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01.
bioRxiv (Bioinfo) 2026-06-23

Learning interpretable structural similarity from tandem mass spectra for small molecule analog discovery

作者:
Piedrahita Giraldo↗J. S↗Da Silva↗K. M↗Zare Shahneh↗M. R↗Wang↗Laukens↗De Vijlder↗Bittremieux↗

Analog discovery remains a central bottleneck in mass spectrometry-based untargeted metabolomics, as conventional spectral similarity scores poorly reflect molecular structure. We introduce SIMBA, a transformer-based model that infers two interpretable graph-based distances, maximum common edge subgraph and substructure edit distance, directly from tandem mass spectra. SIMBA consistently retrieves structurally closer analogs than existing methods, enabling structure-aware small molecule identification beyond exact spectral matching.

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02.
arXiv (CS.LG) 2026-06-19

Weighted Bayesian Conformal Prediction

作者:
Xiayin Lou↗Peng Luo↗

arXiv:2604.06464v2 Announce Type: replace Abstract: Conformal prediction provides distribution-free prediction intervals with finite-sample coverage guarantees, and recent work by Snell \& Griffiths reframes it as Bayesian Quadrature (BQ-CP), yielding powerful data-conditional guarantees via Dirichlet posteriors over thresholds. However, BQ-CP fundamentally requires the i.i.d. assumption. Meanwhile, weighted conformal prediction handles distribution shift via importance weights but remains frequentist, producing only point-estimate thresholds. We propose Weighted Bayesian Conformal Prediction (WBCP), which generalizes BQ-CP to arbitrary importance-weighted settings by replacing the uniform Dirichlet $\Dir(1,\ldots,1)$ with a weighted Dirichlet $\Dir(\neff \cdot \tilde{w}_1, \ldots, \neff \cdot \tilde{w}_n)$, where $\neff$ is Kish's effective sample size. We prove four theoretical results: (1)~$\neff$ is the unique concentration parameter matching frequentist and Bayesian variances; (2)~posterior standard deviation decays as $O(1/\sqrt{\neff})$; (3)~BQ-CP's stochastic dominance guarantee extends to per-weight-profile data-conditional guarantees; (4)~the HPD threshold provides $O(1/\sqrt{\neff})$ improvement in conditional coverage. We instantiate WBCP for spatial prediction as Geographical BQ-CP, where kernel-based spatial weights yield per-location posteriors with interpretable diagnostics. Experiments on synthetic and real-world spatial datasets demonstrate that WBCP maintains coverage guarantees while providing substantially richer uncertainty information.

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03.
arXiv (CS.LG) 2026-06-24

New Bounds for the Last Iterate of the Stochastic subGradient Method

作者:
Guglielmo Beretta↗Tommaso Cesari↗Roberto Colomboni↗Andrea Paudice↗

arXiv:2606.24879v1 Announce Type: cross Abstract: We study the last iterate of the stochastic subgradient method for one-dimensional convex Lipschitz objectives. For a fixed horizon $n$, we consider the standard fixed stepsizes $\eta =\Theta(1/\sqrt n)$. We prove that, for such stepsize policies, under additive i.i.d. subgradient noise with uniformly bounded variance, the last iterate features an optimization error of order $1/\sqrt n$, thereby removing the extra $(\log n)$ factor present in existing generic bounds. On the other hand, we show that without the i.i.d. assumption, the optimization error can be of order $(\log n)/\sqrt n$. Thus, under the uniformly bounded variance assumption alone, the last iterate of SsGM is suboptimal even in dimension one, resolving negatively an open problem posed in Koren and Segal, COLT, 2020.

