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01.
arXiv (CS.AI) 2026-06-16

An AI Security Agent for University ACMIS: Multi-Vector Threat Detection and Automated Response

arXiv:2606.08270v2 Announce Type: replace-cross Abstract: University Academic Management Information Systems (ACMIS) are high-value targets for a wide spectrum of security threats including brute-force login attacks, payment fraud, privilege escalation, insider data theft, and academic integrity violations. Traditional rule-based intrusion detection systems are inadequate because many malicious activities are structurally indistinguishable from normal operations. This paper presents an AI-based security agent for ACMIS that combines supervised anomaly detection, behavioural analytics, and a natural language processing chatbot for secure password recovery. The agent monitors five operational layers: authentication, authorisation, financial transactions, user behaviour, and system health, and responds through a four-tier risk escalation framework. A modular architecture allows the core engine to be extended to other institutional systems. Experiments on a simulated ACMIS event log dataset of 147,922 sessions demonstrate a threat detection macro-average F1 of 0.966, compared to 0.156 for a rule-based baseline and 0.836 for a sequence-only (LSTM) baseline, with end-to-end critical-tier automated response latency under 1 ms on a single-node prototype. The integrated recovery chatbot achieves 97.1 percent identity verification accuracy and an 87.3 percent mass-reset attack detection rate with zero false positives on legitimate high volume recovery periods.

02.
arXiv (CS.CL) 2026-06-11

Geometric Metrics and LLMs: What They Measure and When They Work

We present a systematic stress-test of geometric metrics for LLM evaluation. Rank-based geometric properties of internal representations have shown promise as reference-free quality signals, but the conditions under which they are reliable remain unclear. We evaluate eight commonly-used metrics: intrinsic-dimensionality estimators, spectral norms, and related quantities across six tester models (0.5-8B) and eight generators on contrasting tasks, separating genuine geometric signal from text-length effects and from what standard text statistics already capture. Three findings emerge. First, some metrics (notably Schatten Norm and MOM) mainly reflect output length, and their apparent discriminative power collapses once length is controlled. Second, geometric metrics add modest but real information beyond text statistics: combined with them, a classifier reaches 78% accuracy on 6-way generator identification versus 69% for text statistics alone. Third, rather than tracking a general notion of text quality, the metrics demonstrate only moderate association between the intrinsic-dimensionality and lexical diversity (RTTR). We give use-case-specific recommendations and identify failure detection as the most promising near-term application.

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

MAStrike: Shapley-Guided Collusive Red-Teaming on Multi-Agent Systems

arXiv:2606.12918v1 Announce Type: cross Abstract: Hierarchical multi-agent systems (MAS) are rapidly being deployed in high-stakes workflows across domains such as finance and software engineering. In these systems, safety and security are inherently distributed across role-specialized agents, significantly expanding the attack surface, particularly under coordinated adversarial behaviors such as privilege escalation and cross-agent collusion. Existing red-teaming approaches for MAS remain limited: they rely on heuristic selection of target agents and perturb isolated message streams, leaving critical questions unanswered as which agents are most responsible for system safety, and how compromised agents can coordinate to bypass defenses. We propose MAStrike, a closed-loop framework for collusive red-teaming in hierarchical MAS. We propose the first agent-level Shapley value analysis for MAS, quantifying each agent's marginal contribution to system robustness under task-specific distributions. GGuided by this attribution, MAStrike identifies vulnerable agent coalitions and generates coordinated, role-aware adversarial manipulations. These attacks are iteratively refined through structured causal diagnosis, attributing failure cases to uncompromised agents that block adversarial attempts. We further build a comprehensive MAS red-teaming benchmark and controllable environments spanning diverse hierarchical topologies and domains, including finance, software engineering, and CRM. Extensive experiments across MAS built on multiple frontier models show that MAStrike substantially outperforms heuristic baselines. Our analysis further uncovers non-trivial Shapley value distributions and higher-order interaction structures among agents, revealing critical vulnerabilities and coordination patterns that are overlooked by prior single-agent or template-based methods.

