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01.
arXiv (CS.CV) 2026-06-11

Right Predictions, Misleading Explanations: On the Vulnerability of Vision-Language Model Explanations

Explanation mechanisms are increasingly used to support transparency and trust in vision-language models (VLMs), particularly in settings where model decisions require human oversight. However, the robustness of these explanations remains insufficiently understood. In this work, we investigate whether explanation heatmaps in VLMs, particularly CLIP-based models, faithfully reflect model reasoning under adversarial conditions. We show that explanation maps can be systematically manipulated while preserving the model's original prediction, revealing a disconnect between predictive behavior and explanation faithfulness. To study this vulnerability, we introduce X-Shift, a novel grey-box attack that perturbs patch-level visual representations to redirect explanation heatmaps toward semantically irrelevant regions without altering the predicted output. Unlike conventional adversarial attacks that aim to induce misclassification, X-Shift specifically targets the integrity of the explanation process itself. The attack operates without modifying model parameters and generalizes across multiple CLIP architectures and explanation methods. We evaluate the proposed approach on ImageNet-1k, MS-COCO, and Flickr30K, demonstrating consistent degradation in explanation alignment under imperceptible perturbations while maintaining prediction stability. Furthermore, standard prediction-oriented adversarial attacks fail to reproduce the same explanation-shifting behavior even under substantially larger perturbation budgets. Our findings highlight a fundamental limitation of current explanation mechanisms in VLMs and raise concerns about their use as reliable indicators of model trustworthiness in high-impact applications.

02.
Nature (Science) 2026-06-10

Light slows down carbon nanotubes in water

Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’. Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’.

03.
bioRxiv (Bioinfo) 2026-06-11

HalluDesign-NA: Extending HalluDesign for De Novo Nucleic Acid Design

AlphaFold3 has revolutionized the prediction of biomolecular structures and interactions, including atomic-level modeling of nucleic acids. However, the de novo design of structured and functional nucleic acids remains a significant challenge. Here, we extend our HalluDesign framework to nucleic acid design by integrating NA-MPNN for nucleic acid sequence optimization and design. This new framework, HalluDesign-NA, enables iterative sequence-structure co-optimization, facilitating the de novo design of nucleic acids. Computational benchmarking across ssDNA, ssRNA, and aptamer design tasks demonstrates consistent improvements in confidence scores (pLDDT, ipTM), supporting the feasibility of de novo nucleic acid design under various constraints, such as sequence length, symmetry, and protein structure context. We anticipate that HalluDesign-NA will accelerate the de novo design of functional nucleic acids for applications in biotechnology and medicine. The source code for HalluDesign-NA is available at https://github.com/MinchaoFang/HalluDesign_NA.

04.
arXiv (CS.AI) 2026-06-19

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

arXiv:2606.20373v1 Announce Type: cross Abstract: Large Language Models (LLMs) show promise for code compilation tasks, but applying them to runtime performance tuning is difficult due to complex microarchitectural effects and noisy runtime measurements. We present AutoPass, a multi-agent framework for compiler performance tuning that uses compiler and runtime evidence to guide LLM-generated optimization decisions. Rather than treating the compiler as a black box like prior auto-tuning schemes, AutoPass opens up the compiler to the LLM, enabling it to query compiler-internal optimization states and analyze the intermediate representation to orchestrate compiler options. The search process iteratively refines optimization configurations using measured runtime feedback to diagnose regressions and guide latency-improving edits. AutoPass operates in an inference-only, training-free setting and requires no offline training or task-specific fine-tuning, making it readily applicable to new benchmarks and platforms. We implement AutoPass on the LLVM compiler and evaluate it on server-grade x86-64 and embedded ARM64 systems. AutoPass outperforms expert-tuned heuristics and classical autotuning methods, achieving geometric-mean speedups of 1.043x and 1.117x over LLVM -O3 on x86-64 and ARM64, respectively.