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

QC-SMOTE: Quality-Controlled SMOTE for Imbalanced Classification

作者:
Parth Upman↗Shreyank N Gowda↗

arXiv:2606.24625v1 Announce Type: new Abstract: Class imbalance poses a significant challenge in classification, where existing methods such as SMOTE often generate low-quality synthetic samples in regions with noise or class overlap. We propose QC-SMOTE, a quality-controlled oversampling framework that estimates minority sample reliability using a composite neighbourhood trustworthiness score combining local density, safe-level, and isolation from the majority class. Synthetic candidates are generated using an IPQ-guided best-of-K strategy that evaluates midpoint purity and, when required, majority clearance, with allocation guided by sample reliability and boundary informativeness. Generation behaviour adapts across overlap–imbalance regimes, adjusting interpolation range and selection criteria to match local data geometry. Low-quality synthetic samples are replaced with original minority duplicates when neighbourhood purity falls below an adaptive threshold, providing graceful degradation by reverting to duplication in severely noisy regions. Experiments on 30 imbalanced datasets using repeated stratified cross-validation show that QC-SMOTE achieves the strongest average AUC-ROC and Macro F1 among the compared oversampling methods, with particularly clear gains under moderate and severe imbalance. These results demonstrate the importance of quality-aware, geometry-adaptive synthetic sampling for robust imbalanced classification.

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05.
Science (Express) 2026-05-07

Induction of broadly neutralizing HIV antibodies by a two-step mechanism informs vaccine design | Science

作者: 未知作者

A major obstacle confronting HIV-1 vaccine and cure research is the lack of an outbred animal model for rapid and consistent induction of broadly neutralizing antibodies (bNAbs). We designed an epitope-focused simian-human immunodeficiency virus (SHIV.5MUT) that elicited broad and potent V3-glycan-targeted antibodies within a year of infection in 14 of 22 macaques compared with 0 of 14 control animals. SHIV.5MUT elicited bNAbs by a two-step mechanism, inducing an initial wave of V1-directed antibodies that selected for Envs with shortened, hypoglycosylated V1 loops, which in turn primed V3-glycan bNAb precursors. Rhesus bNAbs were immunogenetically and structurally diverse, closely resembling human V3-glycan bNAbs. Env-bNAb coevolution revealed a diverse repertoire of bNAb precursors and the Env variants that matured them, yielding a molecular blueprint for vaccine design.

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

C2-Faith: Benchmarking LLM Judges for Causal and Coverage Faithfulness in Chain-of-Thought Reasoning

作者:
Avni Mittal↗Rauno Arike↗

Large language models (LLMs) are increasingly used as judges of chain-of-thought (CoT) reasoning, yet it remains unclear whether they can reliably assess process faithfulness rather than merely answer plausibility. We introduce C2-Faith, a benchmark built from PRM800K that explicitly decomposes faithfulness into two complementary dimensions: causality (whether each step logically follows from prior context) and coverage (whether essential intermediate inferences are present). Using controlled perturbations, we construct examples with known causal error positions by replacing a single step with a logically inconsistent variant, and with controlled coverage deletions at varying rates, enabling direct measurement against reference labels. We evaluate three frontier LLM judges across three tasks: binary causal detection, causal step localization, and coverage scoring. Our results reveal that judge reliability is highly task-dependent, with no single model dominating across settings. While models often detect that an error exists, they struggle to accurately localize it, indicating a substantial gap between detection and attribution. Moreover, all judges systematically overestimate reasoning completeness, assigning high coverage scores even when substantial portions of intermediate reasoning are missing. These findings expose fundamental limitations of LLM judges in process-level evaluation and highlight the need for more reliable and calibrated methods when using LLMs to assess reasoning quality.

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07.
arXiv (CS.AI) 2026-06-16

StyleShield: Exposing the Fragility of AIGC Detectors through Continuous Controllable Style Transfer

