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01.
arXiv (CS.CV) 2026-06-15

Spectrum Aware Illumination Estimation Using Multispectral Image

Multispectral (MS) imaging extends beyond conventional RGB imaging by capturing more spectral bands, thereby improving illuminant spectrum estimation (ISE). However, existing methods often fail to fully exploit spectral information, resulting in suboptimal performance under diverse lighting conditions and across different sensor domains. Hence, we propose a deep learning framework with a spatio-spectral feature extraction block, which incorporates spectral attention mechanisms to enhance spectral correlation and preserve illuminant-relevant spatial features. Through the inclusion of an illuminant prior (IP), our approach prioritizes specific channels that provide more meaningful information in an MS image. We also propose a spectral-domain transform across different MS sensor spaces. The results demonstrate that illuminant spectra learned in high-dimensional sensor spaces can be effectively transformed to various lower-dimensional camera sensor spaces without any additional training. To facilitate evaluation, we introduce a real-world MS dataset containing high-dimensional ground-truth illumination spectra captured under diverse lighting conditions. Through extensive experiments, we demonstrate that our method achieves superior accuracy compared to existing models, thus providing a practical solution for real-world ISE. The code and dataset are available at https://github.com/hyejin5/Spectrum-Aware-Illumination-Estimation-Using-Multispectral-Image.

02.
arXiv (CS.LG) 2026-06-15

Zero-shot generalization of transformer neural operators to larger domains

arXiv:2606.14597v1 Announce Type: new Abstract: Transformer-based neural operators have shown remarkable performance for approximating solution operators of partial differential equations on complex geometries. However, existing approaches implicitly assume a fixed domain size, which limits their ability to generalize at inference. In this work, we investigate domain extension, namely zero-shot inference on spatial domains that are significantly larger than those encountered during training. We argue that this setting fundamentally requires spatial locality and translation equivariance. We propose to implement this locality via a decomposable bias in the attention logits computation, enabling finely controllable locality while remaining fully decomposable into query-key inner products and directly compatible with optimized attention kernels. Combined with rotary positional embeddings, it enables expressive embeddings with controllable spatial support without altering the transformer architecture. We empirically show that our approach substantially improves zero-shot generalization to larger domains across two PDE benchmarks and a 3D industrial atmospheric flow application. Our code and datasets are available at https://github.com/cerea-daml/domain-extension.

03.
arXiv (CS.LG) 2026-06-12

Hierarchical Successor Representation for Robust Transfer

arXiv:2602.12753v2 Announce Type: replace Abstract: The successor representation (SR) provides a powerful framework for decoupling predictive dynamics from rewards, enabling rapid generalisation across reward configurations. However, the classical SR is limited by its inherent policy dependence: policies change due to ongoing learning, environmental non-stationarities, and changes in task demands, making established predictive representations obsolete. Furthermore, in topologically complex environments, SRs suffer from spectral diffusion, leading to dense and overlapping features that scale poorly. Here we propose the Hierarchical Successor Representation (HSR) for overcoming these limitations. By incorporating temporal abstractions into the construction of predictive representations, HSR learns stable state features which are robust to task-induced policy changes. Applying non-negative matrix factorisation (NMF) to the HSR yields a sparse, low-rank state representation that facilitates highly sample-efficient transfer to novel tasks in multi-compartmental environments. Further analysis reveals that HSR-NMF discovers interpretable topological structures, providing a policy-agnostic hierarchical map that effectively bridges model-free optimality and model-based flexibility. Beyond providing a useful basis for task-transfer, we show that HSR's temporally extended predictive structure can also be leveraged to drive efficient exploration, effectively scaling to large, procedurally generated environments.