05.
medRxiv (Medicine) 2026-06-16

Presurgical immune biomarkers associated with pain intensity and pain interference recovery after total knee arthroplasty: findings from the PRIME-KNEE study

Chronic postsurgical pain (CPSP) prevalence after total knee arthroplasty (TKA) is >20%. Circulating immune biomarkers are known factors of musculoskeletal pain but poorly understood as CPSP predictors. This prospective, longitudinal study of 203 patients s/p TKA tested presurgical plasma biomarkers associated with 6-month CPSP, using promising approaches from geriatrics biomarker research: expected recovery differential (ERD; resilience outcome) and penalized, machine-learning regularization modeling (elastic net and LASSO regression). Forty-nine presurgical candidate biomarkers were considered. CPSP was operationalized using ERDs built around PROMIS pain intensity and pain interference, which quantified the difference between observed and expected recovery after accounting for demographic, comorbidity, reserve, and perioperative factors. Plasma/ERDs from ~130 patients revealed 13 biomarkers with the highest selection stability criteria, and either positive or negative (+/-) associations with ERDs. Interleukin (IL) 5 (-) and Lipopolysaccharide-Binding Protein (LBP; +) were associated with both ERDs. Unique associations with pain intensity ERD included Cytomegalovirus-Specific IgG Negative (CMV IGg-; -), Macrophage Inflammatory Protein-1 Beta (MIP1b; -), IL12p70 (-, Cluster of Differentiation 30 (sCD30;-), Interferon alpha 2a (IFN2a;+), and Leukemia Inhibitory Factor (LIF;+). Unique associations with pain interference ERD included Lipopolysaccharide (LPS;-), Activin A (-), IL8 (-), Serum Amyloid A (SAA;-), and IL7 (+). Protein-protein interaction analyses and topology motifs suggest a centralized network with higher-than-expected connectivity, involving IL5, IL7, IL8, MIP1{beta}, and IFN2a, among others. This study proposes rigorous yet feasible approaches to expedite pain biomarker research, and introduces presurgical biomarkers t0 consider in future TKA-CPSP biosignature derivation.

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

SAIGuard: Communication-State Simulation for Proactive Defense of LLM Multi-Agent Systems

arXiv:2606.12474v1 Announce Type: cross Abstract: LLM-based multi-agent systems (MAS) solve complex tasks through inter-agent collaboration, but their communication-driven nature also allows security risks to spread across agents and trigger system-wide failures. Existing MAS defenses mainly follow a reactive paradigm after execution by detecting and isolating harmful agents, which may cause irreversible damage and degrade collaborative utility. To address this, we propose a proactive defense framework for MAS security, namely a Simulation-aware Interception Guard (SAIGuard). SAIGuard performs communication-state simulation over the MAS interaction graph, estimates the impact of incoming messages on local agent states and the global MAS state, and detects risky messages via reconstruction deviations from benign communication patterns. Instead of isolating agents, SAIGuard sanitizes or regenerates suspicious messages before it propagation into system. Experiments across diverse topologies and attack scenarios show that SAIGuard reduces attack success rates while maintaining MAS utility, outperforming reactive defenses.

07.
arXiv (quant-ph) 2026-06-11

Partitioned Iterative Quantum Scheduling of Satellites for Urgent Disaster Response: Case study of Wildfire

arXiv:2606.12310v1 Announce Type: new Abstract: The standard in Earth-observation tasks today is having near real-time access to surface images in response to changing conditions. For instance, as urban environments interface more with wildlands and wildfires become less predictable, their tracking with satellite resources becomes essential. This requires the coordination of increasingly large constellations of satellites, giving rise to challenging computational problems. With wildfire detection and tracking as a backdrop, we investigate the power of special purpose and novel computing paradigms to tackle the ensuing satellite scheduling problems, making a compelling case for quantum algorithms. We bring quantum scheduling algorithms closer to implementation by examining both the emerging iterative quantum algorithm framework, which comes with analytic guarantees compared to some classical algorithms, and distributed quantum computing methods whose relevance is on the rise as utility-scale problems begin to get solved with quantum computers. Drawing strength from several computing fronts, we develop a distributed/parallelization scheme in conjunction with the quantum algorithm design and apply these techniques to real-world datasets for wildfire detection. While our quantum subprocesses are currently too small to see significant quantum advantage, our results validate the utility of these techniques, and continue forging the path toward distributed quantum computing.