作者:
Guantian Zheng↗

arXiv:2605.00924v2 Announce Type: replace-cross Abstract: AI-generated content (AIGC) detectors are increasingly deployed in high-stakes settings such as academic integrity screening, yet their reliability rests on a fundamental paradox: as language models are trained on human-written corpora, the statistical boundary between AI and human writing will inevitably dissolve as models improve. Commercial incentives have further distorted this landscape – detection services and "de-AIification" tools often operate within the same supply chain, replacing evaluation of content quality with judgment of content origin. We present StyleShield, the first flow matching framework for conditional text style transfer, operating directly in continuous token embedding space via a DiT backbone with zero-initialized cross-attention adapters conditioned on frozen Qwen-7B representations. At inference, we adapt the SDEdit paradigm from image synthesis to text embeddings, with a single parameter gamma providing smooth continuous control over the evasion-preservation trade-off. On a multi-domain Chinese benchmark, StyleShield achieves 94.6% evasion against the training detector and >=99% against three unseen detectors, maintaining 0.928 semantic similarity. We further introduce RateAudit, a document-level scheduling algorithm that demonstrates detection-rate verdicts can be set to arbitrary values, directly questioning the reliability of score-based evaluation.

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08.
arXiv (quant-ph) 2026-06-16

Optimal Toffoli-Depth Multi-Controlled Toffoli Decomposition in 2D Qubit Layout

作者:
Anik Basu Bhaumik↗Suman Dutta↗Anupam Chattopadhyay↗

arXiv:2606.15113v1 Announce Type: new Abstract: The multi-controlled Toffoli (MCT) gate is a key primitive in quantum arithmetic, oracle construction, and quantum cryptanalysis. Although recent work has established optimal Toffoli-depth MCT decompositions under all-to-all qubit connectivity, their realization on near-term quantum hardware with restricted qubit connectivity remains largely unexplored. While general-purpose quantum mappers can route arbitrary circuits, they do not explicitly exploit the repeated interaction patterns inherent in MCT decompositions. In our present paper, we study architecture-aware mappings of optimal Toffoli-depth MCT decompositions onto restricted two-dimensional qubit layouts. We begin with a structured geometric placements that preserve the parallelism of state-of-the-art Toffoli and MCT decompositions with no additional depth overhead. We further introduce a motif-based packing framework in which decomposition layers are represented by interaction motifs derived from basic Toffoli gates. By embedding these motifs vertex-disjointly into hardware graphs, we characterize the minimum-size topologies supporting the required qubit resources and derive explicit bounds on the resulting depth overhead under tight qubit budgets. Finally, we compare these bounds with routing-aware placement heuristics and empirically evaluate the effectiveness of embedding different motifs across a range of hardware topologies.

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09.
medRxiv (Medicine) 2026-06-18

Expert in Ultrasound Skills: Feasibility of an IMU-video platform to describe technical profiles during focused cardiac ultrasound. Pilot study

作者:
morales↗f. r↗Gonzalez↗S. R↗Osses↗M. F. S↗Hernandez↗B. L↗Ramirez↗D. A↗

Background: Focused cardiac ultrasound (FoCUS) is operator dependent and requires coordinated probe manipulation, image interpretation and iterative visual feedback. Existing assessment approaches often emphasize final image quality or expert rating. We developed Expert in Ultrasound Skills (EXUS) , a platform that synchronizes transducer-mounted inertial measurement unit (IMU) data with ultrasound video, and evaluated its technical feasibility during FoCUS acquisition. Methods: This observational pilot study included 6 operators performing two repetitions of a four-view FoCUS protocol, yielding 12 analytical sessions and 48 planned acquisitions. Feasibility was defined by acquisition completion, video availability, start/stop events, fused IMU-video windows, temporal coverage, complete human label entries and IMU integrity. A 100-image Likert rating task was used to summarize pairwise inter-rater agreement for still-frame image quality assessment. Results: All 48 planned acquisitions were completed with video, start/stop events, fused windows and complete human label entries. Temporal coverage was at least 90% in 47/48 acquisitions. IMU integrity endpoints exceeded the 80% threshold: 43/48 acquisitions had no extreme IMU-derived artifact, 43/48 had no active-segment IMU restart and 44/48 had no complete motion flatline. Mean pairwise exact agreement for the Likert task was 38.9%, with mean quadratic-weighted Cohen's kappa of 0.564. Post hoc profiles varied across duration, visual quality, mechanical load and motor efficiency. Conclusions: EXUS was technically feasible for synchronized IMU-video capture during FoCUS. The pilot supports multimodal acquisition data as a way to describe technical profiles and generate formative feedback hypotheses, but the post hoc indices are not validated competency measures. Keywords: focused cardiac ultrasound; point-of-care ultrasound; inertial measurement unit; medical education; deliberate practice