04.
arXiv (CS.LG) 2026-06-18

Do Time Series Foundation Model Benchmarks Hide Regime-Dependent Failures? Evidence from Traffic Speed Forecasting

arXiv:2606.18367v1 Announce Type: new Abstract: Standard benchmarks evaluate time series foundation models (TSFMs) using aggregate metrics, but these can mask severe failures in critical operating regimes. We introduce regime-stratified evaluation and apply it to three TSFMs on two standard traffic speed benchmarks. Traffic exhibits abrupt regime switching between free-flow and congested states, producing bimodal speed distributions during transitions. When we stratify by traffic regime, both accuracy and prediction-interval coverage degrade sharply during transitions: transition-regime MAE reaches 11 mph (versus 3 mph overall), and empirical coverage of 90% prediction intervals drops as low as 55%. These failures are invisible in aggregate metrics because free-flow observations dominate the sample. A simple historical conditional baseline (sampling from per-sensor training distributions) achieves better transition coverage than any TSFM, but has far worse overall accuracy. We propose bimodal mixture augmentation (BMA), a post-hoc method that combines TSFM forecasts with historical distributional knowledge, approaching the historical baseline's transition coverage while preserving the TSFM's accuracy. Our results suggest that TSFM benchmarks should incorporate regime-aware evaluation to surface failures that aggregate metrics hide.

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

Deja Vu at Scale: Paraphrase-Robust Detection of Duplicate Gherkin Steps in Behaviour-Driven Software Testing with Sentence-Transformer Embeddings and a 1.1M-Step Open Benchmark

Context. Behaviour-Driven Development (BDD) suites in Gherkin accumulate step-text duplication with documented maintenance cost. Prior detectors either require runnable tests or are single-organisation, leaving a gap: a static, paraphrase-robust, step-level detector and a public benchmark to calibrate it. Objective. We release (i) the largest cross-organisational BDD step corpus to date, (ii) a labelled pair-level calibration benchmark, and (iii) a four-strategy detector with a consolidation-savings model linking clusters to ISO/IEC 25010 maintainability sub-characteristics. Method. The corpus contains 347 public GitHub repositories, 23,667 .feature files, and 1,113,616 Gherkin steps, SPDX-tagged. The detector layers exact hashing, normalised Levenshtein, sentence-transformer cosine, and a Levenshtein-banded hybrid. Calibration uses 1,020 manually labelled step pairs under a released rubric (60-pair overlap, Fleiss kappa = 0.84). We report precision, recall, and F1 with bootstrap 95% CIs under the primary rubric and a score-free relabelling, and benchmark against SourcererCC-style and NiCad-style lexical baselines. Results. Step-weighted exact-duplicate rate is 80.2%; median-repository rate is 58.6% (Spearman rho = 0.51). The top hybrid cluster has 20,737 occurrences across 2,245 files. Near-exact reaches F1 = 0.822 on score-free labels; semantic F1 = 0.906 under the primary rubric reflects a disclosed stratification artefact. Lexical baselines reach F1 = 0.761 and 0.799. The savings model estimates 893,357 corpus-wide eliminable step occurrences; on the median repository 62.5% of step lines are eliminable.

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

Automated reproducibility assessments in the social and behavioral sciences using large language models

arXiv:2606.13670v1 Announce Type: new Abstract: Reproducibility in the social and behavioral sciences is typically evaluated by independent researchers who reanalyze the original data to assess whether the published findings can be recovered. However, such approaches are resource-intensive and difficult to scale. Here, we show that large language models (LLMs) can automate reproducibility assessments. Using N=76 published studies with predefined claims from the behavioral and social sciences, we compare LLM-generated analysis with the original findings and human reanalysis. For 7 studies, the LLM could not produce a viable effect size estimate. For the remaining studies, our LLM pipeline recovered the original effect sizes in 41% of studies using a +/-0.05 tolerance in Cohen's d. Further, our LLM pipeline reached the same qualitative conclusion as the original study in 96% of cases, where conclusions indicate whether the reanalysis supports the original claim. For comparison, human reanalysts recovered the original effect sizes in 34% of studies and reached the same qualitative conclusion in 74% of cases. Together, these results show that LLMs can serve as a scalable tool for automated reproducibility assessment and provide a foundation for systematic auditing of empirical results in the social and behavioral sciences.