08.
arXiv (CS.CV) 2026-06-24

ActiveScope: Actively Seeking and Correcting Perception for MLLMs

Multimodal Large Language Models (MLLMs) have demonstrated impressive vision-language understanding, yet still struggle with fine-grained perception in high-resolution images. While existing training-free methods typically rely on attention-based localization or coarse-to-fine search, they are often misled by distractors and fail to locate multiple targets. Our investigation attributes these failures to Contextual Dominance, where salient distractors overwhelm target attention and cause inaccurate localization, and Semantic Bias, where global semantics cause the model to fixate on the most salient concept, resulting in incomplete localization in multi-object scenarios. Built on these insights, we propose ActiveScope, a training-free framework that enhances MLLMs by actively seeking and correcting perception. ActiveScope features two modules. The Semantic Anchor Localization (SAL) utilizes fine-grained semantic anchors to independently localize key targets, thereby mitigating semantic bias. The Interference-Suppressed Refinement (ISR) refines localization by suppressing attention on salient distractions to overcome contextual dominance. Extensive experiments on high-resolution image understanding benchmarks demonstrate that ActiveScope outperforms existing training-free methods (e.g., 96.34 percent accuracy on $V^{*}$ Bench), validating the superiority of the active search and self-correction paradigm. Our code is available at https://github.com/jasmine-ww/ActiveScope.

09.
arXiv (CS.CL) 2026-06-24

Sentence-Level Contextual Entrainment in Large Language Models

Contextual entrainment, which is a newly discovered phenomenon in large language models (LLMs), refers to the tendency of a model to assign higher probabilities to tokens that appear in its context. In this work, we extend this phenomenon from the token level to the sentence level by examining the per-token mean log-probability of a sentence instead of the probabilities of individual tokens. We investigate sentence-level contextual entrainment across 26 LLMs from seven families and two datasets, which cover both subjective and objective tasks. We find that sentence-level contextual entrainment exists. This means that the sentences in the prompt (even if they are counterfactual statements) can significantly increase their probability during model inference time. As the model size increases, contextual entrainment gradually decreases. We also find that contextual entrainment is controlled by 2% to 4% of the attention heads. Turning off these attention heads can effectively mitigate contextual entrainment without hurting the model's performance.

10.
arXiv (quant-ph) 2026-06-19

Topological Quantum Interferometry

arXiv:2606.19730v1 Announce Type: new Abstract: Structured light provides high-dimensional Hilbert spaces holding tremendous potential for fundamental quantum optics and quantum technologies. However, existing characterization methods, like Hong-Ou-Mandel (HOM) interference, typically assume perfectly tuned conditions, overlooking the geometric physics governing spatial mode evolution. Here, we establish topological quantum interferometry driven by an interaction-based geometric phase, the exchange Berry phase (BPX). Our formalism generalizes $q$-plate state generation and characterization to arbitrary topological charges and (de)tuning conditions, demonstrating that BPX acts as a geometric marker governing spatial interference. We show BPX serves as a deterministic control parameter, decomposing two-photon spatial patterns into geometry-dictated fundamental modes. This mapping reveals topological invariants and phase singularities that function as a non-tomographic witness for state dimensionality estimation, circumventing full-state reconstruction. Being device-independent and highly scalable, this approach enables scalable high-dimensional characterization and topologically protected state selection, with direct applicability to quantum metrology and high-capacity quantum networks.

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

Online Learning for Supervisory Switching Control

arXiv:2603.14762v4 Announce Type: replace-cross Abstract: We study supervisory switching control for partially-observed linear dynamical systems. The objective is to identify and deploy a suitable controller for the unknown system by periodically selecting among a collection of $N$ candidate controllers, some of which may destabilize the underlying system. While classical estimator-based supervisory control guarantees asymptotic stability, it lacks quantitative finite-time performance bounds. Conversely, current non-asymptotic methods in both online learning and system identification require restrictive assumptions that are incompatible in a control setting, such as system stability, which preclude testing potentially unstable controllers. To bridge this gap, we propose a novel, non-asymptotic analysis of supervisory control that adapts multi-armed bandit algorithms to a control-theoretic setting. The proposed data-driven algorithm evaluates candidate controllers via scoring criteria that leverage system observability to isolate the effects of state history, enabling both detection of destabilizing controllers and accurate system identification. We present two algorithmic variants with dimension-free, finite-time guarantees, where each identifies the matching controller in $O(N \log^2 N)$ steps, while simultaneously achieving finite $L_2$-gain with respect to system disturbances.

