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01.
arXiv (CS.LG) 2026-06-19

Beyond Averaging in John Ellipsoid Approximation: High-Accuracy Algorithms in the Leverage-Score Model

arXiv:2606.20082v1 Announce Type: cross Abstract: The John ellipsoid of a symmetric polytope $P=\{\mathbf{x}\in\mathbb{R}^d:\|\mathbf{A}\mathbf{x}\|_\infty\le1\}$, $\mathbf{A}\in\mathbb{R}^{n\times d}$, is computed by a long line of leverage-score algorithms, from Cohen, Cousins, Lee and Yang (COLT 2019) to its successors [WY24, CLS+25], all reaching a $(1+\varepsilon)$-approximation in $\Theta(\varepsilon^{-1}\log(n/d))$ iterations. We separate this complexity into three costs the modern line conflates (certification, identification, and accuracy) and locate the historical $\varepsilon^{-1}$ in the first alone. In the equivalent D-optimal-design form $\min_{\mathbf{p}\in\Delta_n}-\log\det(\sum_i p_i\mathbf{a}_i\mathbf{a}_i^\top)$, the leverage-score oracle is exactly the first-order oracle and the $(1+\varepsilon)$-John guarantee the Frank-Wolfe gap $g(\mathbf{p})\le\varepsilon d$; through this dictionary the costs come apart. The $\varepsilon^{-1}$ is a certification artifact: the uniform average of the iterates, the certificate used throughout the line, has gap exactly $\Theta(1/T)$, however cheap each iteration is made. Pointed instead at the last iterate the same oracle is fast: a warm-started accelerated method reaches the guarantee in $C(\mathbf{A})+O(\sqrt{\kappa}\log(1/\varepsilon))$ queries after an $\varepsilon$-independent setup $C(\mathbf{A})$, and once the optimal face is identified the facial problem is an unconstrained self-concordant minimization whose Hessian the oracle recovers exactly, so damped Newton needs only $O(\log\log(1/\varepsilon))$ steps, for a total of $C(\mathbf{A})+O(d^2\log\log(1/\varepsilon))$ queries. The accuracy dependence is thus doubly logarithmic after an $\varepsilon$-independent, condition-dependent setup; the open problem is the remaining identification cost (a condition-free bound on reaching the optimal face) and lower bounds. Accuracy is not the obstruction.

02.
PLOS Computational Biology 2026-05-29

Structural and dynamic basis of NOD2 tandem CARD association and NOD1/2–RIP2 signaling complexes

by Jitendra Maharana, Aritra Bej, Debasish Biswal, Debashis Panda, Arjun Sharma NOD1 and NOD2, founding members of the NOD-like receptor (NLR) family, play a crucial role in host defense against bacterial infections. Recognition of peptidoglycan-derived ligands triggers ATP-dependent oligomerization of the NACHT domain, exposing the CARD domains that recruit the adaptor protein RIP2 via CARD–CARD interactions to activate the NF-κB signaling cascade. Although NOD1/2-RIP2 interactions and RIP2CARD filament assembly are established, the precise interfaces that stabilize hetero–CARD filaments remain poorly defined. Here, we integrate in silico structural modeling with molecular dynamics (MD) simulations to elucidate structurally compatible arrangements of NOD1–RIP2 and NOD2–RIP2 hetero–CARD filaments. Our results reveal that NOD1CARD subunits form a structurally compatible homomeric scaffold via canonical (type-I–III) interfaces, accommodating multiple tiers of RIP2CARD rings at both filament termini. Meanwhile, the NOD2 tandem CARDs adopt multiple discrete conformations, reflecting a more intricate structural mechanism. In stable filament conformations, tandem CARDs converge at the type-II interface, with RIP2CARD rings stacking onto CARDa (top-down) and CARDb (bottom-up) interfaces, highlighting the structural role of NOD2CARDb in RIP2-mediated CARD–CARD interaction. In silico mutagenesis, involving charge-reversal and alanine scanning of key interfacial residues, disrupts NOD1–RIP2 and NOD2–RIP2 interactions at both top-down and bottom-up interfaces, leading to rapid interface destabilization within 0.1–0.4 μs of simulation. Together, these results reveal conserved and receptor-specific mechanisms governing NOD1/2–RIP2 CARD–CARD interactions and provide deeper structural and dynamic insights into the complex structural mechanisms for NLR-mediated inflammatory signaling.