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

Retrospective Progress-Aware Self-Refinement for LLM Agent Training

作者:
Xinbei Ma↗Congmin Zheng↗Jiyang Qiu↗Jiale Hong↗Yao Yao↗Xiangmou Qu↗Jiaxin Yin↗Xingyu Lou↗Jun Wang↗Weiwen Liu↗Weinan Zhang↗Zhuosheng Zhang↗…

LLM-based agents trained with reinforcement learning optimize step-wise action prediction but lack metacognitive awareness of task progress, inducing a gap that hinders long-horizon scaling. A pilot study reveals that online progress prompting hurts performance while retrospective demonstrations help, yet this capability cannot emerge from outcome-reward training alone. We present RePro, Retrospective Progress-Aware Training, a framework that trains agents to self-generate progress signals via a forward-then-reflect rollout paradigm: the agent executes actions online, then retrospectively reassesses its step-wise progress given the completed trajectory and known outcome. RePro initializes with a Retrospection Warmup that teaches reflection format from minimal external demonstrations, then further trains through RePro-PO with a composite reward that produces self-generated signals without continuous external supervision. Experiments on WebShop, ALFWorld, and Sokoban show that RePro enhances the Qwen family's performance, with up to $12\%$ absolute success rate gains.

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11.
arXiv (CS.AI) 2026-06-17

Surrogate Assisted Pedestrian Protection Design via a Foundation Model Orchestrated Workflow

作者:
Osamu Ito↗Akihiko Katagiri↗Yoshikazu Nakagawa↗Shin Saeki↗Jun Shiraishi↗Masato Sasaki↗

arXiv:2606.17577v1 Announce Type: new Abstract: AI-driven engineering workflows face particular challenges in crash safety design: unlike aerodynamics, crash events involve highly nonlinear contact dynamics, material nonlinearity, and discrete state transitions that are difficult to capture with data-driven surrogate models. To the best of our knowledge, we present the first foundation model–orchestrated workflow for crash safety design that enables surrogate-assisted exploration for pedestrian protection, reducing evaluation time from hours per CAE simulation to seconds. The workflow integrates four components: (1) a surrogate trained on CAE crash simulations to predict pedestrian leg injury metrics from design parameters, achieving an average $R^2=0.87$ and providing distribution-free conformal prediction intervals; (2) multiobjective evolutionary search (NSGA-II) to discover diverse feasible parameter sets under user-specified constraints; (3) a morphing-based geometry generator that maps parameters to topology-preserving 3D shapes; and (4) a natural-language interface in which an LLM orchestrates the workflow and a vision–language model supports semantic comparison of generated designs. In an automotive front-bumper case study, the workflow produces 35 distinct safety-compliant alternatives from a single exploration, a process that would require weeks with conventional CAE iteration. These results suggest that foundation models can serve as integration layers between ML surrogates and physics-based simulation, helping bring AI capabilities to safety-critical engineering domains.

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

VISTA: Video Interaction Spatio-Temporal Analysis Benchmark

作者:
Alejandro Aparcedo↗Akash Kumar↗Aaryan Garg↗Dalton Pham↗Wen-Kai Chen↗Anirudh Bharadwaj↗Aman Chadha↗Yogesh Rawat↗