07.
arXiv (CS.CL) 2026-06-11

The Structural Attention Tax: How Retrieval Format Hijacks In-Context Learning Independent of Content

Retrieval-augmented generation (RAG) systems inject external knowledge to improve LLM outputs, yet the format of injected content – distinct from its semantic relevance – can independently distort the model's attention distribution. We identify and formalise a phenomenon we term the structural attention tax: knowledge graph (KG) triples, due to their relational delimiters and repeated slot patterns, capture 2-3x more attention per token than semantically equivalent natural-language text ($\hat{o}$(KG) $\approx$ 0.70 vs. $\hat{o}$(neutral) $\approx$ 0.25), compressing demonstration attention by up to 42% – regardless of whether the triples are relevant or noise. We develop a formal framework decomposing attention scores into semantic and structural components (Eq. 2), derive a compression bound (Proposition 1) connecting token-level format bias to demonstration attention loss, and show that the structural term governs how much attention is diverted while the semantic term governs whether this helps or hurts. This decoupling reveals two orthogonal axes for improving retrieval-augmented ICL: optimising retrieval quality (semantic axis) and reducing format-driven attention capture (structural axis). Empirically, across two model families (Mistral-7B, LLaMA-3-8B) and three QA benchmarks, we observe that source-task alignment dominates: task-matched BM25 retrieval achieves 58-62% on HotpotQA vs. ConceptNet's 25-27%, a >30 pp gap that dwarfs all gating strategies ($\leq$2 pp). We derive five structure-aware mitigation strategies from the framework, ranging from zero-cost prompt modifications to training-time regularisation; format flattening (S3) is validated by both accuracy and attention-level evidence from a verbalized-triple control, while structural dispersal (S1) yields mixed results that illuminate the challenges of format-level intervention.

08.
arXiv (CS.LG) 2026-06-15

Nonlocal Bayesian Modeling of Continuous Spatio-Temporal Dynamics

arXiv:2606.14313v1 Announce Type: cross Abstract: Real-world spatio-temporal forecasting must handle irregular time points, spatially sparse observations, and the need for uncertainty quantification. This setting is often further compounded by nonlocal interactions (long-range spatial coupling). Modeling continuous-space, continuous-time nonlocal dynamics naturally leads to infinite-dimensional integro-differential equations (IDEs), making principled Bayesian inference intractable. We propose the NonLocal Bayesian Spatio-Temporal model (NLBST), a hierarchical Bayesian framework for continuous spatio-temporal fields that learns explicit nonlocal coupling while retaining tractable inference. NLBST represents the latent field via a coordinate-based spatial basis expansion and models the coefficient process with a continuous-time ODE whose learnable linear operator corresponds to a Galerkin reduction of a nonlocal IDE; a Neural ODE residual captures additional nonlinear dynamics. A linear-Gaussian observation model enables Kalman-style sequential updates under missing and irregular observations, while the spatial basis representation enables inductive prediction at unmeasured locations without retraining. Global parameters are learned via variational inference, and uncertainty is handled through a Bayesian hierarchy. Experiments on synthetic and real-world datasets demonstrate strong forecasting and spatial generalization with well-calibrated uncertainty, yielding substantial gains over baselines in strongly nonlocal and partially observed regimes.

09.
arXiv (quant-ph) 2026-06-24

On the Limits of Stretching Quantum Pseudorandomness

arXiv:2606.24736v1 Announce Type: new Abstract: Pseudorandom states, introduced by Ji, Liu, and Song (CRYPTO '18), are quantum analogues of classical pseudorandom generators. A fundamental property of classical pseudorandom generators is that their output can be stretched to arbitrary polynomial length. Whether an analogous stretching property holds for quantum pseudorandom states remains unclear. In this work, we prove the first black-box separation between single-copy secure pseudorandom states ($\mathsf{1PRS}$) with different output lengths. Specifically, we construct a quantum oracle relative to which $\mathsf{1PRS}$ with output length $m(n)=1.1n$ exist, but $\mathsf{1PRS}$ with output length $m(n)=\Omega(n^{2+\epsilon})$ do not, for any $\epsilon>0$. Our proof leverages the Common Haar Random State (CHRS) model introduced by Chen, Coladangelo, and Sattath (EUROCRYPT '25), and introduces a technique to bound the effective number of resource CHRS states utilized by any $\mathsf{1PRS}$ generator in this model.

