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01.
bioRxiv (Bioinfo) 2026-06-16

Programmatic access to ICTV virus taxonomy through a public ontology API

The International Committee on Taxonomy of Viruses (ICTV) is responsible for developing and maintaining a universal virus taxonomy. As the reference framework for organising the viral world, it is essential for virology and related fields. Despite its widespread use in research and public health, programmatic access to ICTV taxonomy has remained limited, posing challenges for integration, versioning, and interoperability across databases and bioinformatics resources requiring up-to-date virus taxonomy. To address this, we developed a public and sustainable solution leveraging ontology-based APIs. Successive ICTV Master Species List (MSL) releases were transformed into a structured ontology and deployed as a unified representation through the Ontology Lookup Service (OLS). The framework also provides ICTV-NCBI mappings and helper libraries for integration into downstream systems. This enables, for the first time, public programmatic retrieval of current and historical virological taxon names, taxonomic relationships, metadata, and persistent identifiers through stable endpoints. More broadly, this work illustrates a general strategy for transforming structured biological datasets into semantically enriched graph resources exposed through scalable public APIs. These developments enhance interoperability, reduce manual curation, and support FAIR-aligned taxonomic data management in virology and pandemic preparedness.

02.
arXiv (CS.AI) 2026-06-16

Knowledge-Based Zero-Replay Debugging of Multi-Agent LLM Traces

arXiv:2606.14805v1 Announce Type: cross Abstract: Reliable operation of multi-agent large language model (LLM) systems depends on debugging long execution traces, where the few causally decisive events are buried in unstructured logs of messages, routes, memory writes, and tool calls. The standard tool is counterfactual replay (rewind, edit, and re-run the trajectory to measure each event's effect), but its cost grows linearly with the number of candidate events, making exhaustive replay infeasible at scale. We frame trace debugging as a knowledge-based decision-support problem. Each trace is compiled into a structured event knowledge graph over routing, memory, tool-use, uncertainty, and latent evidence, and a calibrated predictor decides where a scarce replay budget should be spent. We do not propose a new replay oracle; we propose a method to predict its results without paying the replay cost. We formulate zero-replay counterfactual-effect prediction: given a trace under a fixed budget, predict which events the oracle would mark high-effect before any replay is performed. BranchPoint-Latent is a lightweight predictor over observable, structural, uncertainty, and latent features of the knowledge graph. Calibrated against a deterministic replay oracle across 37 trace families, a single learning-to-rank gradient-boosted predictor raises per-trace localization (Branch Recall@5) from 0.73 to 0.93 on held-out families at zero oracle-replay cost. Rather than claiming universal dominance, we characterize when cheap graph centrality suffices and when learned evidence is necessary. The result is an auditable, cost-efficient decision-support system for AI-reliability debugging, positioned explicitly on the cost-accuracy frontier with reproducible artifacts.

03.
arXiv (quant-ph) 2026-06-25

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

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

04.
bioRxiv (Bioinfo) 2026-06-24

BATTLE-AMP: Benchmarking Antimicrobial Peptide Predictors

As antimicrobial resistance outpaces antibiotic development, antimicrobial peptides (AMPs) have emerged as a promising class of alternative antibacterials, and computational predictors are increasingly used to prioritize AMP candidates. Such predictors are typically evaluated on binary AMP/non-AMP classification, which does not test whether they can identify peptides with clinically relevant potency against specific pathogens. We present BATTLE-AMP, a benchmarking framework that evaluates AMP predictors against experimentally measured minimum inhibitory concentrations (MICs) across clinically relevant bacterial species and strains. We surveyed 48 published methods, finding fewer than 25% reproducible, and benchmarked 10 model families (21 variants) using experimental MIC data, synthetic sequence perturbations, activity cliff analyses, and all-atom molecular dynamics (MD) simulations. Four findings emerge: (i) models trained on MIC data outperform binary classifiers regardless of architecture; (ii) the best model depends on the target pathogen, so model selection must be guided by the biological question; (iii) most models cannot distinguish active peptides from inactive sequences with identical amino acid composition; and (iv) activity cliffs remain unresolved by both machine learning and MD, marking a limit of current computational methods. BATTLE-AMP is released as an open Snakemake framework at https://github.com/szczurek-lab/battleamp-snakemake for benchmarking new models and scoring novel candidate libraries.