Existing benchmarks for Vision-Language Models (VLMs) primarily evaluate spatio-temporal understanding on simple single-action videos, closed attribute sets and restricted entity types, failing to capture the freeform, multi-action interactions between diverse entities which characterize real-world video understanding. Furthermore, the lack of a systematic framework for analyzing model failures across complementary spatio-temporal axes hinders comprehensive evaluation. To address these gaps, we introduce VISTA, a Video Interaction Spatio-Temporal Analysis benchmark designed for open-set, multi-entity and multi-action spatio-temporal understanding in VLMs. VISTA decomposes videos into interpretable entities, their associated actions, and relational dynamics, enabling multi-axis diagnostics and unified assessment of relational, spatial, and temporal understanding. Our benchmark integrates multiple datasets into a single interaction-aware taxonomy and comprises ~12K curated video-query pairs spanning diverse scenes and complexities. We systematically evaluate 11 state-of-the-art VLMs on VISTA, and break down aggregate performance across our taxonomy to reveal shortcomings and pronounced spatio-temporal biases obscured by traditional metrics. By providing detailed, taxonomy-driven diagnostics on a challenging dataset, VISTA offers a nuanced framework to guide advances in model design, pretraining strategies, and evaluation protocols. Overall, VISTA is the first, large-scale, interaction-aware diagnostic benchmark for spatio-temporal understanding in VLMs.

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14.
arXiv (quant-ph) 2026-06-24

Higher-Order Adiabatic Elimination in Atom-Cavity Systems and Its Impact on Spin-Squeezing Generation

作者:
Stefano Giaccari↗Giulia Dellea↗Marco G. Genoni↗Gianluca Bertaina↗

arXiv:2506.22383v4 Announce Type: replace Abstract: Spin-squeezed states are metrologically useful quantum states where entanglement allows for enhanced sensing with respect to the standard quantum limit. Key challenges include the efficient preparation of spin-squeezed states and the scalability of estimation precision with the number $N$ of probes. Recently, in the context of the generation of spin-squeezed states via coupling of three-level atoms to an optical cavity, it was shown that increasing the atom-cavity coupling can be detrimental to spin squeezing generation, an effect that is not captured by the standard second-order adiabatic cavity removal approximation. We describe adiabatic elimination techniques to derive an effective Lindblad master equation up to third order for the atomic degrees of freedom. Numerical simulations show that the spin squeezing scalability loss is correctly reproduced by the reduced open system dynamics, highlighting the role of higher-order contributions. Furthermore, we conjecture an extension beyond leading order of the adiabatic elimination technique to the case of conditional dynamics under quantum non-demolition continuous measurement and fast cavity loss, whose reliability is again confirmed by numerical simulation of the dynamics and the corresponding behavior of spin squeezing as a function of $N$.

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15.
arXiv (CS.AI) 2026-06-24

Page image classifier fine-tuned on century-spanning archives of scanned documents for further content-specific processing

作者:
Kateryna Lutsai↗Dana K\v{r}iv\'ankov\'a↗Pavel Stra\v{n}\'ak↗David Nov\'ak↗

arXiv:2606.07558v2 Announce Type: replace-cross Abstract: Purpose: Digitization projects in the humanities produce vast, heterogeneous archives of historical documents, making manual sorting impractical at scale. This work addresses the need for an automated system to classify scanned page images based on visual content type - text, tables, and graphics - enabling content-specific downstream processing such as Optical Character Recognition (OCR) or structured data extraction. Methods: An image classification system was developed and evaluated on a dataset of over 48,000 annotated historical page images from century-old Czech archaeological archives, refined through four successive annotation stages with domain-expert review. A Random Forest Classifier baseline was established using hand-crafted image features. Subsequently, deep learning architectures were fine-tuned and compared: Convolutional Neural Networks (EfficientNetV2, RegNetY), Vision and Document Image Transformers (ViT, DiT), and multimodal CLIP models. An 11-category label scheme was designed collaboratively with domain experts and evaluated via five-fold cross-validation. Results: The feature-based baseline achieved approximately 75% accuracy. Fine-tuned CNNs and Transformers substantially outperformed it, with RegNetY-16GF achieving 99.16% and ViT-large 99.12% Top-1 accuracy on the held-out test set. CLIP ViT-B/16 reached 99.14% with optimized text descriptions. Conclusion: Image-only models, particularly RegNetY-16GF, deliver near-perfect classification accuracy and produce consistent labels across 649,508 unlabeled archival pages with over 90% inter-model agreement. Fine-tuned CLIP, despite competitive test-set accuracy, showed under 65% agreement with image-only models on unlabeled data, making it less suitable for deployment. The final models, annotated dataset, and software are publicly available under open-source licenses.