12.
arXiv (CS.CV) 2026-06-24

Fabric Image Demoiréing Benchmark from Synthesis to Restoration

Fabric moiré is a sampling-induced aliasing artifact caused by the interaction between fine textile patterns and camera sensor grids, producing structured interference that severely degrades image quality. Unlike screen-induced moiré, which stems from strictly periodic display lattices, fabric moiré is intrinsically more challenging due to the broadband and semi-periodic nature of textile weaves. The heavy spectral overlap between intrinsic texture and aliasing components renders fabric demoiréing substantially more ill-posed. Consequently, existing models trained on screen moiré datasets generalize poorly to these complex textile patterns. Despite its practical importance, fabric image demoiréing remains underexplored and lacks standardized benchmarks. We present the first comprehensive benchmark for fabric image demoiréing. To address the difficulty of acquiring pixel-aligned real-world pairs, we develop a physically motivated synthesis framework and construct a large-scale dataset comprising 16,050 paired multi-resolution fabric images with controllable aliasing severity. Furthermore, we customize a baseline model, which establishes promising performance on the proposed benchmark dataset with strong generalization ability. Our benchmark provides a standardized platform for advancing research in fabric image demoiréing.

13.
arXiv (CS.LG) 2026-06-24

Macro Graph of Experts for Billion-Scale Multi-Task Recommendation

arXiv:2506.10520v5 Announce Type: replace-cross Abstract: Graph-based multi-task learning at billion-scale presents a significant challenge, as different tasks correspond to distinct billion-scale graphs. Traditional multi-task learning methods often neglect these graph structures, relying solely on individual user and item embeddings. However, disregarding graph structures overlooks substantial potential for improving performance. In this paper, we introduce the Macro Graph of Experts (MGOE) framework, the first approach capable of leveraging macro graph embeddings to capture task-specific macro features while modeling the correlations between task-specific experts. Specifically, we propose the concept of a Macro Graph Bottom, which, for the first time, enables multi-task learning models to incorporate graph information effectively. We design the Macro Prediction Tower to dynamically integrate macro knowledge across tasks. MGOE has been deployed at scale, powering multi-task learning for a leading billion-scale recommender system, Alibaba. Extensive offline experiments conducted on three public benchmark datasets demonstrate its superiority over state-of-the-art multi-task learning methods, establishing MGOE as a breakthrough in multi-task graph-based recommendation. Furthermore, online A/B tests confirm the superiority of MGOE in billion-scale recommender systems.

14.
arXiv (CS.LG) 2026-06-18

From Mechanistic to Compositional Interpretability

arXiv:2605.08934v2 Announce Type: replace Abstract: Mechanistic interpretability aims to explain neural model behaviour by reverse-engineering learned computational structure into human-understandable components. Without a formal framework, however, mechanistic explanations cannot be objectively verified, compared, or composed. We introduce compositional interpretability, a category-theoretic framework grounded in the principles of compositionality and minimum description length. Compositional interpretations are pairs of syntactic and semantic mappings that must commute to enforce consistency between a model's decomposition and its observed behaviour. We deconstruct explanation quality into measures of faithfulness and complexity to cast interpretability as a constrained optimisation problem, and introduce compressive refinement to systematically restructure models into simpler parts without altering their function. Finally, we derive a parsimony criterion under which syntactic compression theoretically guarantees more concise, human-aligned explanations. Our framework situates prominent mechanistic methods as subclasses of refinement, and clarifies why their compressibility heuristics tend to align with human interpretability. Our work provides a measurable, optimisable blueprint for automating the discovery and evaluation of mechanistic explanations.