05.
arXiv (CS.AI) 2026-06-15

COGNITION: From Evaluation to Defense against Multimodal LLM CAPTCHA Solvers

arXiv:2512.02318v4 Announce Type: replace-cross Abstract: This paper studies how multimodal large language models (MLLMs) undermine the security guarantees of visual CAPTCHA. We identify the attack surface where an adversary can cheaply automate CAPTCHA solving using off-the-shelf models. We evaluate 7 representative MLLMs on 18 real-world CAPTCHA task types, measuring single-shot accuracy, success under limited retries, end-to-end latency, and per-solve cost. We further validate our findings through a supplemental external dataset and an adaptive-attacker setting with session memory, while also analyzing the impact of task-specific prompt engineering and few-shot demonstrations on solver effectiveness. We reveal that MLLMs can reliably solve recognition-oriented and low-interaction CAPTCHA tasks at human-like cost and latency, whereas tasks requiring fine-grained localization, multi-step spatial reasoning, or cross-frame consistency remain significantly harder for current models. By examining the reasoning traces of such MLLMs, we investigate the underlying mechanisms of why models succeed/fail on specific CAPTCHA puzzles and use these insights to derive defense-oriented guidelines for selecting and strengthening CAPTCHA tasks. To validate these principles, we present a proof-of-concept by hardening a vulnerable CAPTCHA type using our guidelines. We demonstrate that incorporating fine-grained localization and implicit counting reduces the success rate of state-of-the-art MLLMs from over 95\% to 0\%, confirming that structural changes can effectively mitigate the threat. We conclude by emphasizing the urgent need for CAPTCHA redesign as MLLM capabilities increasingly threaten existing defenses. Code Availability (https://doi.org/10.5281/zenodo.20406852).

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

Bi-qutrit entangled edge states of positive partial transposes with largest ranks

arXiv:2606.16265v1 Announce Type: new Abstract: Whenever $E$ is an eight dimensional subspace of the bi-qutrit quantum system whose orthogonal complement is spanned by a vector of Schmidt rank three, we show that there exist PPT entangled edge states with the range space $E$ whose partial transposes are of rank six, which is the largest possible rank. In this way, we exhibit a huge family of bi-qutrit PPT entangled edge states of type $(8,6)$. They make faces of the convex set of all PPT states, and we find bi-qutrit PPT entangled edge states of other types on the boundaries of such faces.

07.
arXiv (CS.AI) 2026-06-12

Echo2ECG: Enhancing ECG Representations with Cardiac Morphology from Multi-View Echos

arXiv:2603.08505v2 Announce Type: replace-cross Abstract: Electrocardiography (ECG) is a low-cost, widely used modality for diagnosing electrical abnormalities like atrial fibrillation by capturing the heart's electrical activity. However, it cannot directly measure cardiac morphological phenotypes, such as left ventricular ejection fraction (LVEF), which typically require echocardiography (Echo). Predicting these phenotypes from ECG would enable early, accessible health screening. Existing self-supervised methods suffer from a representational mismatch by aligning ECGs to single-view Echos, which only capture local, spatially restricted anatomical snapshots. To address this, we propose Echo2ECG, a multimodal self-supervised learning framework that enriches ECG representations with the heart's morphological structure captured in multi-view Echos. We evaluate Echo2ECG as an ECG feature extractor on two clinically relevant tasks that fundamentally require morphological information: (1) classification of structural cardiac phenotypes across three datasets, and (2) retrieval of Echo studies with similar morphological characteristics using ECG queries. Our extracted ECG representations consistently outperform those of state-of-the-art unimodal and multimodal baselines across both tasks, despite being 18x smaller than the largest baseline. These results demonstrate that Echo2ECG is a robust, powerful ECG feature extractor. Our code is accessible at https://github.com/michelleespranita/Echo2ECG.