10.
medRxiv (Medicine) 2026-06-15

Fanconi Anemia as a Window into Premalignant Field Cancerization of the Oral Mucosa

Head and neck squamous cell carcinoma (HNSCC) evolves through stepwise clonal expansion within genetically altered mucosa fields, yet actionable biomarkers remain undefined. Leveraging Fanconi anemia (FA), a cancer predisposition syndrome with extreme HNSCC risk due to defective DNA interstrand crosslink repair, we profiled premalignant changes in the oral cavity using noninvasive brush biopsies. Consistent with our prior demonstration of genomic instability in FA-associated SCCs, we detected pathogenic TP53 variants in 26% and copy number alterations in 60.5% in clinically normal-appearing oral mucosa of individuals with FA. These subclinical clonal expansions define candidate biomarkers of early clonal evolution amenable to serial sampling for risk stratification and prevention studies. Since FA-associated SCCs share genomic features with sporadic HNSCC, these findings may extend to the broader population. We also identify somatic reversion of a pathogenic FANCB variant, providing evidence of genomic self-correction and suggesting a potential avenue for gene-based cancer prevention in FA.

11.
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.

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

Functional Cache Grafting: Robust and Rapid Code-Policy Synthesis for Embodied Agents

arXiv:2606.13097v1 Announce Type: cross Abstract: Code-writing large language models (CodeLLMs) generate executable code policies for embodied agents by translating natural language goals and environmental constraints into structured control programs. However, policy generation in open-domain embodied environments suffers from two fundamental limitations: (i) delayed decoding caused by repetitive prefill computation over long prompts, and (ii) limited robustness due to fully generative decoding, which often produces API mismatches, missing safety guards, and unstable control logic. To address these limitations, we present FCGraft, a Functional Cache Grafting framework. FCGraft maintains a library of function-level validated code skeletons and their associated prompt-level Transformer key-value (KV) caches, and synthesizes new policies by retrieving relevant functions and grafting their KV caches when a new task is provided. Given retrieved function caches, FCGraft performs cache grafting via stitching, which composes cached function segments into a composite policy, and patching, which locally adapts only the necessary code regions to satisfy task-specific parameters and constraints with minimal additional decoding. By eliminating redundant prefill computation, this approach reduces generation latency, while reusing validated control structures improves robustness over prompt-level caching methods RAGCache, achieving 18.31% higher task success rate and 2.3x faster policy synthesis.

13.
arXiv (CS.LG) 2026-06-11

Open Materials Generation with Inference-Time Reinforcement Learning

arXiv:2602.00424v2 Announce Type: replace Abstract: Continuous-time generative models for crystalline materials enable inverse materials design by learning to predict stable crystal structures, but incorporating explicit target properties into the generative process remains challenging. Policy-gradient reinforcement learning (RL) provides a principled mechanism for aligning generative models with downstream objectives but typically requires access to the score, which has prevented its application to flow-based models that learn only velocity fields. We introduce Open Materials Generation with Inference-time Reinforcement Learning (OMatG-IRL), a policy-gradient RL framework that operates directly on the learned velocity fields and eliminates the need for the explicit computation of the score. OMatG-IRL leverages stochastic perturbations of the underlying generation dynamics preserving the baseline performance of the pretrained generative model while enabling exploration and policy-gradient estimation at inference time. Using OMatG-IRL, we present the first application of RL to crystal structure prediction (CSP). Our method enables effective reinforcement of an energy-based objective while preserving diversity through composition conditioning, and it achieves performance competitive with score-based RL approaches. Finally, we show that OMatG-IRL can learn time-dependent velocity-annealing schedules, enabling accurate CSP with order-of-magnitude improvements in sampling efficiency and, correspondingly, reduction in generation time. The OMatG-IRL code is included in a new release of the Open Materials Generation (OMatG) framework available at https://github.com/FERMat-ML/OMatG.

14.
arXiv (CS.CL) 2026-06-24

DREAM: Dense Retrieval Embeddings via Autoregressive Modeling

Dense retrieval embedding models are a fundamental component of modern retrieval-based AI systems. Most dense retrievers are trained with contrastive objectives, which require labeled positive and negative document pairs that are often costly and difficult to obtain. In this work, we investigate whether the autoregressive next-token prediction objective of a large language model (LLM) can provide supervision for dense retrieval. The intuition is simple: if a document contains information relevant to a query, conditioning on that document should make the target output easier for the LLM to predict. A key challenge is that the next-token prediction loss is computed inside the LLM, while the retriever is a separate embedding model. To address this challenge, we propose DREAM (Dense Retrieval Embeddings via Autoregressive Modeling), which injects retriever-generated query-document similarity scores into selected attention heads of a frozen LLM. During training, these scores determine how much attention each candidate document receives while the LLM predicts the target output. The resulting prediction loss provides gradients for retriever training through the attention mechanism. We evaluate DREAM on retrieval benchmarks BEIR and RTEB using embedding backbones ranging from 0.5B to 3B parameters. DREAM consistently outperforms existing baselines across different model scales. These results demonstrate that DREAM provides a promising approach for training dense retrievers through autoregressive modeling.

