPT-5.3-CodeX reached 84.49% accuracy over 445 trials; pairing the same framework with the stronger GPT-5.5 backbone raised the average accuracy to 86.52% across five jobs. The results suggest that a unified runtime boundary, callable rule knowledge, and time-aware execution can improve the stability of long-horizon agent execution.

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

THEIA: Learning Complete Kleene Three-Valued Logic in a Pure-Neural Modular Architecture

arXiv:2604.11284v5 Announce Type: replace-cross Abstract: We present THEIA, a 2.75M-parameter modular neural architecture that learns the complete Kleene three-valued logic (K3) truth table from task data without external symbolic inference or hand-encoded K3 gate primitives. Across 5 seeds it passes all 39 K3 rules at >99% per-rule accuracy. K3 learnability is not the central finding: Transformer baselines also pass all 39 rules, and flat MLPs match THEIA on Phase-1 accuracy within 0.04pp. The contributions are two properties of the learned system. (1) Uncertainty-verdict asymmetric propagation. THEIA preserves Has-Unknown at every upstream boundary (80.0/91.1/90.8/99.7% across Arith/Order/Set/Logic vs. ~52% majority) while final-verdict decodability stays at or below a 73.4% U-vs-non-U oracle reference under linear and nonlinear probes. Activation patching on non-absorbent T->U cases flips 4,898/4,898 OR and 4,719/4,719 AND pairs across 5 seeds, ruling out residual shortcuts. (2) Reliability spectrum under discretized end-to-end training, on tasks decomposable along the engine boundaries. A mod-3 sequential composition task generalizes from 5- to 500-step evaluation at 99.96+-0.04% (5 seeds). Under identical Gumbel-softmax training, flat MLPs collapse to chance by 50 steps; a 2x2 ResMLP grid reaches >=99% on only 3/20 (config, seed) trials; a pre-LN Transformer reaches 99.24+-0.34%. Straight-through discretization prevents 0.999^500 compounding; the architectural separator is sustaining Phase-1 accuracy under Phase-3 training, where flat MLPs fail. Auxiliary: under per-architecture development defaults (not optimizer-controlled), THEIA reaches 12/12 Kleene coverage 6.5x faster than a parameter-comparable 8L Transformer; this narrows to ~3.6x with Transformer-standard tuning and 4.93x with the same recipe on both. Ratios are config-specific, not asymptotic.

08.
arXiv (CS.LG) 2026-06-19

Predicting gestational age at birth in the context of preterm birth from multi-modal fetal MRI

arXiv:2606.20172v1 Announce Type: new Abstract: Preterm birth is associated with significant mortality and a risk for lifelong morbidity. The complex multifactorial aetiology hampers accurate prediction and thus optimal care. A pipeline consisting of bespoke machine learning methods for data imputation, feature selection, and regression models to predict gestational age (GA) at birth was developed and evaluated from comprehensive multi-modal morphological and functional fetal MRI data from 333 control cases and 93 preterm birth cases. The GA at birth predictions were classified into term and preterm categories and their accuracy, sensitivity, and specificity were reported. An ablation study was performed to further validate the design of the pipeline. Performance was evaluated using stratified 10-fold cross-validation. The pipeline achieves an R2 score of 0.13 and a mean absolute error of 2.74 weeks. It also achieves a 0.77 accuracy, 0.59 sensitivity, and 0.82 specificity across folds. The predominant features selected by the pipeline include cervical length and statistics derived from placental T2* values. The confluence of fast, motion-robust and multi-modal fetal MRI techniques and machine learning prediction allowed the prediction of the gestation at birth. This information is essential for any pregnancy. To the best of our knowledge, preterm birth had only been addressed as a classification problem in the literature. Therefore, this work provides a proof of concept. Future work will increase the cohort size to allow for finer stratification within the preterm birth cohort. Our code is available at https://github.com/dfajardorojas/ml-for-preterm-birth-.