15.
arXiv (CS.LG) 2026-06-17

Manifold GCN: Diffusion-based Convolutional Neural Network for Manifold-valued Graphs

arXiv:2401.14381v3 Announce Type: replace Abstract: We propose two graph neural network layers for graphs with features in a Riemannian manifold. First, based on a manifold-valued graph diffusion equation, we construct a diffusion layer that can be applied to an arbitrary number of nodes and graph connectivity patterns. Second, we model a tangent multilayer perceptron by transferring ideas from the vector neuron framework to our general setting. Both layers are equivariant under node permutations and the feature manifold's isometries. These properties have led to a beneficial inductive bias in many deep-learning tasks. Furthermore, they enable novel, more flexible feature designs. Numerical examples on synthetic data and an Alzheimer's classification application on triangle meshes of the right hippocampus demonstrate the usefulness of our new layers: While they apply to a much broader class of problems, they outperform task-specific state-of-the-art networks.

16.
arXiv (CS.CL) 2026-06-12

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets – CreativeBench-Combo and CreativeBench-Explore – the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

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

SPARK: Spatial Policy-driven Adaptive Reinforcement learning for Knowledge distillation

Low-bit quantization enables deployment of image restoration (IR) networks on resource-constrained devices, but introduces rounding noise that disproportionately degrades high-frequency regions such as edges and fine textures. Existing knowledge distillation (KD) methods apply distillation signals uniformly across all spatial locations, overlooking the varying reconstruction difficulty across image regions. To address this, we propose SPARK (Spatial Policy-driven Adaptive Reinforcement Learning for Knowledge Distillation), a framework that adaptively allocates distillation effort using a lightweight reinforcement learning (RL) policy network. At each training step, a difficulty feature extractor computes four signals, namely Laplacian variance, pixel variance, student reconstruction error, and teacher-student knowledge gap, which are fed into a compact policy CNN that produces a stochastic spatial weight map to modulate the KD loss during quantization-aware training (QAT). SPARK is IR task-agnostic, adds no inference cost, and integrates into any existing QAT pipeline without architectural changes. Experiments on benchmark datasets demonstrate that SPARK consistently outperforms PTQ, QAT, and state-of-the-art (SOTA) KD approaches across multiple student architectures, achieving reconstruction quality closest to the full-precision teacher under significant computational constraints.

18.
arXiv (CS.AI) 2026-06-16

Quantifying the Impact of Lossy Compression on Neural Generative Surrogate Modeling

arXiv:2606.15959v1 Announce Type: cross Abstract: Neural networks are used as generative surrogate models for scientific discovery, which are trainable approximations of scientific simulations. These models enable users to replace time-consuming numerical simulations with learned alternatives, providing quick solutions. However, high-fidelity generative surrogate models require massive training datasets, which can create storage and I/O challenges. Lossy compression is a promising way to reduce this burden, but compression errors may affect the model quality in subtle ways, making it challenging to quantify their impact. In this work, we examine how lossy compression of training data impacts the quality of generative surrogate models. We begin by characterizing the uncertainty inherent in training neural networks, showing that identical training configurations can produce different models. By exploiting this variability, we propose a method to estimate how much compression-induced error a surrogate model can tolerate without affecting its accuracy. Evaluation of two application simulations demonstrates that our approach significantly reduces memory/storage requirements and speeds up training while producing high-quality surrogate models. These results show that lossy compression saves data storage up to 23.7x and 39x with negligible impact on the quality of the surrogate model. Meanwhile, reducing the size of the training data set also enhances the data loading speed and reduces the training time by up to 3x.

19.
PLOS Computational Biology 2026-06-01

A statistical framework for comparing epidemic forests

Authors:

by Cyril Geismar, Peter J. White, Anne Cori, Thibaut Jombart Inferring who infected whom in an outbreak is essential for characterising transmission dynamics and guiding public health interventions. However, this task is challenging due to limited surveillance data and the complexity of immunological and social interactions. Instead of a single definitive transmission tree, epidemiologists often consider multiple plausible trees forming epidemic forests. Various inference methods and assumptions can yield different epidemic forests, yet no formal test exists to assess whether these differences are statistically significant. We propose such a framework using a chi-square test and permutational multivariate analysis of variance (PERMANOVA). We assessed each method’s ability to distinguish simulated epidemic forests generated under different offspring distributions. While both methods achieved perfect specificity for forests with 100+ trees, PERMANOVA consistently outperformed the chi-square test in sensitivity across all epidemic and forest sizes. Implemented in the R package mixtree, we provide the first statistical framework to robustly compare epidemic forests.