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

Learning the Koopman Operator using Attention Free Transformers

arXiv:2606.23957v1 Announce Type: new Abstract: Learning Koopman operators with autoencoders enables linear prediction in a latent space, but long-horizon rollouts often drift off the learned manifold, leading to phase and amplitude errors on systems with switching, continuous spectra, or strong transients. We introduce two complementary components that make Koopman predictors more robust. First, we add an attention-free latent memory (AFT) block that aggregates a short window of past latents to produce a corrected latent before each Koopman update. Unlike multi-head attention, AFT operates in linear time and adds only $\approx$30k parameters ($3d^2 + T^2$, fewer than matched multi-head attention), yet captures the local temporal context needed to suppress error divergence. Second, we propose dynamic re-encoding: lightweight, online change-point triggers (EWMA, CUSUM, and sequential two-sample tests) that detect latent drift and project predictions back onto the autoencoder manifold. Across three benchmark systems – Duffing oscillator, Repressilator, IRMA – our model consistently reduces error accumulation compared to a Koopman autoencoder and matched-capacity multi-head attention. We also compare against GRU and Transformer autoencoders, evaluated both from initial conditions and with a 50-step context, and find that Koopman+AFT (with optional re-encoding) attains markedly lower long-horizon error while maintaining lower inference latency. We report improvements over horizons up to 1000 steps, together with ablations over trigger policies. The result is a fast, compact predictor that stays on the learned manifold over long horizons.

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

ThinkJEPA: Empowering Latent World Models with Large Vision-Language Reasoning Model

Recent progress in latent world models (e.g., V-JEPA2) has shown promising capability in forecasting future world states from video observations. Nevertheless, dense prediction from a short observation window limits temporal context and can bias predictors toward local, low-level extrapolation, making it difficult to capture long-horizon semantics and reducing downstream utility. Vision–language models (VLMs), in contrast, provide strong semantic grounding and general knowledge by reasoning over uniformly sampled frames, but they are not ideal as standalone dense predictors due to compute-driven sparse sampling, a language-output bottleneck that compresses fine-grained interaction states into text-oriented representations, and a data-regime mismatch when adapting to small action-conditioned datasets. We propose a VLM-guided JEPA-style latent world modeling framework that combines dense-frame dynamics modeling with long-horizon semantic guidance via a dual-temporal pathway: a dense JEPA branch for fine-grained motion and interaction cues, and a uniformly sampled VLM thinker branch with a larger temporal stride for knowledge-rich guidance. To transfer the VLM's progressive reasoning signals effectively, we introduce a hierarchical pyramid representation extraction module that aggregates multi-layer VLM representations into guidance features compatible with latent prediction. Experiments on hand-manipulation trajectory prediction show that our method outperforms both a strong VLM-only baseline and a JEPA-predictor baseline, and yields more robust long-horizon rollout behavior.

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

Auto-Configured Explainable Graph Neural Networks for Multi-Site Pollution Prediction

arXiv:2606.24978v1 Announce Type: new Abstract: Accurate particulate matter (PM) prediction is crucial for mitigating air pollution. Graph Neural Networks (GNNs) effectively model spatiotemporal dependencies, but predefined graphs limit adaptability, and some datasets complicate learning. This study introduces a graph construction method based on a confusion matrix from a supervised learning process to dynamically capture inter-class relationships. Additionally, a hybrid loss function that combines energy distance and Huber loss is applied to address the vanishing gradient problem and improve learning stability. The approach is evaluated using air pollution data from the University of Utah AirU Pollution Monitoring Network in Salt Lake City, UT, with five GNN models: Graph Convolutional Networks (GCNs), Simple Graph Convolutional Networks (SGConv), Graph Isomorphism Networks (GINs), Graph Attention Networks (GATs), and GraphSage. The experimental results of single- and multistep predictions confirm that GraphSage achieves the highest accuracy in predicting the concentrations of PM${1}$, PM${10}$, and PM$_{2.5}$ over different time horizons. Furthermore, {\color{black} GNNExplainer (Graph Neural Network Explainer) and PGExplainer (Probabilistic Graph Explainer)} are applied to interpret feature importance and graph structure, ensuring model transparency. Results show improved prediction accuracy, with GNN models outperforming traditional machine learning \textcolor{black}{and deep learning models (i.e., Prophet, Long short-term memory, Gated recurrent units} in air pollution forecasting.