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

$\mu$VLA: On Recurrent Memory for Partially Observable Manipulation in VLA Models

arXiv:2606.12497v1 Announce Type: new Abstract: Vision-language-action (VLA) models predict chunks of future actions from the current observation, an assumption that fails under partial observability, where decisions depend on information no longer visible. Existing memory-augmented VLAs simultaneously introduce recurrence, retrieval, compression modules, auxiliary objectives, hierarchical memory, or task-specific architectural changes, so the contribution of recurrence itself remains entangled with surrounding machinery. We present a controlled isolation study of recurrence in a strong pretrained VLA backbone. Our formulation augments the transformer with a small set of learnable memory tokens carried across timesteps and updated through self-attention, trained end to end with truncated backpropagation through time, with no auxiliary losses and no architectural changes. We instantiate this as $\mu$VLA, a family of OpenVLA-OFT variants parameterized by memory width m, TBPTT length K, and the memory update rule (cross-step gradients or a detached EMA), so that recurrence is the only varying factor. On MIKASA-Robo, $\mu$VLA improves average success rate on five training tasks from 0.42 to 0.84 at the strongest setting and reaches 0.23 on held-out tasks with the same memory structure versus 0.07 for the memoryless baseline. On tasks requiring different memory structure, performance remains near baseline. On LIBERO, the strongest recurrent variant achieves 96.2% average success, indicating no regression under full observability. We interpret these results as a calibration of the capability envelope of minimal in-backbone recurrence, identifying the regime in which it is sufficient and the regime where additional memory structure is required. Demos and videos can be found in https://avanturist322.github.io/mu-vla/.

05.
arXiv (CS.CV) 2026-06-25

TTSA3R: Training-Free Temporal-Spatial Adaptive Persistent State for Streaming 3D Reconstruction

Streaming recurrent models enable efficient 3D reconstruction by maintaining persistent state representations. However, they suffer from catastrophic forgetting over long sequences due to balancing historical information with new observations. Recent methods alleviate this by deriving adaptive signals from the attention perspective, but they operate on single dimensions without considering temporal and spatial consistency. To this end, we propose a training-free framework termed TTSA3R that leverages both temporal state evolution and spatial observation quality for adaptive state updates in 3D reconstruction. In particular, we devise a Temporal Adaptive Update Module that regulates update magnitude by analyzing temporal state evolution patterns. Then, a Spatial Contextual Update Module is introduced to localize spatial regions that require updates through observation-state alignment and scene dynamics. These complementary signals are finally fused to determine the state updating strategies. Extensive experiments show that TTSA3R achieves competitive performance on standard short-sequence benchmarks and provides substantially stronger robustness on extended sequences. On NRGBD, as sequences extend from 50 to 250 frames, TTSA3R exhibits only a 1.33x error increase, compared with over 4x degradation for CUT3R. This highlights the practical value of temporal-spatial adaptive updates for long-term reconstruction stability. Our code is available at https://github.com/anonus2357/ttsa3r.

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

Robust $Q$-learning for mean-field control under Wasserstein uncertainty in common noise

arXiv:2606.20356v1 Announce Type: cross Abstract: In this article, we present a robust $Q$-learning algorithm for discrete-time mean-field control problems under Wasserstein uncertainty in the common noise law. The algorithm combines a quantization-and-projection scheme with a Wasserstein dual reformulation on the common-noise space. We establish its convergence together with finite-time iteration bounds for both synchronous and asynchronous learning schemes. Numerical experiments on systemic risk and epidemic models compare the asynchronous implementation with an idealized Bellman iteration, illustrate the robustness-performance tradeoff under common-noise misspecification, and report the observed convergence behavior of the asynchronous $Q$-learning algorithm.

07.
arXiv (CS.CL) 2026-06-25

Why Do Accumulated Transformations Extrapolate?