03.
arXiv (math.PR) 2026-06-24

Toeplitz Determinants and Admissible Correlation Intervals

Authors:

arXiv:2606.24603v1 Announce Type: new Abstract: For a homogeneous one-dimensional random field, positive semidefiniteness of finite Toeplitz correlation matrices imposes non-trivial constraints on admissible correlation coefficients. The widths of the corresponding admissible intervals are closely related to determinants of principal Toeplitz submatrices. Using the classical Desnanot–Jacobi determinant identity, I derive a simple determinantal representation for the widths of admissible correlation intervals. As an immediate consequence, I recover the product expressions for admissible interval widths previously stated by Schneider & Hartlap (2009). The argument places these relations into the general framework of classical Toeplitz determinant theory.

04.
arXiv (quant-ph) 2026-06-19

Efficient upsampling for tensor-network and quantum-state encoded functions

arXiv:2601.03885v2 Announce Type: cross Abstract: Both tensor trains (TTs) and quantum states provide compressed representations of grid-structured data with potentially exponential compression power. We present a unified framework for upsampling data encoded in vector amplitudes, with efficient realizations in both classical TT and quantum settings. Starting from an \(n\)-core TT or an \(n\)-qubit state on a coarse grid with \(2^n\) points, the construction produces an \((n+m)\)-core TT or \((n+m)\)-qubit state on a finer grid with \(2^{n+m}\) points. In the TT setting, it supports interpolation, quasi-interpolation, augmentation, and synthesis through efficient low-rank contractions, with the added \(m\) cores retaining constant rank. For function-value encodings, the resulting interpolation satisfies an \(\ell^2\)-error bound independent of the number of added grid points, achieves exponential compression at fixed accuracy, and has a logarithmic complexity in the number of grid points. In the quantum setting, the refined state is prepared by a \(\mathrm{poly}(n,m)\)-size circuit using \(\log(p+1)\) ancillas, where \(p\) controls the smoothness of the quasi-interpolant; the corresponding error scales quadratically with the initial grid spacing. We validate our framework for tensor networks in one-, two-, and three-dimensional examples, including functions, derivatives, airfoil masks, and synthetic random fields such as three-dimensional turbulence. In particular, fractal fields can be generated directly in TT format with logarithmic memory and runtime. These results open a practical route to multiscale solvers, generative models, and geometry-aware algorithms on tensor-network and quantum platforms, with potential applications in scientific simulation, imaging, and real-time graphics.

05.
arXiv (CS.AI) 2026-06-19

GDGU: A Gradient Difference-based Graph Unlearning Method for Cyberattack Localization in Electric Vehicle Charging Networks

arXiv:2606.19566v1 Announce Type: cross Abstract: Electric vehicle charging stations (EVCSs) can expose distribution feeders to cyberattacks. While machine learning methods, including graph neural networks, can localize which bus is compromised, significant challenges remain in data sharing and model training. For example, privacy regulations grant EVCS owners the right to delete their training data from a deployed model, yet retraining from scratch on every request is computationally prohibitive. To address this, we study graph unlearning (GU) for EVCS cyberattack localization, formulated as a feature-level unlearning problem on a graph-level multi-label classification task. Specifically, we propose gradient difference-based graph unlearning (GDGU), which removes the influence of the requested deletion data through a first-order parameter correction. The correction is computed from the gradient difference between the original training data and a modified dataset in which only the charging power features at the requested EVCS buses are unlearned. Then, a batch-normalization recalibration and a brief recovery fine-tuning step are applied to restore localization utility. We benchmark GDGU against two second-order GU baselines on the IEEE 34-bus, 123-bus, and 8500-node distribution networks across three graph neural network backbones and cumulative unlearning scenarios. GDGU matches the strongest baseline on localization utility and reaches forgetting fidelity close to full-retraining, while unlearning 10 to 12 times faster than retraining from scratch and using far less memory than the second-order GU baselines.