15.
arXiv (quant-ph) 2026-06-16

How Many Shots Are Enough for a Quantum Circuit?

arXiv:2606.16965v1 Announce Type: new Abstract: Quantum algorithms require repeated circuit executions, known as shots, to estimate output distributions accurately. Determining the minimal number of shots needed to meet a target accuracy is crucial to reduce costs and resource usage, especially on today's noisy and expensive quantum hardware. In this paper, we address the shot optimisation problem in a black-box setting, where no assumptions are made about the structure of the quantum circuit or the noise model of the backend. We introduce IncrementalExecution, a novel online framework that dynamically determines when to stop executing shots based on the principle of point of diminishing returns: the point at which additional shots no longer significantly alter the empirical distribution of a fixed circuit. The framework supports customisable policies for shot management, enabling flexible trade-offs between execution cost and result fidelity within static execution scenarios. We assess our proposal through an extensive experimental evaluation spanning 33,750 framework configurations across 180 unique static quantum circuit-backend combinations, for a total of 7.3M independent experiments. Unlike prior work that relies on problem-specific knowledge or algorithm-dependent assumptions (e.g., variational or adaptive workflows), our approach is applicable to a large set of static circuits and immediately deployable on current quantum cloud platforms.

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

Decomposing Prediction Mechanisms for In-Context Recall

arXiv:2507.01414v2 Announce Type: replace Abstract: We introduce a new family of toy problems that combine features of linear-regression-style continuous in-context learning (ICL) with discrete associative recall. We pretrain transformer models on sample traces from this toy, specifically symbolically-labeled interleaved state observations from randomly drawn linear deterministic dynamical systems. We study if the transformer models can recall the state of a sequence previously seen in its context when prompted to do so with the corresponding in-context label. Taking a closer look at this task, it becomes clear that the model must perform two functions: (1) identify which system's state should be recalled and apply that system to its last seen state, and (2) continuing to apply the correct system to predict the subsequent states. Training dynamics reveal that the first capability emerges well into a model's training. Surprisingly, the second capability, of continuing the prediction of a resumed sequence, develops much earlier. Via out-of-distribution experiments, and a mechanistic analysis on model weights via edge pruning, we find that next-token prediction for this toy problem involves at least two separate mechanisms. One mechanism uses the discrete symbolic labels to do the associative recall required to predict the start of a resumption of a previously seen sequence. The second mechanism, which is largely agnostic to the discrete symbolic labels, performs a "Bayesian-style" prediction based on the previous token and the context. These two mechanisms have different learning dynamics. To confirm that this multi-mechanism (manifesting as separate phase transitions) phenomenon is not just an artifact of our toy setting, we used OLMo training checkpoints on an ICL translation task to see a similar phenomenon: a decisive gap in the emergence of first-task-token performance vs second-task-token performance.

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

TuringViT: Making SOTA Vision Transformers Accessible to All

Modern VLMs and VLA systems commonly adopt off-the-shelf ViTs such as SigLIP2 as visual encoders, but diverse downstream requirements in latency, temporal modeling, and VLM integration often call for customized SOTA-level ViTs. Training such encoders remains beyond the reach of much of the community, as it requires massive image-text data, while standard softmax attention makes high-resolution or dynamic-resolution pretraining prohibitively costly and often forces low-resolution pretraining followed by post-hoc adaptation. TuringViT addresses these challenges with three key designs: Turing Linear Attention (TLA) for efficient sequence modeling, VISTA-Curation to construct supervision-rich image-video training data, and native dynamic-resolution pretraining that supports flexible inputs from the start and transfers seamlessly to downstream VLMs. As a result, TuringViT outperforms leading open-source ViT baselines with only 10% of the data, achieves stronger downstream VLM performance, and delivers substantially better latency scaling on high-resolution inputs. Our scaling-law analysis further shows that TuringViT continues to improve predictably with curated data scale, far from saturation. Its fast adaptation, hardware-friendly design, and efficient deployment have made it a unified visual foundation across XPeng's AI systems. More broadly, TuringViT provides a reproducible pipeline that dramatically lowers the cost for the community to train, customize, and deploy SOTA-level ViTs, moving toward making such Vision Transformers accessible to all.