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

When Helpfulness Overrides Causal Caution: Context-Dependent Suppression and Recovery in LLMs

arXiv:2606.24370v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly integrated into decision-support roles in business and policy contexts. While prior benchmark studies have primarily evaluated LLMs' causal reasoning capabilities, a more fundamental epistemic dimension has been overlooked: Causal Caution, defined as the propensity to refrain from causal judgment when empirical evidence is insufficient. This study examines the systematic suppression of Causal Caution that occurs when LLMs shift from academic to practical advisory contexts. Using an evaluation rubric inspired by Pearl's Causal Hierarchy (the PCH score), we conducted experiments on four high-performance LLMs – Claude Sonnet 4.6, Claude Opus 4.7, GPT 5.5, and Gemini 3.1 Pro – across 480 trials. Causal Caution maintenance rates were 91.7–100.0% in academic contexts but dropped to 6.7–18.3% in practical advisory contexts (Fisher's exact test, p < .001 across all models). Furthermore, when restricted to practical prompts requesting concrete recommendations or explanatory rationales, only 1 of 200 responses (0.5%) maintained Causal Caution. A brief self-correction prompt – "Please reconsider this judgment from the perspective of causal relationships" – restored the expression of Causal Caution to maintenance rates of 71.4–100.0% (McNemar's test, p < .001 across all models). These results suggest that helpfulness-oriented response patterns may suppress the expression of Causal Caution in practical advisory contexts, with important implications for organizational governance. The findings indicate that this suppression reflects context-dependent variation in expression rather than an underlying capability limitation, suggesting that multi-agent architectures that separate proposal generation from causal auditing may offer a promising governance design.

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

Group-Sparse Matrix Factorization for Transfer Learning of Word Embeddings

Unstructured text provides decision-makers with a rich data source in many domains, ranging from product reviews in retail to nursing notes in healthcare. To leverage this information, words are typically translated into word embeddings – vectors that encode the semantic relationships between words – through unsupervised learning algorithms such as matrix factorization. However, learning word embeddings from new domains with limited training data can be challenging, because the meaning/usage may be different in the new domain, e.g., the word ``positive'' typically has positive sentiment, but often has negative sentiment in medical notes since it may imply that a patient tested positive for a disease. In practice, we expect that only a small number of domain-specific words may have new meanings. We propose an intuitive two-stage estimator that exploits this structure via a group-sparse penalty to efficiently transfer learn domain-specific word embeddings by combining large-scale text corpora (such as Wikipedia) with limited domain-specific text data. We bound the generalization error of our transfer learning estimator, proving that it can achieve high accuracy with substantially less domain-specific data when only a small number of embeddings are altered between domains. Furthermore, we prove that all local minima identified by our nonconvex objective function are statistically indistinguishable from the global minimum under standard regularization conditions, implying that our estimator can be computed efficiently. Our results provide the first bounds on group-sparse matrix factorization, which may be of independent interest. We empirically evaluate our approach compared to state-of-the-art fine-tuning heuristics from natural language processing.

13.
arXiv (CS.LG) 2026-06-15

DTVEM-RE: A Hierarchical Random-Effects Extension of the Differential Time-Varying Effect Model for Person-Specific Multi-Lag Estimation in Intensive Longitudinal Data