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

End-to-End Radar and Communication Modulation Recognition with Neuromorphic Computing

arXiv:2606.24075v1 Announce Type: cross Abstract: Although deep learning-based methods can achieve high accuracy in automatic modulation recognition (AMR) tasks, their high computational cost makes it difficult to strike a balance between accuracy and power consumption, thereby limiting their application on resource-constrained platforms. Neuromorphic architectures that perform spike-driven inference with modest energy budgets have recently been explored for vision and timeseries tasks. Motivated by these works, we propose EMRFormer, a novel end-to-end spiking nerural network (SNN) architecture that applies spike-driven transformer to the constraints of neuromorphic hardware for AMR. The model incorporates an adaptive spike encoder and Integer Leaky Integrate-and-Fire neurons to mitigate the degradation of effective information and enhance SNN representational capacity. By integrating spike-separable Convolution Neural Networks (SSCNN) into Spike-Driven Transformers (SpikeFormer), EMRFormer effectively extracts multi-scale temporal features from the raw IQ waveforms. We validate our approach across various mainstream datasets, the experimental results show that EMRFormer achieves state-of-the-art interms of accuracy, outperforming all the baselines. Furthermore, the model maintains strong performance in low signal-to-noise(SNR) environments and reduces theoretical energy consumption by over 90%. Finally, we evaluate our model on a KA200 neuromorphic chip. The results show that our model achieves up to 5 times reduction in power compared to running on a 3090 GPU or an Orin NX. This work demonstrates a promising pathway for AMR on resource-constrained devices.

07.
arXiv (math.PR) 2026-06-19

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

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

08.
arXiv (CS.CL) 2026-06-17

OpenLID-v3: Improving the Precision of Closely Related Language Identification – An Experience Report

Language identification (LID) is an essential step in building high-quality multilingual datasets from web data. Existing LID tools (such as OpenLID or GlotLID) often struggle to identify closely related languages and to distinguish valid natural language from noise, which contaminates language-specific subsets, especially for low-resource languages. In this work we extend the OpenLID classifier by adding more training data, merging problematic language variant clusters, and introducing a special label for marking noise. We call this extended system OpenLID-v3 and evaluate it against GlotLID on multiple benchmarks. During development, we focus on three groups of closely related languages (Bosnian, Croatian, and Serbian; Romance varieties of Northern Italy and Southern France; and Scandinavian languages) and contribute new evaluation datasets where existing ones are inadequate. We find that ensemble approaches improve precision but also substantially reduce coverage for low-resource languages. OpenLID-v3 is available on https://huggingface.co/HPLT/OpenLID-v3.

09.
arXiv (CS.AI) 2026-06-17

Learning Cardiac Electrophysiology Digital Twins Through Agentic Discovery of Hybrid Structure

arXiv:2606.18154v1 Announce Type: new Abstract: Building personalized cardiac electrophysiology (EP) digital twins requires identifying the appropriate model structure for each patient, not merely fitting parameters. Traditional methods rely on experts to manually prescribe hybrid physics-neural architectures, which requires deep domain expertise and does not transfer across patients. Recent works have applied large language models (LLMs) to generate or act as hybrid models. However, despite their promising generalization capacity, these LLM-based methods lack the structural priors needed for stable cardiac simulations. Hence, we propose LEADS, a framework that formulates cardiac EP domain knowledge as a structured action space and utilizes an LLM agent to discover hybrid models. The agent follows an iterative reasoning-and-action loop to select, combine, and refine hybrid models, whilst gradient descent handles parameter fitting. The proposed LEADS designs every candidate model towards physically grounded, interpretable, and numerically stable, while allowing open-ended architectural discovery. We validate LEADS on synthetic data with three ground-truth reaction models and on real cardiac EP data, demonstrating that it outperforms both human-designed hybrid models and other LLM-based hybrid modeling.