PaTH Attention showed that replacing RoPE's position-indexed rotations with accumulated data-dependent Householder reflections yields strong length extrapolation, though performance degrades at extreme context lengths. We ask whether this depends on Householder-specific structure or reflects a general property of accumulated transformations along source-to-query paths. We study a simpler variant keeping RoPE's block-diagonal SO(2) rotations but replacing position-indexed angles with accumulated token-dependent ones. It shows the same pattern: improved extrapolation then degradation at long contexts. We prove the result extends to accumulated orthogonal transformations satisfying certain regularity conditions: their products become incoherent after finitely many steps, suppressing attention to distant tokens. Accumulated rotations of queries and keys create a finite mixing window independent of context length; per-token suppression learned in training transfers unchanged to any evaluation length, and high-dimensional concentration produces a score gap suppressing far tokens while near-route transport preserves the target signal. Conversely, a lower bound shows accumulated rotations must eventually degrade: as the far set grows, no rotations preserve the near signal without explicit far-mass control. For SO(2) rotations, rotating values too makes residual far contributions combine incoherently, extending the range. Controlled experiments support these predictions: random accumulated rotations substantially improve extrapolation over RoPE, learned token-dependent rotations maintain near-training-length perplexity far beyond the training context, and rotating values helps over queries and keys alone. Rotation-only models still degrade at extreme lengths, while ALiBi stays length-stable, consistent with the need for far-mass control.

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

GIST-CMTF: Goal-State Inference for Causal Minimal Tool Filtering in LLM Agents

arXiv:2606.16813v1 Announce Type: new Abstract: Tool-augmented LLM agents rely on runtime filtering to decide which tools should be visible at each step. Causal Minimal Tool Filtering (CMTF) reduces tool-choice confusion by exposing only the next causally necessary tool frontier, but it assumes that the user request has already been mapped to a symbolic goal state. In practice, requests such as "handle my appointment" or "take care of this email" may correspond to multiple possible goals. This creates wrong-goal execution, where an agent follows a valid causal tool path for an unintended objective. We introduce GIST-CMTF, a goal-state inference layer that predicts candidate symbolic goals over the same state-transition vocabulary used by CMTF, estimates ambiguity, and either applies CMTF or exposes clarification as a causal action that produces missing goal or state variables. We evaluate GIST-CMTF across seven model backends, six filtering methods, and 120 controlled tool-use tasks. GIST-CMTF achieves 97.0% task success, compared with 80.1% for top-goal CMTF and 82.9% for semantic-goal CMTF. It reduces wrong-goal execution from 19.4% under top-goal CMTF to 2.5%, while preserving the one-tool exposure of causal filtering and using substantially fewer tokens than all-tools exposure. These results suggest that reliable tool-augmented agents should validate goal state, not only tool relevance, before exposing external actions.

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

Graph Grounded Cross Attention Transformer Neural Network for Structurally Constrained Full Event Sequence Generation in Predictive Process Monitoring

arXiv:2606.18726v1 Announce Type: cross Abstract: Structurally constrained event sequence generation remains challenging because generated paths must preserve transition feasibility, temporal order, termination, and attribute consistency. In predictive process monitoring (PPM), this challenge appears as full event sequence generation, whereas existing work mainly addresses component tasks such as next activity, remaining time, outcome, and attribute prediction. This paper proposes the Graph Grounded Cross Attention Transformer Neural Network (GGATN) for this unified PPM task. GGATN uses a global process graph as structured activity memory, contextualizes sequence positions through Transformer self attention, and injects process topology through graph grounded cross attention. Unlike autoregressive decoding, GGATN generates activities, timestamps, length, and event level and sequence level attributes in a single pass, followed by Viterbi style graph constrained decoding for feasible paths and explicit termination. Experiments on six benchmark event logs show more reliable generation quality than local instruction prompted LLM baselines. GGATN achieves strong performance on sequence similarity, Damerau Levenshtein similarity, bigram based control flow similarity, and duration distribution, while maintaining zero hallucinated activities and zero sequence level attribute inconsistency. Ablation analyses confirm the global graph encoder as a stable structural prior. Interpretability analyses show how graph structure, sequence context, feedback refinement, and constrained decoding shape generation.