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

Parallel Manifold Steering: Efficient Adaptation of Large Associative Memories via Residual Energy Shaping

arXiv:2606.24396v1 Announce Type: new Abstract: Large Transformer models function as Dense Associative Memories (DAMs), retrieving knowledge via high-dimensional attractor dynamics driven by the self-attention mechanism \citep{ramsauer2020hopfield, wu2024attention}. However, adapting these frozen memory systems to new tasks presents a fundamental ``Plasticity-Stability'' dilemma. Current methods either risk catastrophic interference by modifying synaptic weights directly (e.g., LoRA) \citep{hu2021lora} or degrade associative capacity by clogging the retrieval buffer with static prompt tokens (e.g., VPT) \citep{jia2022vpt}. In this work, we propose H-Res (Hierarchical Residual Steering), a mechanism that modulates the effective energy landscape of the Transformer without altering its global equilibrium or expanding its sequence length. By formulating adaptation as a control problem on the activation manifold \citep{chen2018neuralode}, H-Res learns a state-dependent vector field that steers token trajectories into task-specific basins of attraction. We formally prove that H-Res preserves the attention entropy of the foundation model and facilitates Neural Collapse \citep{papyan2020prevalence}. Empirically, Manifold Steering outperforms global weight modification by 26\% on associative retrieval tasks and eliminates the computational overhead of prompt-based methods, scaling effectively to structured domains \citep{zha2023vtab}.

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

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

20.
medRxiv (Medicine) 2026-06-16

Care Delivery Gap framework: a proof-of-concept patient-reported measure of guideline-referenced care-process omissions in sickle cell disease

Abstract Background:Sickle cell disease (SCD) is concentrated in sub-Saharan Africa, where delivery of guideline-referenced care remains challenging. Current evaluation approaches rely largely on access indicators and clinical outcomes, which do not directly measure care delivery. We developed the Care Delivery Gap (CDG) framework, a patient-reported approach for identifying care-process omissions, and conducted a proof-of-concept study to assess feasibility and explore variation across income strata. Methods: We conducted a cross-sectional framework-development study involving a proof-of-concept sample of 52 individuals with SCD or caregivers recruited through clinics and moderated SCD communities across Africa, North America, and Europe between June 2025 and March 2026. The CDG framework assessed patient-reported omissions in specialist involvement, follow-up continuity, cardiovascular screening, and biochemical surveillance. Analyses were descriptive. Results: Substantial multi-domain care-process omissions were identified despite high reported healthcare engagement. Across geographic income strata, cardiovascular screening was reported by 4/35 (11%) LMIC versus 16/17 (94%) HIC participants, and regular follow-up within the preceding 12 months by 14/35 (40%) versus 16/17 (94%), respectively. High CDG scores, representing 1 omissions across three or four domains, occurred in 20/35 (57%) LMIC compared with 1/17 (6%) HIC participants. Similar disparities were observed across specialist review and vitamin B12 surveillance domains. Conclusion: A structured patient-reported framework identified multi-domain omissions in guideline-referenced SCD care, including among individuals reporting healthcare access. The divergence between access indicators and reported care delivery suggests that service contact alone may not reflect care quality. The framework provides a feasible foundation for future process-level quality measurement in high-burden settings.

21.
Nature (Science) 2026-06-08

Distributed control circuits across a brain-and-cord connectome

Just as genomes revolutionized molecular genetics, connectomes (maps of neurons and synapses) are transforming neuroscience. To date, the only organisms with complete connectomes are worms1–3, sea squirts4, and comb jellies5 (103–104 synapses). By contrast, the fruit fly is more complex (108 synaptic connections), with a brain that supports learning and spatial memory6,7 and an intricate ventral nerve cord analogous to the vertebrate spinal cord8–12. Here we report the first densely-reconstructed adult fly connectome that unites the brain and ventral nerve cord, and we leverage this resource to investigate principles of neural control. We show that effector neurons (motor neurons, endocrine cells, and efferent neurons targeting the viscera) are primarily influenced by sensory neurons in the same body part, forming local feedback loops. These local loops are linked by long-range circuits involving ascending and descending neurons organized into behavior-centric modules. Single ascending and descending neurons are often positioned to influence the voluntary movements of multiple body parts, together with the endocrine cells or visceral organs that support those movements. Brain regions involved in learning and navigation supervise these circuits. These results reveal an architecture that is distributed, parallelized, and embodied, reminiscent of distributed control architectures in engineered systems13,14.