10.
arXiv (CS.AI) 2026-06-12

Emotional regulation improves deep learning-based image classification

arXiv:2606.13081v1 Announce Type: cross Abstract: Emotion significantly influences cognition, enhancing memory and learning under certain conditions. Drawing on this principle, emotion-augmented deep learning investigates how affective states can improve neural network architectures and learning paradigms, achieving better generalization than non-emotional models. However, existing methods often rely solely on objective neurophysiological factors, neglecting the role of subjectivity in emotion. To bridge this gap, the present study introduces Emotional Regulation, a novel framework for modeling emotion in deep learning through artificial subjective experience. The method employs pre-training based on affective stimuli, balancing non-emotional and emotionally-influenced responses in downstream task optimization. Extensive experimentation was conducted in image classification, pre-training ResNet and ViT architectures on four emotional datasets, using CIFAR-10 and -100 as target benchmarks. Results reveal improvements over the aforementioned backbones, providing evidence of Emotional Regulation as a promising method for defining emotion-augmented deep learning through artificial subjective experience. Furthermore, the proposed approach overcomes the related work in image classification based on CIFAR, revealing Emotional Regulation as the new state-of-the-art in emotion-augmented deep learning for large-scale vision datasets. The study also enforces evidence of the impact of affective states in improving machine learning tasks' optimization, encouraging further investigation on emotion-inspired architectures.

11.
arXiv (quant-ph) 2026-06-17

Tensor network compression using fluid dynamics as a testbed: Analytical foundations in one dimension

arXiv:2606.17064v1 Announce Type: cross Abstract: High performance computers produce extreme-scale data sets that require sampling or compression if they are to be used to their full potential. Existing data compression techniques typically exploit features such as sparsity in the data, homogeneity in the data, or {\it a priori} knowledge of what subsets of data are of most interest. Fluid dynamics data in general do not exhibit these features and so are attractive test beds for generic compression techniques that are objective, robust, and tuneable with respect to information lost due to compression. Presented here is a method based on tensor networks, specifically matrix product states or tensor trains, that meets these requirements. The method is demonstrated for compression in one-dimension and is extensible to higher dimensionality. Lossless compression is demonstrated for random Fourier series for sufficiently high bond dimension of the tensor network, with the memory required to store the tensor network scaling directly proportional to the bond dimension. The lossy compression exhibited at lower bond dimension can be well within the relative error of many fluid simulations. The compression algorithm is tested for the time evolution of Burger's equation with excellent results. We additionally demonstrate the capability to perform computations in the compressed form through a tensor network periodic convolution that can be orders of magnitude faster than using fast Fourier transforms and the convolution theorem. In addition to being an attractive method for working with data sets generated by existing computers, the tensor network methods utilised are directly translatable to the emerging paradigm of quantum computing.

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

Differentiable Packing of Irregular 3D Objects with Adaptive Container Estimation

Most existing approaches either fix the container in advance or optimize only a single container dimension through an outer search loop, leaving the remaining dimensions as a manual tuning problem. We present a differentiable packing framework that jointly optimizes all 6N object pose parameters and all three container side lengths inside a single gradient-based loop. The formulation combines six physics-inspired, differentiable loss terms computed directly on triangle meshes through axis-aligned bounding-box proxies. An adaptive squeezing mechanism periodically tightens the container whenever the overlap loss falls below a pair-count-scaled threshold, producing a large initial drop in container volume, followed by small refinements. All pairwise computations are written in tensor-broadcasting form, giving a 3.4 to 54 times speedup over a reference loop-based implementation. The pipeline is implemented in Python and PyTorch, with no physics engine, FFT library, or convex decomposition. On multiple object categories, the method produces containers that are 11 to 32 percent smaller than time-matched DBLF and simulated-annealing baselines at N =100, while running in under 4 minutes per instance on a single consumer GPU.