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

ScaleWoB: Guiding GUI Agents with Coding Agents via Large-Scale Environmental Synthesis

arXiv:2605.25160v2 Announce Type: replace Abstract: GUI agents powered by large language models are advancing rapidly, creating urgent needs for evaluation and training based on realistic environments. However, directly doing so in real-world environments introduces some challenges that cannot be overlooked. Real-world environments are complex and uncontrollable, making it difficult to construct verifiable rewards and to save or reset states. Existing works prioritize reproducibility but are often limited to open-source apps or file-operation tasks for reliable reward building, leaving a persistent gap from real-world usage. Furthermore, relying on virtual machines or docker images demand high resource requirements and suffer from slow response speeds, which limit the efficiency. We present \sys, a framework that could produce high-fidelity synthesized interactive environments for GUI agents across platforms with verifiable rewards. These environments behave as backend-free webpages accessible via URL, requiring near-zero setup and low resource cost, making the approach suitable for both large-scale evaluation and downstream agent training. We support multiple GUI platforms including mobile, desktop, and automotive/in-vehicle interfaces based on the same pipeline, covering 100+ environments and 1000+ verifiable tasks. Among them, 120 challenging tasks across 63 simulated mobile applications are released as a fully synthesized mobile GUI agent benchmark. Experiment results on five state-of-the-art mobile GUI agents reveal substantial headroom – the average success rate is only 27.92\%, dropping to 17.82\% on long-horizon subset – while humans reach 92.08\%. A comparison against real-world sample tasks shows that assessments made in our synthetic environments generalize to real apps. The project website is at https://scalewob.github.io.

21.
bioRxiv (Bioinfo) 2026-06-11

Sequence-Based Therapeutic Peptide Classification with Augmented Negative Sampling

Therapeutic peptides offer high target specificity, low toxicity, and the ability to modulate protein-protein interactions, yet experimental functional characterization remains costly and slow. Computational prediction of therapeutic function directly from sequence could accelerate peptide screening and enable generative design pipelines, but requires reliable discrimination between therapeutic and non-therapeutic peptides. Existing multi-label predictors cover few functions, rely on limited datasets, and exhibit high glspl{fpr}, limiting their practical utility. We present a lightweight CNN classifier trained on the most comprehensive therapeutic peptide database to date (54,655 peptides, 48 functional categories). A key contribution is a statistically motivated negative sampling strategy using Markov models to generate diverse synthetic decoys at multiple difficulty levels. When evaluated on this controlled decoy benchmark, the FRP is reduced from over 60% for previous models to 2.1% for our approach. Our fine-tuned five-model ensemble achieves 78.9% Micro F1 and 54.6% Macro F1 while requiring only amino acid sequences as inputs. Analysis using a sparse L1-constrained variant of our model shows that convolutional filters capture conserved functional motifs and statistically improbable non-therapeutic patterns, with downstream layers combining these signals, providing mechanistic evidence that the network learns biologically meaningful structure. In a generalization task on the TPpred-LE benchmark, our model achieves 55.3% Micro F1 and 38.6% Macro F1, comparable to TPpred-LE trained on its native dataset (57.9%/38.1%) while predicting four times more therapeutic functions with four times fewer parameters. Code and models will be made available at https://github.com/terra-quantum-public/tq-therapep-ai.

22.
bioRxiv (Bioinfo) 2026-06-11

STITCH links cellular morphology and gene expression in spatial transcriptomics

In situ spatial (ISS) sequencing can uncover co-variation between cellular morphology and gene expression in vivo. However, a principled and interpretable mathematical representation of morphology has not yet been applied in this context. In particular, current deep learning-based representations of cell images confound a cell's shape with its size. We present an interpretable representation of cellular boundary contours, based on tangent principal component analysis (TPCA) in a Kendall shape manifold, that captures size-independent contour shape features. This approach successfully recovers shape-perturbing genes in an RNAi screen than a previous metric geometry-based approach. We build on TPCA to develop STITCH (Shape-TranscriptomIc Correlation and Harmonization), an approach to reveal covariation between cell morphology with gene expression in ISS datasets. In a Xenium dataset, STITCH outperforms a deep learning-based approach in both recovering the layered organization of keratinocytes and a spatial gradient in nuclear eccentricity. Across samples in a melanoma CosMx dataset, STITCH reproducibly associates elongated and triangular fibroblasts with proximity to malignant cells and myofibroblast-like transcriptional program. Finally, STITCH independently recovers a known link between mesenchymal-like malignant cell states and increased cell area in two melanoma cohorts. STITCH can thus yield interpretable morphology-transcriptome relationships across cell types, patients, and spatial transcriptomics platforms.