10.
arXiv (CS.CV) 2026-06-25

How Robust is OCR-Reasoning? Evaluating OCR-Reasoning Robustness of Vision-Language Models under Visual Perturbations

Vision-language models (VLMs) have achieved strong performance on OCR-based benchmarks and increasingly focused on text-rich understanding, but their robustness under controlled visual degradation remains insufficiently understood. This gap is critical for OCR reasoning, where visual corruption can induce OCR errors and structural distortions, thereby introducing uncertainty into the reasoning task. To systematically study this problem, we introduce OCR-Robust, a benchmark designed for evaluating OCR reasoning robustness under visual perturbations. It contains 812 samples across two complementary subsets: OCR1.0, covering documents, scene text, receipts, handwriting, and mathematical content, and OCR2.0, focusing on charts, geometry diagrams, and tables. To enable efficient yet informative evaluation, we conduct a pilot study over 18 candidate perturbations and select 5 representative types at 3 severity levels each based on their impact and cross-model discriminability. We evaluate robustness using clean accuracy, Relative Corruption Retention (RCR), Worst-Case Retention (WCR), and a composite Corruption Robustness Index (CRI), and benchmark 18 models spanning proprietary systems, open-source VLMs, and OCR+LLM pipelines. Our results show that higher clean accuracy does not necessarily imply stronger robustness, and that models can suffer pronounced degradation in the worst case on OCR tasks that are sensitive to structure, and charts and tables are substantially more fragile than document-like inputs under perturbation.

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

Physics-Driven Zero-Shot MRI Reconstruction with Non-local Image Priors

Zero-Shot Self-Supervised Learning (ZS-SSL) has emerged as a promising paradigm for accelerated Magnetic Resonance Imaging (MRI) reconstruction, eliminating the reliance on fully-sampled external datasets. However, learning solely from a single under-sampled scan suffers from supervision scarcity and optimization instability, often leading to overfitting or artifacts. To address these challenges, we propose a robust physics-driven ZS-SSL framework that synergizes physical consistency with image-domain non-local priors. Our method introduces three core innovations: (1) a Coil Sensitivity Map (CSM)-Guided Dynamic Repository, which stabilizes the training trajectory by filtering physically inconsistent artifacts based on coil sensitivity constraints; (2) a SPIRiT-based regularization, which enforces k-space self-consistency via a learned correlation kernel and stochastic masking; (3) a Non-Local Self-Similarity (NSS) Pixel Bank, which leverages the high-fidelity reference established by the former modules to explicitly mine non-local anatomical similarities, thereby augmenting supervision in the image domain. Extensive experiments on the FastMRI dataset demonstrate that our approach achieves state-of-the-art performance, particularly under high acceleration factors, effectively bridging the gap between zero-shot learning and supervised methods. The code is available at https://github.com/Zolento/NS-SSL.

12.
arXiv (quant-ph) 2026-06-25

Construction of new type of CNOT gate using cross-resonance pulse in the transmon-PPQ system

arXiv:2501.15218v3 Announce Type: replace Abstract: The transmon, known for its fast operation time and the coherence time of tens of microseconds, is the most commonly used qubit for superconducting quantum processors. However, it is still necessary to enhance the coherence time and the gate fidelity of superconducting quantum processors for the practical implementation of fault-tolerant quantum computing. Meanwhile, a novel superconducting qubit, which has the ability to protect the Cooper-pair parity on the superconducting island, has been proposed. This new qubit shows better coherence performance than the transmon, but it does not yet have an efficient method for realizing a superconducting hybrid system that harnesses it. In this work, we show how to implement a new type of CNOT gate in a superconducting hybrid system composed of tunable transmon and parity-protected qubit by applying a cross-resonance pulse. First, we provide hardware specifications and pulse parameters to construct a successful two-qubit gate in the hybrid system. Second, we show that our method can supply a CNOT gate of average fidelity with more than 0.998. Therefore, our work implies that the hybrid system may provide a new platform for quantum computers.