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

Flood Mapping from RGB imagery using a Vision Foundation Model

Timely, high-resolution maps of flood extent around settlements are essential for emergency response and damage assessment. We consider airborne RGB imagery for flood mapping as it can be collected rapidly at low cost. To produce flood maps, deep learning models for water segmentation are often used. CNN based and small vision transformer models are used. However, they need much data for adaptation to a change of scenery, i.e., another flooding event. Vision foundation models or large vision transformers are known to generalize across domains. Recently, foundation models for Earth observation became available. They are pretrained on satellite data, whose spatial resolution, viewing geometry, and radiometry differ from nadir RGB imagery. Thus, adaptation is required. We investigate how a satellite-pretrained Earth observation foundation model can be adapted to centimeter-scale floodwater mapping from RGB imagery. Specifically, we fine-tune a model we call Prithvi-2.0-UPN consisting of the Prithvi-EO-2.0-600M Vision Transformer combined with a UPerNet decoder for binary water segmentation on two RGB datasets (BlessemFlood21, NeuenahrFlood). In a first experiment we observe that Prithvi-2.0-UPN reaches state-of-the-art results on BlessemFlood21 and NeuenahrFlood, when trained on their datasets. In a second experiment we show that Prithvi-2.0-UPN performs better than state-of-the-art baseline models for transfer to a new flood event (trained on BlessemFlood21, tested on NeuenahrFlood) in a zero-shot setting. However, the performance indicates room for improvement. In this respect, we investigate in a third experiment how performance improves when further fine-tuning the models with small shares of NeuenahrFlood training data: Prithvi-2.0-UPN improves the fastest and reaches almost the performance level when fully trained on NeuenahrFlood, indicating transfer capabilities.

14.
arXiv (math.PR) 2026-06-24

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

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

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

LearnOpt: Recovering the Latent Cognitive Structure of Standardized Examinations via Knowledge Graphs and Constrained Optimization

arXiv:2606.15349v1 Announce Type: cross Abstract: Standardized examinations are typically treated as uniform syllabus coverage problems. We argue they are better understood as adversarial systems with stable latent cognitive structures diverging systematically from official syllabi. We introduce LearnOpt, which recovers this structure from historical question papers and generates personalized, time-bounded study plans. Applied to nine years of NEET questions (2016-2024, n=1,496), LearnOpt builds an exam knowledge graph from LLM-tagged questions, extracts a five-category latent skill distribution, and formulates study planning as a knapsack-variant optimization over prerequisite-aware subgraphs with Bayesian Knowledge Tracing. Central finding: NEET's latent skill distribution is stable within a syllabus regime (consecutive-year KL divergence 0.004-0.032 for 2016-2021, non-significant under permutation testing) but shifts significantly with NCERT's 2023 syllabus rationalization: pooling 2016-2021 (n=1,072) vs 2023-2024 (n=392) gives KL=0.040 (p=0.0005), with Elimination/Negation questions rising from ~20-29% to ~31-35%. Latent structure, while not permanently stationary, is piecewise stable, with shifts detectable and attributable to curricular events. Within either regime, subject predicts skill profile more strongly than year. An optimization evaluation, using one real and two synthetic mastery profiles, shows the skill-weighted objective produces a modest but real reordering of recommended topics over a mastery-conditioned frequency baseline. Applying the pipeline to JEE Advanced reveals a profile dominated by Multi-concept Integration (80.9% vs. 33.3% for NEET), with a JEE-vs-NEET divergence (KL=0.505) exceeding NEET's largest cross-subject divergence: exam tier shapes latent cognitive structure more than subject, which shapes it more than time within a regime. Code, knowledge graph, and annotated dataset are released publicly.

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

Hellinger Multimodal Variational Autoencoders

arXiv:2601.06572v4 Announce Type: replace-cross Abstract: Multimodal variational autoencoders (VAEs) are widely used for weakly supervised generative learning with multiple modalities. Predominant methods aggregate unimodal inference distributions using either a product of experts (PoE), a mixture of experts (MoE), or their combinations to approximate the joint posterior. In this work, we revisit multimodal inference through the lens of probabilistic opinion pooling, an optimization-based approach. We start from Hölder pooling with $\alpha=0.5$, which corresponds to the unique symmetric member of the $\alpha-divergence$ family, and derive a moment-matching approximation, termed Hellinger. We then leverage such an approximation to propose HELVAE, a multimodal VAE that avoids sub-sampling, yielding an efficient yet effective model that: (i) learns more expressive latent representations as additional modalities are observed; and (ii) empirically achieves better trade-offs between generative coherence and quality, outperforming state-of-the-art multimodal VAE models.