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

Probabilistic Signature Inversion: Learning Conditional Distributions from Truncated Signatures

arXiv:2606.15332v1 Announce Type: new Abstract: The signature transform is a principled feature map for continuous-time paths, valued for its uniqueness and universality. Recovering a path from its truncated signature is, however, structurally ill-posed because the truncated signature map is not injective. We therefore reframe truncated signature inversion as a probabilistic problem – learning the conditional distribution of a path given its truncated signature – and adopt a signature-conditioned flow matching model as a practical estimator. This probabilistic formulation elucidates the fundamental difficulty of inversion: Bayes reconstruction error quantifies the irreducible uncertainty remaining after conditioning on a statistic. We derive the Bayes-optimal error under linear statistics, obtaining a closed form for log-GBM and numerically tractable formulas for log-fBM and OU, yielding a concrete theoretical baseline for model validation. This baseline upper-bounds the Bayes error under truncated-signature conditioning, since truncated signatures provide richer information than linear statistics. Experiments show that empirical reconstruction errors under linear-statistics conditioning faithfully align with the theory-derived baseline, while errors decrease when the statistic is replaced with truncated signatures. Moreover, generated paths faithfully recover the conditioning signature while preserving key distributional and temporal structures, indicating that the estimator is well-calibrated to the target conditional distribution. Together, these results establish a well-posed probabilistic framework for truncated-signature inversion, with applicability demonstrated on real financial data beyond the parametric process families covered by theory.

10.
arXiv (CS.AI) 2026-06-15

PRISM: Perception Reasoning Interleaved for Sequential Decision Making

arXiv:2605.05407v2 Announce Type: replace Abstract: Scaling LLM-based embodied agents from text-only environments to complex multimodal settings remains a major challenge. Recent work identifies a perception-reasoning-decision gap in standalone Vision-Language Models (VLMs), which often overlook task-critical information. In this paper, we introduce PRISM, a framework that tightly couples perception (VLM) and decision (LLM) through a dynamic question-answer (DQA) pipeline. Instead of passively accepting the VLM's description, the LLM critiques it, probes the VLM with goal-oriented questions, and synthesizes a compact image description. This closed-loop interaction yields a sharp, task-driven understanding of the scene. We evaluate PRISM on the ALFWorld and Room-to-Room (R2R) benchmarks. We show that: (1) PRISM significantly outperforms state-of-the-art image-based models, (2) our Interactive goal-oriented perception pipeline yields systematic and substantial gains, and (3) PRISM is fully automatic, eliminating the need for handcrafted questions or answers.

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

Smoothing Dark Areas in Molecular Latent Diffusion

arXiv:2606.13955v1 Announce Type: new Abstract: Latent diffusion is a promising framework for scalable 3D molecular generation, but it requires a latent space that remains smooth, valid, and navigable beyond posterior samples. Existing molecular VAEs, however, are typically learned through reconstruction-based objectives, which do not guarantee such a latent space. We show that this leads to dark areas: regions of latent space that are reachable during diffusion sampling but decode to disconnected or chemically invalid molecules. Unlike in image generation, molecular decoding requires strict structural and chemical precision, so even small latent perturbations can produce catastrophic failures. We therefore propose TopVAE, a topology-optimized VAE that reduces dark areas by making the decoder internalize structural and chemical constraints during training, eliminating the need for test-time chemical correction. TopVAE greatly improves off-posterior robustness, and when paired with a standard DiT, achieves $77\%$ lower FCD-3D on QM9, the highest V&C, $52\%$ lower FCD-3D on GEOM-Drugs, and $1.29{\times}$ more stable and connected molecules on zero-shot scaffold inpainting.