13.
arXiv (CS.CV) 2026-06-17

WeaveLA: Event Driven Cross-Subtask Latent Memory Weaving for Repetitive Robot Manipulation

Vision-Language-Action (VLA) policies have achieved remarkable single-step manipulation, yet they remain brittle precisely where each stage depends on what was just completed. The core issue is structural: short-window VLAs lack an explicit channel for rouxting information across sub-task boundaries, and existing memory-augmented variants either write at every frame, retrieve from demonstration-time stages, or fire at sub-goal events without performing an explicit sub-task-to-sub-task hand-off into the action expert. We identify the sub-goal completion event as the natural temporal unit for cross-subtask memory hand-off, and present WeaveLA (Weave Latent memory for Vision-Language-Action policies), a cross-subtask memory interface that, on top of a frozen VLA backbone, compresses each completed segment into latent tokens via query-driven attention pooling and routes them directly into the action-generation path of the next sub-task. This event-triggered, action-side design preserves the base policy's short-window interface while adding a lightweight cross-subtask channel. Through stratified evaluation on RoboMME with a $\pi_{0.5}$ backbone, WeaveLA's gains land exactly where the channel is needed: on the hardest repetition slice (SwingXtimes, $N{=}3$), success rises from $0\%$ to $47.8\%$, while single-execution episodes remain unchanged. Per-episode paired analysis confirms the gains are confined to tasks whose causal structure requires cross-subtask information.

14.
bioRxiv (Bioinfo) 2026-06-16

Accelerating String Comparison in RLZ Compressed Sequences via LCE Jumps

Relative Lempel-Ziv (RLZ) is an effective compression method for large, repetitive collections; however, the fundamental primitives required to elevate it from a passive archival format to a tractable representation for compressed construction have yet to be fully established. In this paper, we introduce an algorithmic framework for structurally comparing and lexicographically sorting sequences of RLZ factors. We characterize when direct factor comparisons are necessary and when they can be bypassed using RLZ specific shortcuts. We further introduce a method for extending truncated factors into right-maximal matches, enabling the recovery of matching statistics from the RLZ parse. Experimentally, RLZ sorting achieved speedups of up to 3.93x over character-based sorting. Together, these results advance the use of the RLZ format as a foundation for compressed construction.

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

FreqKD: Frequency-Decoupled Cross-Modal Knowledge Distillation for Infrared Object Detection

Transfer learning from large-scale RGB foundation models to infrared (IR) imagery through knowledge distillation (KD) remains challenging due to fundamental differences in image formation physics. We investigate the spectral structure of the RGB–IR modality gap and observe that feature divergence is not uniform across spatial frequencies: low-frequency components (shape, layout) show greater cross-modal alignment than high-frequency components (texture, fine edges), which reflect modality-specific characteristics. Based on this analysis, we propose FreqKD, a frequency-decoupled distillation framework that applies asymmetric supervision adapted to each band's cross-modal consistency. The method employs strict mean squared error (MSE) on the low-frequency band to preserve shared structural information and a relaxed log-MSE loss (weighted at 0.1) on the high-frequency band to provide edge guidance while tolerating texture differences. Spectral divergence analysis on 500 paired samples shows that high-frequency divergence exceeds low-frequency divergence by a factor of 2.4x on average across all analysed transformer layers. On KAIST multispectral pedestrian detection, FreqKD achieves 64.1 mAP50, improving 2.4 points over the DINOv2 baseline. The learned representation transfers across datasets (FLIR ADAS, +2.1 mAP50), tasks (MFNet segmentation, +1.85 mean intersection-over-union), and architectures (ResNet-50, +1.0 mAP50). Code is available at: https://anonymous.4open.science/r/freq_decoupled_kd-5E5A

16.
arXiv (math.PR) 2026-06-25

On a remark of de Gennes concerning three-dimensional polyelectrolytes

arXiv:2604.08389v2 Announce Type: replace Abstract: This work is inspired by a remark of de Gennes about polyelectrolytes, which are charged polymers. A common model for a polymer is a self-avoiding or self-repelling random walk or Brownian motion. For polyelectrolytes, the repelling potential is the Coulomb potential arising from pairs of charged particles. We show that in the continuous case of Brownian motion in three dimensions, the spread of the polymer, in particular the the radius of gyration of a polyelectrolyte of length $T$ grows linearly with $T$, up to logarithmic corrections.