arXiv:2606.14116v1 Announce Type: new Abstract: The Differential Time-Varying Effect Model (DTVEM) of Jacobson et al. (2019) is a popular tool for finding the best time lag in intensive longitudinal data, but it assumes everyone shares the same lag structure. The original authors named fixing this as future work, and it clashes with the premise of modern clinical research, which is that people differ. We present DTVEM-RE, an extension that lets each person have their own lag coefficients, with two versions of the confirmatory step: a discrete-time hierarchical Bayesian VAR in Stan, which pools across people and gives calibrated uncertainty, and a continuous-time per-person Ornstein-Uhlenbeck model in ctsem, which handles unevenly spaced beeps directly. We report four results. A simulation shows the Bayesian version recovers the between-person spread tau_a with bias below 0.01 and coverage of 90 to 93 percent. On the Fisher et al. (2017) EMA dataset (N=40), person-specific lag-1 effects vary by an order of magnitude across three mood items, the Bayesian and GAMM estimates agree closely (r=0.87 to 0.92), and DTVEM-RE gives the best one-step-ahead prediction among four discrete-time methods. A multi-lag version shows all nine tau_k values have credible intervals excluding zero, and the lag where people differ most changes across items, something lag-1-only methods like mlVAR cannot detect. Finally, the two versions agree almost exactly on person-specific lag-1 estimates (r >= 0.995), differing only as shrinkage predicts. DTVEM-RE is, to our knowledge, the first person-specific implementation of DTVEM-style lag detection, and it contains standard DTVEM as a special case.

14.
arXiv (CS.AI) 2026-06-17

Agentic Discovery of Non-Canonical Antimicrobial Peptides with AMPGAN v3

arXiv:2606.17127v1 Announce Type: cross Abstract: Antimicrobial resistance causes to over a million deaths annually. Antimicrobial peptides (AMPs) are a promising solution, but generative AMP models are not yet ready to design peptides with non-natural amino acids and/or chemical modifications, which are essential for real-world peptide drugs. We present AMPGAN v3, a multi-objective conditional GAN that expands the generative vocabulary to D-amino acids and N/C-terminus modifications such as amidation. By separating adversarial and activity-aware supervision across two specialized discriminators, AMPGAN v3 substantially improves training stability and outperforms prior generative AMP models on external classifiers. We validated five candidates spanning three structural classes in vitro; two showed activity against Gram-positive strains, with the best candidate reaching MIC 8 {\mu}g/mL against B. subtilis. To support downstream curation, we further present PepCraft, a multi-agent framework for end-to-end AMP discovery in which a Planning Agent orchestrates specialized executors for generation, filtering, and verification. Its prioritization recommendations align with our in vitro outcomes. Together, these contributions let us examine, on a small but real scale, how generative and agentic AI compose in therapeutic peptide discovery. Code: https://github.com/marszzibros/AMPGANv3

15.
arXiv (CS.LG) 2026-06-25

Scalable Peptide Design via Memory-Efficient Equivariant Transformer

arXiv:2606.25006v1 Announce Type: new Abstract: Target-specific peptide design requires sequence and structure co-design under full atom geometric constraints. Latent generative frameworks offer an effective route for this problem by compressing fine grained atomic structures into block level latent representations and performing conditional generation in a compact latent space. However, the scalability of such systems depends heavily on the geometric backbone used throughout their encoding, decoding, and denoising components. We introduce MEET (Memory Efficient Equivariant Transformer), an E(3) equivariant backbone for scalable atomistic peptide modeling. MEET maintains coupled invariant scalar and equivariant vector feature streams, while reformulating geometric computation around memory efficient attention. It initializes vector features through global coordinate aggregation, incorporates pairwise distances through augmented query and key dot products, and injects covalent bond information through sparse bond adaptation. Integrated into a VAE and latent diffusion pipeline for full atom peptide generation, \model{} achieves linear memory scaling with atom count and improves generation quality over existing peptide design methods. Experiments on large scale AFDB derived datasets further show that the proposed backbone supports systematic model and data scaling, leading to better binding affinity, physical validity, and sample diversity.

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

VLADriveBench: Evaluating CoT-Action Relationship in VLA for Autonomous Driving

Vision-language-action (VLA) models generate chain-of-thought (CoT) reasoning alongside driving trajectories, but existing benchmarks evaluate only trajectory quality and do not assess whether the CoT is relevant, consistent, or causally connected to the driving action. We introduce VLADriveBench, a framework that combines observational metrics (mentioning, hallucination, contradiction, action alignment) with a CoT intervention protocol to provide complementary views of the CoT-action relationship. Applying VLADriveBench to three models across two architectures, we find that the two analyses can diverge sharply: ORION scores highest on observational alignment yet its CoT is epiphenomenal, while Alpamayo v1.5 scores lower yet its CoT is strongly causal, with visual salience gating the extent of CoT influence.