22.
arXiv (CS.LG) 2026-06-16

Learning Topological Representations for Molecular Dynamics

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

23.
arXiv (CS.LG) 2026-06-18

Multi-Agent Systems are Mixtures of Experts: Who Becomes an Influencer?

arXiv:2605.25929v2 Announce Type: replace-cross Abstract: The effectiveness of multi-agent LLM deliberation depends not only on the agents' individual predictions, but also on how they communicate and collaborate. We study this mechanism through the lens of Friedkin-Johnsen (FJ) opinion dynamics, a tractable model for analyzing stubbornness, influence, and opinion change in multi-agent systems that captures empirically observed deliberation patterns. We show that the FJ parameters are input-dependent, turning multi-agent deliberation into a mixture of experts. This perspective implies that multi-agent systems can outperform single agents and static ensembles when routing reflects agent competence. Since competence is latent in practice, we analyze how influence is established through observable proxies: agents' self-assessed confidence, their perceived confidence, and initial alignment with other agents' views.

24.
arXiv (quant-ph) 2026-06-11

Invariants of Sequential Circuits and Generalized Non-Abelian Statistics

arXiv:2606.11527v1 Announce Type: cross Abstract: Non-invertible symmetries in quantum many-body systems generally give rise to sequential unitary circuits that move symmetry defects. In this paper, we investigate invariants defined by sequences of such circuits, which move non-invertible defects and generate a Berry phase evaluated on quantum states with defects. We show that this Berry phase generally defines an invariant under local deformations, provided that the sequential circuits preserve the locality of those deformations. This invariant also rules out a short-range-entangled state that preserves the non-invertible symmetry, thereby signaling the 't Hooft anomaly of a non-invertible symmetry purely in terms of unitary operators acting on a state. We then apply this framework to loop excitations in three spatial dimensions and identify a new loop excitation in the (3+1)D $\mathbb{D}_4$ topological order, which we dub a non-Abelian fermionic loop. Using the invariant of sequential circuits, we characterize the statistics of non-Abelian fermionic loops. In addition, we find a new (3+1)D mixed topological order with a single non-Abelian fermionic loop, whose long-range entanglement is protected by an invariant of sequential circuits.

25.
medRxiv (Medicine) 2026-06-22

T Cell Receptor repertoire analysis reveals antigenic convergence and immunotherapeutic opportunities in Prostate Cancer

Background: The T-cell receptor {beta} (TCR{beta}) repertoire reflects antigen-driven adaptive immune responses and provides insight into tumor-immune interaction. In prostate cancer (PCa), the immunosuppressive tumor microenvironment limits effective T-cell activation, and the antigenic drivers shaping intratumoral TCR repertoires remains poorly defined. This study aimed to characterize matched tumor and peripheral TCR{beta} repertoires from treatment-naive PCa patients and to identify shared clonotypes and antigenic specificities associated with disease severity. Methods: Next-generation sequencing was used to profile TCR{beta} repertoires from matched tumor biopsies and peripheral blood mononuclear cells obtained from treatment-naive PCa patients. Repertoires clonality, diversity, and was assessed using established metrics. Antigenic convergence was evaluated using GLIPH2 to identify shared CDR3{beta} motifs and predicted tumor-associated antigen (TAA) recognition, followed by functional validation using IFN-{gamma} ELISpot and T-cell expansion assays. Results: Tumor-derived TCR{beta} repertoires displayed reduced richness and increased clonality compared with peripheral blood mononuclear cells, consistent with local antigen-driven expansion. High-grade tumors demonstrated greater interpatient clonotype sharing and motif-level convergence, indicative of recognition of common TAAs. GLIPH2 analysis associated expanded clonotypes with epitopes derived from prostate-specific G-protein coupled receptor (PSGR), prostate-specific membrane antigen (PSMA), and prostate-specific antigen (PSA). Functional validation confirmed that peptide pools containing PSGR- and PSMA-derived epitopes induced IFN-{gamma} production and antigen-specific T-cell proliferation in vitro. Conclusions: These findings reveal an oligoclonal, antigen-driven intratumoral TCR{beta} landscape and identify PSGR and PSMA as immunogenic, potentially actionable targets. Integration of TCR profiling with antigen discovery pipelines may support the development of TCR-based biomarkers and precision immunotherapeutic strategies in prostate cancer.