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

Beyond Trajectory Imitation: Strategy-Guided Policy Optimization for LLM Reasoning

arXiv:2606.24064v1 Announce Type: new Abstract: Distilling reasoning capabilities from strong to weak language models typically involves imitating specific solution trajectories, effectively transferring what to answer rather than how to reason. This trajectory-level imitation encourages memorization of instance-specific steps rather than acquisition of transferable problem-solving skills, limiting generalization to novel problems. We propose Strategy-Guided Policy Optimization (SGPO), which replaces instance-level trajectory imitation with reusable strategy distillation. SGPO extracts structured strategy descriptions from strong-model responses and, for each problem, constructs both autonomous and strategy-guided trajectories to enable direct comparison of the model's behavior with and without strategic guidance. The framework then addresses two key questions. For how to distill, a token-level forward-KL objective selectively transfers the distributional shift induced by strategy conditioning into the unguided policy, with proximal constraints ensuring stability. For when to distill, adaptive instance-level weighting strengthens guidance when autonomous exploration falls short and reduces it as the model's own competence grows. Experiments on four mathematical benchmarks across two model families show that SGPO consistently outperforms SFT, on-policy RL, and hybrid-policy baselines, improving the average score by 2.2 points over the strongest baseline on Qwen2.5-7B-Instruct. Analysis reveals that the forward-KL objective provides an inherently selective distillation signal that outperforms direct trajectory imitation, and that strategy distillation exhibits complementary scaling with base model capability.

18.
medRxiv (Medicine) 2026-06-11

Hantavirus Disease in Uruguay: Trends and Mortality Before and During the COVID-19 Pandemic.

Introduction: Hantavirus disease is an emerging and potentially severe zoonosis of global distribution. In Uruguay, it is transmitted by rodents inhabiting peridomestic, suburban, and rural areas. Global incidence is estimated at 150,000 to 200,000 cases per year, with up to 300 annual cases in the Americas. Since 1997, Uruguay's Ministry of Public Health (MPH) has monitored Hantavirus cardiopulmonary syndrome (HCPS), the most common clinical presentation in the region. By 2019, a total of 271 cases had been identified in the country, with an estimated mortality rate of nearly 50%. Objectives: To describe the clinical, epidemiological, and occupational characteristics of patients with Hantavirus disease in Uruguay during the pre-pandemic (2018-2019) and pandemic (2020-2021) periods. Methods: A descriptive, cross-sectional, observational study was conducted, including all serologically confirmed cases of Hantavirus infection reported to the MPH between 2018 and 2021. Clinical and demographic data were extracted from the mandatory reporting form for zoonotic diseases. Incidence and case fatality rates were calculated, and factors associated with fatal outcomes were analyzed. Results: A total of 58 confirmed cases were identified between 2018 and 2021. Most patients were male (62%), with a mean age of 36.5 years (SD 16). A decline in incidence was observed during 2020-2021, with no significant change in case fatality. Direct rodent exposure was the most frequently associated risk factor. Montevideo and Canelones were the most affected departments. Renal and pulmonary involvement were significantly associated with mortality. Conclusion: Hantavirus remains a relevant public health concern in Uruguay. Although a decrease in incidence was observed during the COVID-19 pandemic years, case fatality rates remained high. The findings underscore the need for sustained surveillance and early recognition, particularly in urbanizing regions.

19.
arXiv (quant-ph) 2026-06-16

REGRID-QAOA: A Resource-Efficient Graph-Reduced Hybrid QAOA Framework for Physics-Constrained Power System Islanding