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

More Skills, Worse Agents? Skill Shadowing Degrades Performance When Expanding Skill Libraries

arXiv:2605.24050v2 Announce Type: replace-cross Abstract: Skill libraries allow LLM agents to load task-specific instructions on demand, letting non-expert users solve domain-specific tasks through natural language without knowing which skills exist or how they work. However, performance degrades as libraries grow – by up to 21\% when scaling from a small set of helpful skills to a 202-skill library. In this work, we formulate this performance degradation as the pass rate drop between loading a library of known-helpful skills and the full library. Moreover, we propose to decompose the pass rate drop by conditioning on the skill(s) invocation – which skills the agent selects during a trajectory – into two effects: skill shadowing, where the agent selects wrong skills more often as the library expands, and context overhead, where the enlarged context degrades execution even when selection is correct. We derive upper bounds on both effects to characterize their magnitudes of impacts to the pass rate drop. Our empirical estimates of the effects and their upper bounds both show that the skill shadowing effect grows with library size and significantly contributes to the performance degradation, whereas the context overhead effect remains small and indistinguishable from zero. This observed asymmetry establishes that the skill selection failure, not the enlarged context, is the primary bottleneck when expanding the skill libraries.

18.
arXiv (quant-ph) 2026-06-12

Achieving Heisenberg limit under noisy conditions with quantum Zeno dynamics and dynamical decoupling

arXiv:2606.13205v1 Announce Type: new Abstract: Quantum Zeno dynamics (QZD) and dynamical decoupling (DD) are useful tools that enable the effective suppression of noise in quantum systems. We consider the problem of when (i) noise can be suppressed and (ii) Heisenberg limit (HL) can be achieved in quantum metrology, and prove necessary and sufficient conditions for when QZD and DD are useful for achieving these two goals. We also show that in the Markovian regime, there are scenarios where preventing errors using QZD/DD may enable HL to be achieved where current QEC methods may not. Finally, we demonstrate that the combination of both techniques can allow individually imperfect QZD and DD strategies to saturate HL.

19.
PLOS Computational Biology 2026-06-24

A new cancer progression model: From synthetic tumors to real data and back

by Daniela Volpatto, Sandro Gepiro Contaldo, Simone Pernice, Marco Beccuti, Francesca Cordero, Roberta Sirovich Intratumor heterogeneity (ITH) arises from the combined effects of genetic alterations, clonal interactions, and environmental constraints, and plays a central role in therapeutic resistance and disease progression. While ITH has been extensively documented in empirical tumor data, the scientific debate regarding the biological mechanisms underlying this heterogeneity remains complex, highlighting the need for cancer evolution models that are sufficiently flexible and sophisticated to reproduce the observed behaviors and to give insights on the unobserved ones. Here, we present a stochastic modelling framework for tumor evolution that integrates genotypic inheritance with phenotype driven functional traits and resource mediated competition. Mutational events are associated with functional capabilities such as altered proliferation, increased mutation rates, limit evasion potential or enhanced control over shared resources, allowing multiple genotypes to converge on similar phenotypes. The model explicitly tracks subclonal lineages while incorporating environmental constraints that modulate growth and competition. The framework is defined through a mathematically rigorous construction and is accompanied by an efficient simulation algorithm. To facilitate exploration and reproducibility, we provide an open-source graphical user interface that allows users to configure model parameters, run simulations, and inspect clonal genealogies and population dynamics without requiring direct interaction with the underlying code. Using this model, we illustrate how ecological feedbacks can shape clonal dynamics over time, supporting an interpretation in which early tumor growth is dominated by stochastic expansion, while later evolution increasingly reflects selection for traits that alleviate environmental constraints. Rather than constituting a new evolutionary paradigm, this behaviour demonstrates how well-documented biological patterns can emerge naturally from a unified stochastic and ecological description. Overall, our approach offers a flexible and extensible platform for investigating how chance, functional traits, and environmental interactions jointly govern tumor heterogeneity.