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16.
arXiv (CS.AI) 2026-06-15

Adversarial Concept Search: Predicting Compositional Errors From Feature Geometry

作者:
Jennifer Meng Lu↗Ruochen Zhang↗Isabelle Lee↗David Alvarez-Melis↗Ellie Pavlick↗Naomi Saphra↗

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

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17.
arXiv (CS.CV) 2026-06-16

Lost at the End: Primacy Bias in Multimodal Retrieval-Augmented Question Answering

作者:
Jieyuan Liu↗Jianyang Gu↗Shijie Chen↗Jefferson Chen↗Zhen Wang↗

Knowledge-based visual question answering (KB-VQA) lets vision-language systems answer questions that exceed their parametric knowledge by conditioning a reader on passages retrieved from a Wikipedia-scale knowledge base. In pure-text long-context LLMs, retrieved-context use follows the U-shaped "lost-in-the-middle" effect of Liu et al. (2024): information at the start and end of context is used, the middle is lost. Whether this transfers to deployed multimodal KB-VQA is open. To close this gap, we design the first controlled probe of reader-side position dependence in multimodal KB-VQA: a gold-position protocol in which only the gold passage's prompt slot varies within question. We run it on three open-source 7B/8B VLM readers and two KB-VQA benchmarks at k up to 20. The shape flips from U to primacy: gold-at-first beats gold-at-last by 16 to 26 points on every reader-by-benchmark cell, an effect we call "Lost at the End". Three targeted ablations narrow the cause: a text-only control shows the multimodal setting amplifies an already-present text-mode primacy 2.2 to 4.5 times, and image-position and distractor-shuffle ablations together pin the locus to prompt slot 0 of the instruction-tuned reader. On a frozen reader, three retrieval-side fixes (MMR, oracle reranking, rank-based reordering) all leave the gap intact (no separable improvement). Our findings indicate that recall@k is the wrong metric for deployed KB-VQA and that closing the gap requires reader-side intervention; we release our protocol as a controlled instrument for evaluating such interventions.

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18.
PLOS Computational Biology 2026-06-09

Evolution of phenocopying in a dynamical model of developmental trajectories

作者:
Yuuki Matsushita↗

by Yuuki Matsushita, Archishman Raju Developmental trajectories are known to be canalized, or robust to both environmental and genetic perturbations. However, even when these trajectories are decanalized by an environmental perturbation outside the range of conditions to which they are robust, they often produce phenotypes similar to known mutants, called phenocopies. This correspondence between the effects of environmental and genetic perturbations has received little theoretical attention. Here, we study an abstract regulatory model that is evolved to follow a specific trajectory. We then study the effects of small and large perturbations to the trajectory, both by changing parameters and by perturbing the state at specific times. We find that the phenomenon of phenocopying emerges in evolved trajectories and is not present in a null model of randomly sampled trajectories. Our results suggest that, in this class of dynamic models, evolution can allow high-dimensional phenotypic landscapes to simultaneously exhibit robustness and phenocopying.

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

Where Do Backdoors Live? A Component-Level Analysis of Backdoor Propagation in Speech Language Models

作者:
Alexandrine Fortier↗Thomas Thebaud↗Jes\'us Villalba↗Najim Dehak↗Patrick Cardinal↗Peter West↗

Speech language models (SLMs) are systems of systems: independent components that unite to achieve a common goal. Despite their heterogeneous nature, SLMs are often studied end-to-end; how information flows through the pipeline remains obscure. We investigate this question through the lens of backdoor attacks. We first establish that backdoors can propagate through the SLM, leaving all tasks highly vulnerable. From this, we design a component analysis to discover the role each component takes in backdoor learning. We find that backdoor persistence or erasure is highly dependent on the targeted component. Beyond propagation, we examine how backdoors are encoded in shared multitask embeddings, showing that poisoned samples are not directly separable from benign ones, challenging a common separability assumption used in filtering defenses. Our findings emphasize the need to treat multimodal pipelines as intricate systems with unique vulnerabilities, not solely extensions of unimodal ones.