12.
arXiv (CS.CL) 2026-06-19

NIM4-ASR: Towards Efficient, Robust, and Customizable Real-Time LLM-Based ASR

Integrating large language models (LLMs) into automatic speech recognition (ASR) has become a mainstream paradigm in recent years. Although existing LLM-based ASR models demonstrate impressive performance on public benchmarks, their training remains predominantly data-driven, leaving key practical challenges insufficiently addressed – particularly limited downward scalability in resource-constrained deployments and hallucinations under acoustically challenging conditions. To address these issues, we present NIM4-ASR, a production-oriented LLM-based ASR framework optimized for both efficiency and robustness. Grounded in a principled delineation of functional roles between the encoder and the LLM, we redesign the multi-stage training paradigm to align each module with its intended capability boundary. Specifically, we reformulate the pre-training architecture and objective to mitigate the modality gap and improve parameter efficiency; introduce an iterative asynchronous SFT stage to preserve acoustic fidelity and constrain representation drift; and design an ASR-specialized reinforcement learning stage to further enhance recognition quality and robustness. We additionally incorporate a suite of production-oriented optimizations, including robustness under noisy and silent conditions, real-time streaming inference, and hotword customization via retrieval-augmented generation (RAG). Experiments show that NIM4-ASR achieves state-of-the-art performance on multiple public benchmarks with merely 2.3B parameters, while substantially outperforming larger-scale competitors on internal benchmarks – particularly in entity-intensive real-world scenarios. NIM4-ASR further supports million-scale hotword customization via RAG with sub-millisecond retrieval latency, enabling efficient adaptation to emerging entities and personalized user requirements.

13.
medRxiv (Medicine) 2026-06-22

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

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

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

Peak-Based Nuclide Identification in HPGe $\gamma$-Spectrometry with Machine Learning and SHAP

arXiv:2606.14874v1 Announce Type: cross Abstract: High-purity germanium gamma spectra often require time-consuming analyses from subject matter experts. Photopeaks within these spectra are carefully fitted and numerical methods are employed to assist with nuclide identification (NID) and quantification. Amending the list of nuclides identified by analysis software can be nontrivial. When many samples need to be analyzed, it is therefore challenging to make timely and correct decisions. Supervised machine-learning-based NID can serve as an expert-informed, automated tool to improve the initial set of radionuclides suggested to an analyst and more effectively drive subsequent quantification. To that end, we implemented machine learning models that map photopeaks carefully fitted by analysts to NID results for experimental spectra containing various isotopic combinations drawn from a set of 65 isotopes. The best model achieved an F1 score of 0.97, markedly surpassing the F1 score of 0.84 achieved by traditional software when compared using a nuclide library comprising the same 65 isotopes assessed by the models. Finally, we illustrated the most important input features for model predictions using Shapley Additive Explanations. These explanations revealed that the models use physically relevant photopeaks when making predictions for the isotopes in our nuclide library.

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

MOSIC: Model-Agnostic Optimal Subgroup Identification with Multi-Constraint for Improved Reliability

arXiv:2504.20908v3 Announce Type: replace Abstract: Current subgroup identification methods typically follow a two-step approach: first estimate conditional average treatment effects and then apply thresholding or rule-based procedures to define subgroups. While intuitive, this decoupled approach fails to incorporate key constraints essential for real-world clinical decision-making, such as subgroup size and propensity overlap. These constraints operate on fundamentally different axes than CATE estimation and are not naturally accommodated within existing frameworks, thereby limiting the practical applicability of these methods. We propose a unified optimization framework that directly solves the primal constrained optimization problem to identify optimal subgroups. Our key innovation is a reformulation of the constrained primal problem as an unconstrained differentiable min-max objective, solved via a gradient descent-ascent algorithm. We theoretically establish that our solution converges to a feasible and locally optimal solution. Unlike threshold-based CATE methods that apply constraints as post-hoc filters, our approach enforces them directly during optimization. The framework is model-agnostic, compatible with a wide range of CATE estimators, and extensible to additional constraints like cost limits or fairness criteria. Extensive experiments on synthetic and real-world datasets demonstrate its effectiveness in identifying high-benefit subgroups while maintaining better satisfaction of constraints.