17.
medRxiv (Medicine) 2026-06-17

County Year Informatics Model for Annual and Cumulative Unique Lung Cancer Screening Eligibility in Maryland, 2026 to 2045

Purpose: Population-level lung cancer screening programs require denominators that reflect age, smoking history, geography, and changing eligibility over time. We estimated annual prevalent and 20-year cumulative unique low-dose computed tomography screening eligibility for Maryland residents under alternative screening criteria. Methods: We built a deterministic cohort-cell stock-flow simulation using Maryland county-equivalent jurisdiction projections by age, sex, and race/ethnicity, with ACS socioeconomic/nativity covariates and smoking-history priors for ever-smoked status, pack-years, and quit-years. Scenarios included USPSTF 2013 legacy, USPSTF 2021, ACS 2023/2024, a risk-model-expanded sensitivity, and ever-smoked-only capacity stress tests. Cumulative unique eligibility counted people once at first eligibility rather than summing annual prevalent person-years. Results: Under USPSTF 2021, an estimated 238,346 Maryland residents were eligible in 2026 and 245,326 in 2045. The 20-year cumulative unique denominator was 768,668, whereas naively summing annual prevalent counts produced 4,850,735 person-years, a 6.31-fold overcount. ACS 2023/2024 expanded annual eligibility to 314,616 in 2026 and cumulative unique eligibility to 902,796 by adding remote former smokers. Ever-smoked-only adult eligibility was 1,957,699 in 2026 and 3,383,683 cumulative unique over 20 years. Conclusion: A Maryland statewide screening initiative should plan from cumulative unique eligibility and county-equivalent jurisdiction-specific burden rather than annual prevalence alone. Explicit pack-year and quit-year modeling materially changes statewide and county allocation compared with current-smoking proxy models.

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

Disentangling Dynamical Systems: Causal Representation Learning Meets Local Sparse Attention

arXiv:2603.14483v2 Announce Type: replace Abstract: Parametric system identification methods estimate the parameters of explicitly defined physical systems from data. Yet, they remain constrained by the need to provide an explicit function space, typically through a predefined library of candidate functions chosen via available domain knowledge. In contrast, deep learning can demonstrably model systems of broad complexity with high fidelity, but black-box function approximation typically fails to yield explicit descriptive or disentangled representations revealing the structure of a system. We develop a novel identifiability theorem, leveraging causal representation learning, to uncover disentangled representations of system parameters without structural assumptions. We derive a graphical criterion specifying when system parameters can be uniquely disentangled from raw trajectory data, up to permutation and diffeomorphism. Crucially, our analysis demonstrates that global causal structures provide a lower bound on the disentanglement guarantees achievable when considering local state-dependent causal structures. We instantiate system parameter identification as a variational inference problem, leveraging a sparsity-regularised transformer to uncover state-dependent causal structures. We empirically validate our approach across four synthetic domains, demonstrating its ability to recover highly disentangled representations that baselines fail to recover. Corroborating our theoretical analysis, our results confirm that enforcing local causal structure is often necessary for full identifiability.

19.
bioRxiv (Bioinfo) 2026-06-17

Correcting spatial transcriptomics data affected by a prevalent transcript leakage problem across platforms, species, and tissues

Spatial transcriptomics has been widely applied to study the spatial distribution of cell types, cell states, and specific gene expression in tissue samples. However, we show that there is a prevalent transcript leakage problem in spatial transcriptomics data, where transcripts expressed by a cell diffuse to its neighborhood and are recurrently detected in the nearby cells. By analyzing published data sets, we show that this problem is general across data produced from different tissues and different species using different imaging-based and sequencing-based spatial transcriptomics platforms. It affects both upstream tasks such as expression quantification as well as downstream tasks such as cell-type annotation and detection of spatially-dependent gene expression. To tackle the transcript leakage problem, we propose a reference-free Bayesian model-based method, DeLeakage, which cleans up the data much more effectively than existing denoising methods. DeLeakage also improves cell-type annotation and avoids false detection of spatially dependent expression.