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

PH-KAN: Port-Hamiltonian Kolmogorov-Arnold Network

arXiv:2606.14708v1 Announce Type: cross Abstract: Data-driven machine learning approaches have become increasingly attractive for nonlinear system identification, but standard models often fail to preserve the underlying physical structure and remain difficult to interpret, especially when no analytical model is available. In this context, port-Hamiltonian (pH) models provide a natural physics-informed representation. However, when these models are parameterized with standard multilayer perceptrons (MLPs), the learned constitutive components often remain poorly interpretable. In this paper, we propose a structure-preserving identification framework for nonlinear port-Hamiltonian systems based on Kolmogorov-Arnold Networks (KANs). The proposed PH-KAN model parameterizes the interconnection matrix, dissipation matrix, Hamiltonian, and input mapping using dedicated KAN blocks, while enforcing the port-Hamiltonian constraints by construction. This yields constitutive representations in which the nonlinear functions defining the identified pH components can be explicitly inspected, leading to a more interpretable model than with standard MLP-based parameterizations.

24.
arXiv (CS.CV) 2026-06-18

Test-Time Adaptation in Optical Coherence Tomography Using Trajectory-Aligned Time-Independent Flow

Optical coherence tomography (OCT) is essential in ophthalmology, but inconsistent image quality especially in low-cost devices hinders automated analysis. To address this, we introduce a flow-matching-based test-time adaptation method that generates high-quality surrogate images from noisy inputs. Typically, domain gaps between test and training data cause pixel distribution mismatches during the denoising process. We overcome this by matching the test image's histogram to synthetic reference trajectories, successfully aligning the input with expected distributions. Additionally, we remove the network's time conditioning to account for slight deviations in real-world noise distributions. Our approach achieves state-of-the-art performance in segmenting critical biomarkers for two stages of Age-related Macular Degeneration (AMD). Code is available: https://github.com/Veit21/tta-flow.

25.
arXiv (CS.LG) 2026-06-19

Quantum ring all-reduce: communication and privacy advantages for distributed learning

arXiv:2606.20344v1 Announce Type: cross Abstract: Machine learning models have scaled to unprecedented sizes, making training across distributed devices the de facto standard in the field. In this work, we explore how quantum communications can make distributed training both more communication-efficient and information-theoretically private, for both classical and quantum learning models. Ring all-reduce is the foundational communication primitive for large-scale distributed training. We present a quantum version that reduces per-link online communication by a provably optimal factor of two using pre-shared entanglement and superdense coding, without requiring the learning model or gradient computation to change. Beyond bandwidth, the primitive enables privacy guarantees that are information-theoretically impossible for any classical protocol, achieving composable {\epsilon}-secure aggregation, via verified entanglement, at a 2x overhead in GHZ copies. Our hybrid quantum-classical communication architecture yields simultaneous communication and security advantages for large scale distributed training, regardless of whether the learning itself is quantum or classical. Finally, we characterise quantum advantages in gradient conflict detection for server-to-client communication under bandwidth constraints, a setting that arises after ring all-reduce is completed, when full gradient broadcast to external clients is infeasible. Two variants of the problem admit different separations. For margin-based alignment testing (\textsc{GapIP}_{\tau}), the quantum advantage is quadratic in the margin parameter: \widetilde{O}({\tau}^{-1}\log P) qubits versus \widetilde{O}(\min(\{\tau}^{-2},P)) bits. For sign-consistency auditing against a private parameter matching (\textsc{TieAudit}_{\epsilon}), the advantage represents an exponential separation in communication complexity: \Omega(\sqrt{P}) bits whereas O({\epsilon}^{-2}\log P) qubits suffice.