20.
bioRxiv (Bioinfo) 2026-06-10

Bias-mitigated microbiome inference refines coronary artery disease signature

Authors:

Roughly half the cells in the human body are microbial, and changes in these communities are increasingly implicated in cardiovascular, metabolic, and oncological diseases. Yet identifying which taxa truly differ in abundance, differential abundance (DA), is distorted by four major sources of bias: loss of total microbial load, taxa measurement efficiencies, arbitrary pseudocounts required to handle pervasive zeros, and contamination which has recently driven retractions. No existing DA method accounts for all four. Here we introduce BootDA, a non-parametric bootstrap-based method that explicitly models each bias source without data transformations, pseudocounts, parametric assumptions, or assuming that most taxa are non-DA. In semi-parametric simulations preserving the sparsity (>70% zeros) and correlation structure of real 16S amplicon data, BootDA achieved the highest sensitivity among tested methods, including ANCOM-BC2, LinDA, MaAsLin 3, and Wilcoxon tests, while controlling the false discovery rate. Performance was retained in low biomass settings when contamination contributed ~50% of counts, and without negative controls, indicating de novo decontamination capability. Applied to a coronary artery disease cohort, BootDA refined the original signature to two co-enriched genera, Klebsiella and Gemmiger, and excluded likely contaminants. BootDA is available as an R package and could generalise to other sparse, high dimensional biological data.

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

Speculative Rollback Correction for Quality-Diverse Web Agent Imitation

arXiv:2606.12485v1 Announce Type: cross Abstract: Training interactive web agents through imitation learning from expert trajectories has emerged as a highly effective approach. However, determining the optimal timing for expert intervention presents a critical challenge in this context. Delayed intervention often leads to the accumulation of early-stage errors, pushing the page state into an irrecoverable regime. Conversely, premature or excessive intervention causes the agent to become overly reliant on expert policies, trapping the model in local optima characterized by a single, rigid trajectory. We propose Speculative Rollback Correction (SRC), a branch-level imitation framework for resettable agent environments. Instead of requesting teacher labels at every visited state or correcting only after a completed trajectory, SRC uses fixed-horizon branch review: the student executes a short speculative segment before teacher review, and the teacher localizes the first harmful deviation only when local progress breaks. Rollback preserves useful prefixes, while successful rollouts are filtered by a hard verifier and retained in a lightweight quality-diversity archive. The resulting data supports next-action supervised fine-tuning on both localized corrections and verifier-passing trajectories. On WebArena-Infinity, SRC collects 977 verifier-passing trajectories and 9,183 next-action examples; fixed-horizon review improves the recovery-versus-query tradeoff over step-level review while retaining verifier-passing solution variants. Code is available at https://github.com/LongkunHao/SRC_gui_agent.

22.
medRxiv (Medicine) 2026-06-24

Computational Decomposition of New Memory Failure in Alzheimer's Disease Through a Hippocampal Cortical Consolidation Bottleneck Model

Alzheimer's disease (AD) is clinically marked by difficulty retaining newly learned information, yet routine memory scores often conflate poor initial encoding with failure to stabilise information after encoding. This ambiguity limits the mechanistic interpretability of cognitive assessment during the transition from mild cognitive impairment to AD. Here we propose a Hippocampal Cortical Consolidation Bottleneck (HCCB) model to computationally separate these two components of new memory failure. The model represents newly presented information as a rapidly formed hippocampal trace and a slowly stabilised cortical trace, predicting a residual bottleneck when delayed recall falls below the level expected from immediate recall. We operationalised this prediction as Consolidation Bottleneck Index*(CBI*), a cognitively normal reference normalised residual index, and evaluated it using Alzheimer's Disease Neuroimaging Initiative (ADNI) cognitive and MRI data, with independent dynamical support from OpenNeuro EEG. Simulations showed recent memory vulnerability when hippocampal vulnerability exceeded cortical vulnerability. In ADNI, CBI* increased from cognitively normal participants to mild cognitive impairment nonconverters, reached Alzheimer like levels in mild cognitive impairment converters, and was associated with hippocampal atrophy. CBI* added minimal discrimination beyond established clinical and structural predictors, supporting its role as a mechanistic phenotype rather than a replacement prognostic model. OpenNeuro EEG further showed increased neurodynamic rigidity in AD. Our findings provide a computational framework for quantifying failed stabilisation of newly encoded information in AD progression.