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

Unifying Acoustic Features and Text with Multimodal LLMs for Neurodegenerative Screening

arXiv:2606.14788v1 Announce Type: cross Abstract: Voice-based screening offers a scalable and non-invasive way to assess neurodegenerative diseases such as Alzheimer's disease (AD) and Parkinson's disease (PD), but their staging remains challenging due to the difficulty of integrating heterogeneous data. This paper presents NeurMLLM, an efficient multimodal generative framework for neurodegenerative disease staging. NeurMLLM first encodes the spectrograms and Mel-frequency cepstral coefficients of audio data with vision transformers and projects their representations into the embedding space of a large language model (LLM), where they are concatenated with transcript and demographic instruction tokens as a single unified sequence. The LLM is then instruction-tuned via Low-Rank Adaptation using task prompts to autoregressively predict a constrained label token, enabling a generative classification. By evaluating on the Bridge2AI-Voice dataset for fine-grained staging of AD and PD, we observe that NeurMLLM achieves strong performance, consistently outperforming classical machine learning methods and existing LLM-based approaches. The results show the high potential of multimodal LLMs in neurodegenerative disease staging, improving staging accuracy and supporting accessible deployment.

18.
arXiv (CS.AI) 2026-06-25

CausalRAG2: Hierarchical Causal Knowledge Graph Design for RAG

arXiv:2602.05143v2 Announce Type: replace Abstract: Retrieval augmented generation (RAG) has enhanced large language models by enabling access to external knowledge, with graph-based RAG emerging as a powerful paradigm for structured retrieval and reasoning. However, existing graph-based methods often over-rely on entity-centric node matching and lack explicit causal modeling, leading to unfaithful or spurious answers. Prior attempts to incorporate causality are typically limited to local or single-document contexts and also suffer from information isolation that arises from modular graph structures, which hinders scalability and cross-module causal reasoning. To address these challenges, we propose CausalRAG2, a framework that rethinks knowledge organization for graph-based RAG through causal gating across hierarchical modules. CausalRAG2 explicitly models causal relationships to suppress spurious correlations while enabling scalable reasoning over large-scale knowledge graphs. We also introduce HolisQA, a benchmark for holistic comprehension beyond entity-centric matching. Extensive experiments demonstrate that CausalRAG2 consistently outperforms competitive graph-based RAG baselines across multiple datasets and evaluation metrics. Our work establishes a principled foundation for structured, scalable, and causally grounded RAG systems. Our code and HolisQA benchmark are available at https://github.com/Pwnb/CausalRAG2.

19.
arXiv (CS.AI) 2026-06-17

Physics-Informed Attention Mechanism and Generalization Capability of Deep Learning-Based Grain Growth Evolution Prediction

arXiv:2606.17235v1 Announce Type: cross Abstract: Machine Learning (ML) models for grain growth prediction are typically trained on idealized synthetic data, yet practical applications require generalization to conditions outside the training distribution. This study evaluated the Out-Of-Distribution (OOD) generalization capability of the trained model from our previous study across three test cases, including experimental microstructures, microstructures characterized by a bimodal grain size distribution, and abnormal grain growth. To further probe whether physics-informed architectural design could improve robustness under these different conditions, a boundary-masked attention mechanism was proposed specifically for grain growth, constraining attention to grain boundary pixels. Both the baseline and the proposed physics-informed attention model were evaluated without retraining or fine-tuning on the OOD data. Both models successfully generalized to all three test cases, yet the boundary-masked attention mechanism provided substantial improvements, with the most notable gains for microstructures characterized by a bimodal grain size distribution, where Structural Similarity Index Measure (SSIM) improved from \num{0.6221} to \num{0.7609} and mean grain size ($\overline{R}$) error decreased from \operatorname{SI}{8.75}{\percent} to \operatorname{SI}{3.57}{\percent}. The attention heatmap analysis revealed that the boundary-masked attention model learned to concentrate attention on large grain boundaries in a manner consistent with curvature-driven grain growth physics, emerging from training without being explicitly encoded into the architecture. These results indicate that models trained on synthetic data can generalize to diverse OOD conditions without retraining, and that physics-informed attention may improve accuracy when the boundary morphology matches the training domain.