arXiv:2606.15083v1 Announce Type: new Abstract: Quantum computing has rapidly emerged as a powerful paradigm for tackling computationally demanding problems. In particular, quantum optimization shows strong promise for hard combinatorial problems in power systems, where increasing distributed energy penetration heightens the need for intentional islanding to maintain grid reliability and resilience. However, power system islanding is an NP-hard combinatorial optimization problem that becomes computationally prohibitive for classical solvers as network size grows, motivating the use of quantum computing as a promising alternative pipeline. This study develops a resource-efficient hybrid QAOA islanding framework that brings physics-constrained power-system partitioning into the quantum optimization workflow. The framework combines coherency-informed graph reduction, physics-aware constraint modeling, and structured post-processing to efficiently convert shallow-circuit QAOA samples into high-quality feasible islanding decisions without deep circuits or large shot budgets. The proposed framework is validated on the standard IEEE benchmark systems (9-, 14-, 24-, 30-, 39-, and 57-bus), demonstrating that the hybrid workflow achieves Gurobi-optimal solution quality with a clear quantum resource advantage over vanilla QAOA, while the resulting islanding solutions satisfy all physical feasibility requirements after network separation. This study establishes QAOA-based islanding as a viable quantum approach for critical infrastructure, with structured post-processing as the key enabler of quantum resource efficiency.

20.
bioRxiv (Bioinfo) 2026-06-20

Evaluation of Trypanosoma brucei Phosphofructokinase Allosteric Inhibition: An In-Silico Study

Human African trypanosomiasis, caused by a protozoan parasite Trypanosoma brucei, is a neglected tropical disease for which well-tolerated, conveniently administered, and highly efficacious medicines are still missing. Previously, T. brucei Phosphofructokinase was targeted by small-molecule inhibitor development efforts. This approach has shown promise both in vitro and in vivo. In this study, we have used these wet-lab results, evaluated the compounds already characterised by Molecular Dynamics simulations, found relationships between in silico and wet-lab data and used these observations to evaluate compounds that we selected through several different approaches of virtual screens. We observed that inhibitor-ATP interactions are highly predictive of the inhibitory activity. Several compounds selected through virtual screens have outperformed previously characterised compounds.

21.
arXiv (CS.LG) 2026-06-16

STAR-NT: Spatiotemporal Acceleration of Real-Time Neural Transparency Rendering

arXiv:2606.16747v1 Announce Type: cross Abstract: Neural order-independent transparency delivers high-quality rendering of overlapping transparent surfaces, but its geometry passes and network input generation remain costly, particularly on mobile and legacy hardware. We present a spatiotemporal acceleration framework that exploits spatial and temporal coherence to reduce this overhead while preserving visual quality. Spatially, we use adaptive quadtree-based screen-space subdivision to scale geometry pass resolution according to local color variance. Temporally, selected frames reuse the previous transparency result through depth-based reprojection instead of full rendering. Together, these optimizations reduce rendering cost and integrate efficiently into existing real-time rendering pipelines.

22.
arXiv (CS.AI) 2026-06-19

Confidence-Aware Automated Assessment of Student-Drawn Scientific Models

arXiv:2606.20264v1 Announce Type: new Abstract: Student-generated drawings are widely used in science education to assess learners' conceptual understanding in modeling-based tasks aligned with the Next Generation Science Standards (NGSS). However, scoring such drawings requires expert human judgment to interpret complex visual representations, making large-scale assessment costly to implement and sustain in classroom settings. In this work, we study automated scoring of student-generated scientific drawings using a vision-based model. We evaluate a Vision Transformer (ViT) with parameter-efficient adaptation and propose a confidence-aware scoring framework that derives response-level confidence from test-time predictive distributions. This confidence signal enables selective automation by scoring high-confidence responses automatically while deferring uncertain cases for human review. Experiments on six NGSS-aligned middle school assessment items show that the proposed approach improves scoring reliability while supporting a practical trade-off between automated coverage and scoring risk, highlighting the value of confidence-aware methods for trustworthy educational assessment.