23.
arXiv (quant-ph) 2026-06-24

Quantum algorithm for Valiant-Vazirani reduction

arXiv:2606.18428v2 Announce Type: replace Abstract: There is growing interest in extensions of the standard model of gate-based quantum computation to include auxiliary degrees of freedom evolving according to a nonlinear Schrödinger equation. By reducing the Boolean satisfiability problem SAT to quantum state discrimination, Abrams and Lloyd argued that the right type of nonlinearity can be used to solve NP and #P problems in polynomial time, at least in an idealized noise-free limit. For practical implementation, however, we are restricted to simulated and emergent nonlinearities, such as that appearing in mean field models for ultracold atoms and similar ensembles. A prominent example is the torsion model, which arises in two-component Bose-Einstein condensates and spin models with all-to-all Ising interaction. But torsion-based state discrimination appears to fall short of solving SAT. Here we close this gap by constructing the filtered oracle of the Valiant-Vazirani theorem, providing a randomized polynomial-time reduction from SAT to UNIQUE SAT, a promise problem where there is at most 1 satisfying assignment. In the noise-free limit, the UNIQUE SAT problem can be solved in polynomial time using torsion nonlinearity. Quantum Valiant-Vazirani reduction is no faster than the efficient classical version, but a fault-tolerant implementation coupled to a nonlinear quantum coprocessor simulating torsion would enable polynomial time solution to NP (but not #P) problems.

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

Equivariant Graph Neural Networks Improve Optical Spectra Prediction for Materials Screening

arXiv:2606.19133v1 Announce Type: cross Abstract: Scalable prediction of optical spectra is a critical component of high-throughput materials screening for optoelectronic applications such as solar cells. Existing surrogate models are trained on spectra computed from lower levels of theory or rely on rotation-invariant scalar features, limiting their geometric expressiveness. We explore the use of equivariant graph neural networks for optical spectra prediction, adapting GotenNet to this task and evaluating it on multiple datasets including a recently published collection of 10,533 structures with spectra computed at the level of the random phase approximation (RPA). The proposed model outperforms the current state of the art, with the largest gains in the 0-8 eV range and on predicting the static real permittivity, both of particular relevance for thin-film optics.

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

MobilityBench: A Benchmark for Evaluating Route-Planning Agents in Real-World Mobility Scenarios

arXiv:2602.22638v2 Announce Type: replace Abstract: Route-planning agents powered by large language models (LLMs) have emerged as a promising paradigm for supporting everyday human mobility through natural language interaction and tool-mediated decision making. However, systematic evaluation in real-world mobility settings is hindered by diverse routing demands, non-deterministic mapping services, and limited reproducibility. In this study, we introduce MobilityBench, a scalable benchmark for evaluating LLM-based route-planning agents in real-world mobility scenarios. MobilityBench is constructed from large-scale, anonymized real user queries collected from Amap and covers a broad spectrum of route-planning intents across multiple cities worldwide. To enable reproducible, end-to-end evaluation, we design a deterministic API-replay sandbox that eliminates environmental variance from live services. We further propose a multi-dimensional evaluation protocol centered on outcome validity, complemented by assessments of instruction understanding, planning, tool use, and efficiency. Using MobilityBench, we evaluate multiple LLM-based route-planning agents across diverse real-world mobility scenarios and provide an in-depth analysis of their behaviors and performance. Our findings reveal that current models perform competently on Basic information retrieval and Route Planning tasks, yet struggle considerably with Preference-Constrained Route Planning, underscoring significant room for improvement in personalized mobility applications. We publicly release the benchmark data, evaluation toolkit, and documentation at https://github.com/AMAP-ML/MobilityBench.