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20.
arXiv (CS.LG) 2026-06-24

Hardware-Oriented Inference Complexity of Kolmogorov-Arnold Networks

作者:
Bilal Khalid↗Pedro Freire↗Sergei K. Turitsyn↗Jaroslaw E. Prilepsky↗

arXiv:2604.03345v2 Announce Type: replace Abstract: Kolmogorov-Arnold Networks (KANs) have recently emerged as a powerful architecture for various machine learning applications. However, their unique structure raises significant concerns regarding their computational overhead. Existing studies primarily evaluate KAN complexity in terms of Floating-Point Operations (FLOPs) required for GPU-based training and inference. However, in many latency-sensitive and power-constrained deployment scenarios, such as neural network-driven non-linearity mitigation in optical communications or channel state estimation in wireless communications, training is performed offline and dedicated hardware accelerators are preferred over GPUs for inference. Recent hardware implementation studies report KAN complexity using platform-specific resource consumption metrics, such as Look-Up Tables, Flip-Flops, and Block RAMs. However, these metrics require a full hardware design and synthesis stage that limits their utility for early-stage architectural decisions and cross-platform comparisons. To address this, we derive generalized, platform-independent formulae for evaluating the hardware inference complexity of KANs in terms of Real Multiplications (RM), Bit Operations (BOP), and Number of Additions and Bit-Shifts (NABS). We extend our analysis across multiple KAN variants, including B-spline, Gaussian Radial Basis Function (GRBF), Chebyshev, and Fourier KANs. The proposed metrics can be computed directly from the network structure and enable a fair and straightforward inference complexity comparison between KAN and other neural network architectures.

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21.
arXiv (CS.CV) 2026-06-15

NEST3D: A High-Resolution Multimodal Dataset of Sociable Weaver Tree Nests

作者:
Constanza A. Molina Catricheo↗Simon Boeder↗Ting-Jia Guo↗Giacomo May↗Cl\'ement Berthelot↗Devis Tuia↗Friedrich Fedor Reinhard↗Fabio Remondino↗Benjamin Risse↗

Sociable weaver nests function as complex ecological structures offering thermoregulatory microhabitats and sustaining diverse species; however, datasets used in prior studies lack fine-grained 3D structural detail. Producing usable and accurate 3D weaver nest data is challenging due to their irregular geometry and integration with complex host vegetation. We bridge this gap with an open-access, 1.4 TB multimodal drone dataset of 104 nest-bearing trees, comprising 27,945 RGB images, 111,780 multispectral images, approximately 781 million 3D points, and expert-annotated semantic segmentation labels. We benchmark semantic segmentation using KPConv, RandLA-Net, and Point Transformer V3, with PT-v3 achieving an mIoU of 86.35% on the test set. While the results demonstrate strong performance for transformer-based and point-wise methods, they also highlight architecture-dependent challenges, particularly for convolution-based approaches such as KPConv. By uniquely combining spectral, spatial, and structural information, the presented dataset advances 3D reconstruction, segmentation, and classification algorithms, enabling ecological applications from nest volume estimation to species conservation, and serves as a demanding benchmark that exposes architecture-dependent performance under extreme class imbalance.

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

A Cross-Model VLM-Judge Protocol for Single-Image 3D Mesh Quality (and Why Cheap Proxies Fall Short)