23.
PLOS Computational Biology 2026-06-15

Fung-AI: An AI/ML-driven pipeline for antifungal peptide discovery

by Daniel S. Berman, Libby M. Lewis, Tom D. Curtis, Olivia N. Tiburzi, Daniel F. Q. Smith, Arturo Casadevall, Laura J. Dunphy Emerging fungal pathogens represent a concerning threat to both global health and food security. In this study, we aimed to address our rising vulnerability to fungal pathogens through the development of the Fung-AI pipeline: an AI/ML-driven approach for antifungal discovery. A generative adversarial network (GAN) was trained to generate novel candidate antifungal peptide sequences. Next, in silico antifungal and hemolytic classifiers were built to further prioritize AI-generated peptides for experimental validation. From a pool of ~10,000 candidates, thirteen peptides were selected for testing over two-stages of experimentation. Five peptides were found to display mild antifungal activity against the wheat pathogen, Fusarium graminearum, with minimal inhibitory concentrations (MICs) ranging from 250 µg/mL to 500 µg/mL. Four of the five peptides also showed activity against the human pathogen, Candida albicans (MIC: 500 µg/mL). Two of our AI-generated antifungal peptides additionally demonstrated low cytotoxicity in HepG2 human liver carcinoma cells (LC50 > 704.2 µg/mL) indicating that they may be useful as scaffolds for future optimization for therapeutic applications. None of our peptides were found to considerably inhibit the emerging pathogen C. auris, suggesting the need for pathogen-specific down-selection of candidate peptides. Overall, we present a proof-of-principle, generative-AI-based approach for the rapid design of de novo antifungal peptides.

24.
bioRxiv (Bioinfo) 2026-06-12

Computational Design of Optimal Sequences for Targeted Hypermutagenesis Using Recombination-Coupled Diversity-Generating Retroelements

Diversity-generating retroelements (DGRs) are natural systems that accelerate evolution via targeted hypermutation at adenines. We previously developed DGRec, a system combining DGRs and recombineering for programmable mutagenesis in Escherichia coli. We here address two important issues with DGRec: the dependence of mutagenesis efficiency on the dgrRNA secondary structure and the variability of the reverse-transcription biases with sequence context and position. First, we introduce and validate a method to recode non-functional templates, i.e. with low mutagenesis efficiency, into highly functional ones through synonymous mutations. Second, we develop a Long Short-Term Memory (LSTM) model to predict DGRec mutational profiles for any given template sequence. By integrating this LSTM model with our recoding method, we establish a comprehensive workflow for customized directed evolution, enabling researchers to precisely fine-tune DGRec in vivo mutagenesis to their engineering needs.

25.
arXiv (CS.AI) 2026-06-12

Understanding the Rejection of Fixes Generated by Agentic Pull Requests – Insights from the AIDev Dataset

arXiv:2606.13468v1 Announce Type: cross Abstract: AI coding agents are increasingly used to generate pull requests (PRs) that propose code fixes in software projects. From a first exploration of the AIDev dataset, we find that 46.41\% of the fixes proposed by the agents Copilot, Devin, Cursor, and Claude are rejected. This represents a significant amount of wasted resources that require human reviews, verifications, and running tests and validations for fixes that are merely discarded. Our goal in this paper is to understand the failure modes of AI-agents, an understanding that is crucial for better integrating AI-agents as efficient teammates. In this paper, we conduct a qualitative study on a representative sample of 306 non-merged pull requests created or co-authored by the agents mentioned earlier, followed by a quantitative analysis of the reasons for rejection. Our qualitative findings identify 14 reasons divided into four high-level categories for rejecting AI-agent fixes. We observe that developers can reject fixes due to fixes whose implementation is incorrect (e.g., incomplete, wrong approach), fixes that do not pass the continuous integration (CI) pipelines and fail tests, fixes for which the agent is unable to perform the implementation (e.g., no code generated, sessions lost), and fixes whose priority is low. Our results shed light on the importance of better guiding the model at these levels: (1) proposing hints about the approach to follow for fixing an issue, (2) outlining constraints or limitations regarding the approaches that should not be taken, and (3) instructing the agent on how to validate the implementation through CI pipelines and without introducing a breaking change. Our results suggest the need for good prioritization of tasks so that generated fixes do not lead to wasted human review efforts or wasted agent resources (e.g., tokens, compute, or allowed number of requests).