20.
arXiv (CS.AI) 2026-06-12

Improving Crash Frequency Prediction from Simulated Traffic Conflicts Using Machine Learning Based Microsimulation

arXiv:2606.12500v1 Announce Type: cross Abstract: Traffic microsimulation combined with surrogate safety measures has increasingly been used as a proactive alternative to historical crash data for predicting crash frequency for current or planned road infrastructure designs. However, existing microsimulation-based safety studies have adopted simplified rule-based behaviour models, which reproduce traffic flow reasonably well but often fail to generate realistic conflict dynamics, limiting crash prediction accuracy. Recent advances in machine learning (ML)-based behaviour models offer a promising opportunity to potentially improve microsimulation realism and crash frequency predictions by learning human driving behaviour directly from large-scale trajectory datasets. To investigate this possibility, traffic microsimulation was conducted for five real-world signalised intersections in Leeds, UK, using both a standard rule-based model and a state-of-the-art ML model. Simulated vehicle trajectories were analysed using a two-dimensional Time-to-Collision metric to identify simulated conflicts, which were then modelled using Extreme Value Theory to predict crash frequency. Results show that conflicts from the ML model yielded crash predictions in line with the real-world crash data, whereas the rule-based model did not permit meaningful predictions, presumably due to a lack of model calibration to the specific simulated intersections. Directly using ML-generated simulated crashes to predict real-world crash frequency also yielded poor results, suggesting that while current ML models can realistically reproduce conflicts, they are not yet able to generate realistic crashes. Overall, the findings demonstrate that ML-based behaviour models are promising for improving crash prediction from simulated conflicts, without a need for location-specific model calibration, and suggest clear future directions for ML-based traffic microsimulation.

21.
arXiv (CS.LG) 2026-06-12

The Metric Picks the Winner: Evaluation Choice Flips Model Rankings for Drug-Response Prediction in Unseen Chemistry

arXiv:2606.12639v1 Announce Type: new Abstract: Predicting how a cell's transcriptome responds to a drug it has never seen is a core, hard problem in computational cell biology: recent benchmarks show complex models often fail to beat trivial baselines once test compounds are held out by chemistry. We study one cell line and assay, THP-1 cells profiled by DRUG-seq, scored by the active-compound weighted MSE(wMSE) of the VCPI prediction contest. We propose a staged approach: dumb baselines (untreated control and mean training-compound response) that the field keeps failing to beat; non-parametric retrieval (a Tanimoto-weighted average of a held-out compound's nearest training compounds); and a fusion stage combining a frozen chemistry embedding with retrieval-support features to predict the residual over the mean, with an uncertainty head and gene programs. On the released VCPI THP-1 drug-seq data (14,026 training compounds), under a Bemis-Murcko scaffold split, the model ranking inverts depending on the metric. Under an inverse-variance per-gene proxy, a regularized linear regression on Morgan fingerprints appears to win over the deep models, retrieval, and ChemBERTa – the textbook "simple baselines win" result. But under the contest's true active-set metric (per-(gene, compound) Mejia weights, validated against the official scorer; mean baseline 0.535 vs the organizers' 0.507 reference), that reverses: the deep models win, our fusion decoder significantly beats the linear fingerprint baseline (-0.012 wMSE, paired bootstrap p < 10^-4), and the proxy's winner becomes the worst chemistry-aware predictor. Picking the metric picks the winner – to our knowledge the first demonstration on real held-out drug chemistry of the metric-calibration effect established largely on genetic perturbation. We release a reproducible pipeline wired to the official scorer that emits a valid submission over the real 1064 x 12,995 grid.