作者:
Ali Asaria↗Tony Salomone↗Deep Gandhi↗

arXiv:2606.18451v1 Announce Type: new Abstract: Single-image-to-3D generators are improving quickly, but there is no agreed, human-free way to tell whether one generated mesh is better than another. Practitioners commonly rely on cheap automatic proxies (render-space CLIP similarity and mesh geometry-validity statistics), yet how well these track perceived quality is unestablished. We make two contributions. First, we propose and validate a reproducible VLM-judge evaluation protocol: a fixed 24-view headless render rig, two independent vision-language judge families, and a mandatory position-bias correction that queries both presentation orders and keeps only order-consistent verdicts. The two judge families agree substantially with each other (Cohen's kappa = 0.66), well above the chance-agreement floor. Second, using this protocol as the reference, we show the cheap proxies do not substitute for it. Geometry validity is only a weak signal on average (because, as we show, it is bimodal) and stays below our pre-registered target, while render-CLIP is at chance. A learned Bradley-Terry head collapses onto a single manifoldness statistic (giving render-CLIP a negative weight) and matches geometry-only exactly, so learning the feature weights buys nothing. The proxy is also bimodal: it is significantly above chance on contrasts with visible geometric defects but at chance on ambiguous contrasts, consistent with geometry validity tracking the judge only when the defect is visually salient. We therefore recommend the VLM-judge protocol as a reliable, reproducible evaluator under the conditions tested (two feed-forward generators on Google Scanned Objects, with a face-drop degradation regime) and advise against geometry/CLIP proxies as optimization targets.

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23.
bioRxiv (Bioinfo) 2026-06-12

PeptiDIA: A Machine Learning Framework for Enhanced Peptide Identification in Fast-Gradient Data-Independent Acquisition Proteomics

作者:
Ortona↗Leclercq↗Roux-Dalvai↗Routy↗Bonnet↗Droit↗

Data-independent acquisition (DIA) mass spectrometry has become increasingly prevalent in proteomics as advances in instrumentation, chromatography, and computational analysis have enabled robust proteome identification across complex biological samples. However, analytical depth achieved with fast chromatographic gradients remains lower than that obtained using long-gradients, reflecting a throughput-depth trade-off. Here, we present PeptiDIA, a machine learning framework that enhances peptide identification in fast-gradient DIA data by leveraging paired fast and long-gradient acquisitions from identical samples. PeptiDIA processes DIA-NN outputs generated at relaxed false discovery rate thresholds to obtain expanded candidate peptide pools and trains gradient-boosted decision tree models using long-gradient identifications as reference labels. The model integrates DIA-NN features with engineered peptide descriptors and applies isotonic regression to calibrate probabilities, enabling controlled peptide recovery relative to the long-gradient reference. Applied to human and murine datasets spanning six tissues acquired on an Orbitrap Exploris 480, PeptiDIA increased peptide identifications by 25-34% at 1% target reference-discordance rate (RDR) and increased the number of protein groups containing at least one rescued peptide by 15-17%. Overall, PeptiDIA improves the identification depth of fast-gradient DIA-NN workflows without altering acquisition strategies. The framework is available as a web application and command-line tool at https://github.com/Jordano700/PeptiDIA.

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

Geometric Consistency Protocol for Foundation Model Features in Multi-View Satellite Imagery

作者:
Qiyan Luo↗Jie Yang↗Yingdong Pi↗Lekang Wen↗Mi Wang↗

Standardized evaluation protocols are indispensable for robust benchmarking in remote sensing, particularly as foundation features are increasingly transferred across diverse sensors and complex imaging geometries. In satellite multi-view reconstruction, conventional evaluations relying on unconstrained 2D global matching are often misleading. The Rational Function Model (RFM) and its Rational Polynomial Coefficients (RPC) dictate a curved, height-dependent epipolar geometry that render flat 2D search spaces physically inconsistent. We propose a geometry-faithful and reproducible protocol tailored for the RPC framework. Our approach integrates an RPC-projected 3D consistency metric with a geometry-constrained dense matching proxy, specifically evaluating whether similarity responses remain localized and unique under physically plausible search manifolds. A pivotal finding of our joint reporting strategy is the decoupling of semantic agreement and geometric localization: high cross-view similarity at a projected 3D point does not guarantee reliable matchability in practical inference. Our benchmark demonstrates that incorporating geometric constraints is fundamental to the problem definition in satellite imagery. Furthermore, we show that state-of-the-art 2D backbones remain remarkably competitive against specialized 3D-aware models when subjected to this RPC-consistent evaluation.

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