20.
bioRxiv (Bioinfo) 2026-06-11

Amylo-Pipe: an integrated web server for mechanistic and kinetic prediction of protein and peptide aggregation

Protein aggregation is central to amyloid-related disorders and remains a major developability challenge for protein therapeutics. Over the past two decades, significant advances have been made to predict aggregation-prone regions (APRs) and estimate aggregation propensity in proteins and peptides. In contrast, the prediction of aggregation kinetics has received relatively less attention due to the limited availability and heterogeneity of experimental data. Consequently, aggregation propensities from APR prediction algorithms were widely accepted as a means to predict relative changes in the aggregation kinetics of proteins and mutants. Previous studies have demonstrated, using large-scale datasets, that aggregation propensity shows a weak or inconsistent correlation with aggregation kinetics. In the present study, we have integrated complementary state-of-the-art mechanistic and kinetic prediction tools for protein aggregation into a unified, user-friendly web framework entitled "Amylo-Pipe". Amylo-Pipe also implements practical features that are especially useful for protein engineering, such as gatekeeper-residue mutational scanning to support the design of aggregation-resistant variants. By consolidating multiple prediction tasks in a single interface, Amylo-Pipe enables a more comprehensive assessment of aggregation behavior than APR-only workflows. The web server is freely accessible at: https://web.iitm.ac.in/bioinfo2/amylopipe/.

21.
arXiv (quant-ph) 2026-06-25

Preparing two-mode magnonic Schrödinger cat states in a cavity-magnon-qubit system

arXiv:2606.25511v1 Announce Type: new Abstract: The cavity-magnon-qubit system has recently been demonstrated as a new platform for preparing macroscopic quantum states in magnonic systems. Here, we propose to prepare a two-mode magnonic cat state, which is also a non-Gaussian entangled state, based on this practical system involving two yttrium-iron-garnet (YIG) spheres and a superconducting qubit coupled to a common microwave cavity. By adiabatically eliminating the cavity and resonantly driving the qubit, an effective magnon-qubit conditional-displacement interaction is achieved. Further working in the magnon-magnon strong-coupling regime and considering two identical magnon frequencies and coupling strengths to the cavity, two hybridized magnon modes are formed, of which the bright mode is prepared in a cat state after a projective measurement on the qubit, while the dark mode remains in its initial vacuum state. Such a state corresponds to a two-mode cat state of two original magnon modes, which share strong non-Gaussian entanglement. We also discuss practical dissipation and dephasing effects on the cat state. The results indicate that strong nonclassicality and non-Gaussian entanglement are present in the two-mode cat state using fully feasible parameters.

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

Approximate Structured Diffusion for Sequence Labelling

Sequence labelling, a core task of Natural Language Processing (NLP), consists in assigning each token of an input sentence a label. From a Machine Learning point of view, sequence labelling is often cast as a Linear-Chain Conditional Random Field (CRF) parametrised by a neural network. While this approach gives good empirical results, CRFs assume a finite decision span (eg label bigrams) which can limit their expressivity and hurt performance when long-range dependencies are required. We show we can leverage diffusion to train a CRF conditioned on an entire label sequence, with the caveat that the condition is on a noisy version of labels. We show experimentally that this method, in conjunction with approximate CRF inference, improves label accuracy with a 16.5% error reduction for POS-tagging.