22.
arXiv (CS.LG) 2026-06-15

Traditional machine learning vs. deep learning from dynamic graph representations of proteins' 3D folds in the task of protein structure classification

arXiv:2605.29228v2 Announce Type: replace Abstract: Protein structure classification (PSC) uses supervised learning to predict a protein's CATH/SCOP(e) class from the protein's sequence or 3D structural feature(s). We already modeled 3D structures as (static) protein structure networks (PSNs), demonstrating the competitiveness of PSN-based features to sequence or direct (i.e. non-network) 3D structural features in the PSC task. More recently, we demonstrated the power of features extracted from dynamic PSNs over features extracted from static PSNs (and thus by transitivity over sequence and direct 3D structural features) in the same task. That dynamic PSN approach used traditional machine learning (ML), combining manual (pre-engineered) features with an off-the-shelf classifier. Here, we evaluate whether automatic deep learning (DL) from the dynamic PSNs yields improvements. Our evaluation on 72 datasets spanning ~44,000 CATH- or SCOPe-labeled dynamic PSNs reveals that in terms of PSC accuracy, traditional ML and DL are (close to) tied for a large majority of the datasets, while DL is on average 10+ times slower. We are the first to evaluate traditional ML vs. DL in the dynamic PSN-based PSC task.

23.
arXiv (math.PR) 2026-06-16

Asymptotic behavior of some strongly critical decomposable 3-type Galton–Watson processes with immigration

arXiv:2406.09852v2 Announce Type: replace Abstract: We study the asymptotic behavior of a critical decomposable 3-type Galton-Watson process with immigration when its offspring mean matrix is triangular with diagonal entries 1. It is proved that, under second or fourth order moment assumptions on the offspring and immigration distributions, a sequence of appropriately scaled random step processes formed from such a Galton-Watson process converges weakly. The limit process can be described using independent squared Bessel processes $({\mathcal X}_{t,1})_{t\geq0}$, $({\mathcal X}_{t,2})_{t\geq0}$, and $({\mathcal X}_{t,3})_{t\geq0}$, the linear combinations of the integral processes of $({\mathcal X}_{t,1})_{t\geq0}$ and $({\mathcal X}_{t,2})_{t\geq0}$, and possibly the 2-fold iterated integral process of $({\mathcal X}_{t,1})_{t\geq0}$. The presence of the 2-fold iterated integral process in the limit distribution is a new phenomenon in the description of asymptotic behavior of critical multi-type Galton-Watson processes with immigration. Our results complete and extend some results of Foster and Ney (1978) for some strongly critical decomposable 3-type Galton-Watson processes with immigration.

24.
arXiv (CS.CL) 2026-06-11

Models That Know How Evaluations Are Designed Score Safer

The validity of AI safety evaluations depends on models behaving consistently across controlled and deployment settings. Prior work has identified test-time contextual cues, such as hypothetical scenarios, as a source of verbalized evaluation awareness and subsequent behavioral shift. In this paper, we investigate a potential explanation of this phenomenon: evaluation meta-knowledge, defined as parametric knowledge about the structural traits that characterize evaluations. Similar to dataset contamination, where benchmark exposure leads to higher performance through memorization, we hypothesize that models trained on texts describing evaluation practices may implicitly learn to recognize and respond to evaluation-like contexts, for instance, through exposure to scientific articles or social media posts about AI benchmarking. To test this, we fine-tune models on synthetic documents describing evaluation traits such as verifiable structures or moral dilemmas. Evaluating this fine-tuned model on six safety benchmarks, we find that it is significantly safer than the base model and control model. This behavioral shift persists even when restricting the analysis to responses lacking explicit verbalization of evaluation awareness. Our results demonstrate that evaluation meta-knowledge may inflate safety benchmark performance, introducing a novel confounder that is independent of explicit memorization or verbalized evaluation awareness, thus, challenging to detect. These findings have important implications for the design and interpretation of AI safety evaluations. Our code and models are available at https://github.com/compass-group-tue/arxiv2026_evaluation_meta_knowledge.

25.
arXiv (CS.LG) 2026-06-16

Constraining the outputs of ReLU neural networks

arXiv:2508.03867v2 Announce Type: replace-cross Abstract: We introduce a class of algebraic varieties naturally associated with ReLU neural networks, arising from the piecewise linear structure of their outputs across activation regions in input space, and the piecewise multilinear structure in parameter space. By analyzing the rank constraints on the network outputs within each activation region, we derive polynomial equations that characterize the functions representable by the network. We further investigate conditions under which these varieties attain their expected dimension, providing insight into the expressive and structural properties of ReLU networks.