23.
arXiv (CS.CV) 2026-06-25

Streaming-dLLM: Accelerating Diffusion LLMs via Suffix Pruning and Dynamic Decoding

Diffusion Large Language Models (dLLMs) offer a compelling paradigm for natural language generation, leveraging parallel decoding and bidirectional attention to achieve superior global coherence compared to autoregressive models. While recent works have accelerated inference via KV cache reuse or heuristic decoding, they overlook the intrinsic inefficiencies within the block-wise diffusion process. Specifically, they suffer from spatial redundancy by modeling informative-sparse suffix regions uniformly and temporal inefficiency by applying fixed denoising schedules across all the decoding process. To address this, we propose Streaming-dLLM, a training-free framework that streamlines inference across both spatial and temporal dimensions. Spatially, we introduce attenuation guided suffix modeling to approximate the full context by pruning redundant mask tokens. Temporally, we employ a dynamic confidence aware strategy with an early exit mechanism, allowing the model to skip unnecessary iterations for converged tokens. Extensive experiments show that Streaming-dLLM achieves up to 68.2X speedup while maintaining generation quality, highlighting its effectiveness in diffusion decoding. The code is available at https://github.com/xiaoshideta/Streaming-dLLM.

24.
arXiv (CS.LG) 2026-06-17

Operator Boosting Produces Pareto-Efficient PDE Surrogates

arXiv:2606.17460v1 Announce Type: new Abstract: Neural operators are widely used as surrogate solution maps for partial differential equations (PDEs), but full-size models can be costly to store, deploy, and evaluate in many-query scientific workflows. This work introduces Operator Boosting, a stagewise residual-learning framework for constructing compact neural-operator surrogates directly, rather than training a large model and compressing it afterward. Starting from the empirical mean predictor in normalized output coordinates, the method trains a sequence of tiny same-family neural operators on residual fields and incorporates each correction through validation-selected shrinkage. We instantiate the framework with Fourier neural operators (FNOs), DeepONets, and convolutional neural operators (CNOs), and compare boosted tiny stacks against full-size monolithic baselines across one-, two-, and three-dimensional PDE benchmarks from PDEBench, APEBench, and The Well. Across 30 dataset-architecture pairs, 21 show positive mean accuracy gains and 17 have positive confidence intervals, while all boosted stacks reduce trainable parameter count by approximately 72-95%. Best-model comparisons show empirical Pareto improvements on 7 of 10 completed PDE benchmarks, including two-dimensional Navier-Stokes, shallow-water dynamics, Darcy flow, one-dimensional transport and reaction systems, and three-dimensional compressible Navier-Stokes. These results show that Operator Boosting often improves the empirical accuracy-parameter Pareto frontier of neural PDE surrogates, while also exposing PDE- and architecture-dependent regimes where residual boosting fails to offset compression.

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

Signed Compression Progress on a Sealed Audit is Goodhart-Resistant

arXiv:2606.11417v1 Announce Type: cross Abstract: Compression progress is a long-standing proposal for intrinsic motivation: reward an agent when its world model becomes better at predicting or compressing experience. The folk claim is that this reward is "credible" because it is paid only for learning. We make this precise and prove it. If intrinsic reward is the signed decrease of a fixed sealed-audit loss, r_t = E(theta_{t-1}) - E(theta_t), then cumulative reward telescopes exactly to endpoint audit improvement, so no policy can push reward up indefinitely while true audit performance stagnates or degrades. For finite audit panels the same result holds with a sharp false-positive budget: cumulative empirical reward is at most true audit improvement plus 2 Delta_n(F, delta), the uniform audit deviation of the model class. This is horizon-free: adaptivity over time costs nothing once the sealed panel uniformly controls the class. The theorem also identifies the failure modes: the guarantee disappears if progress is clipped, scored on the agent's own stream, exposed to a high-capacity model on a reusable panel, or applied to a neural class that makes Delta_n vacuous. We give a Lean 4 mechanization of the structural core (telescoping, the finite-audit bound, finite Gibbs, and the entropy floor) and an experiment suite on ARC-TGI grid-transformation generators with adaptive holdout attacks. Experiments confirm the theory: finite-audit deviation scales as n^{-0.527}; signed progress resists clip-farming, stream leakage, and noisy-TV curiosity; naive reusable audits are exploitable by black-box scalar feedback, while standard release defenses keep the attack below the 2 Delta_n threshold. Signed compression progress on a sealed audit is an accounting signal of genuine improvement.