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

QMaxCal: Path-Space Regularization for Open Quantum Control via Girsanov's Theorem

arXiv:2606.19947v1 Announce Type: cross Abstract: Reliable quantum control in the presence of decoherence requires policies that combat the effect of environmental noise on the controlled dynamics. Open quantum systems under continuous monitoring generate classical measurement records whose drift depends on the noise experienced by the system; the records of two evolutions sharing the same decoherence channels differ only in this drift, so Girsanov's theorem yields a closed-form, differentiable estimator of the KL divergence between their trajectory distributions. We instantiate this estimator with two physically motivated reference measures, yielding two regularizers that both drive the system toward states where the effects of decoherence are minimal: the Wiener KL (KL_W), which is empirically more effective under certain conditions on the noise model, and the drift-variance regularizer (R_DV), which works for all noise models. Both are qualitatively distinct from existing penalties on control fluence or smoothness: they penalize the observable consequences of control on the decoherence channels rather than the control amplitude itself. The regularizers outperform unregularized gradient-based and reinforcement-learning baselines across a range of open quantum systems – including single- and multi-qubit benchmarks and a multi-qubit chain calibrated to a published snapshot of the IBM Kingston processor – along several axes of evaluation: final-state fidelity, robustness to mismatch in the assumed noise model (gains grow from +17 pp at training noise to +27 pp under 2.5x noise mismatch), and occupation of forbidden states. The regularizers reduce infidelity by up to 50%, with ~16% gains on the calibrated IBM Kingston chain.

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

MedVeriSeg: Teaching LISA-Like Medical Segmentation Models to Verify Query Validity Without Extra Training

Despite recent progress in text-prompt-based medical image segmentation, existing LISA-like MLLM-based methods typically generate masks regardless of whether the target specified in the query is present, leading to hallucinated segmentation. In this work, we propose MedVeriSeg, a training-free query verification framework that enables LISA-like medical segmentation models to reject false segmentation queries. MedVeriSeg first quantifies the response quality between the [SEG] token and image features through a Similarity Response Quality Scoring Module. To further improve robustness, it employs a Lightweight Routed Multi-Agent Verification Module, which fuses quantitative score evidence with qualitative agent evidence to comprehensively verify the validity of the query. To support systematic evaluation, we construct MedVeriSeg-Bench, a benchmark designed for query verification in medical image segmentation. Experimental results demonstrate that MedVeriSeg effectively identifies false segmentation queries and reduces hallucinated segmentation, while maintaining a high acceptance rate for valid queries, thereby largely preserving the segmentation utility of LISA-like medical segmentation models.

03.
bioRxiv (Bioinfo) 2026-06-20

SAbDab2: The structural antibody database in the age of machine learning

The Structural Antibody Database (SAbDab) is a publicly available repository of experimentally determined antibody structures, first released in 2013. Explicit support for single-domain antibodies was added in 2021, with SAbDab-nano. Recently, increasing interest in antibodies has led to a proliferation of novel antibody formats, while simultaneous advances in machine learning have increased demand for standardised, high-quality structure data. Here, we present SAbDab2, re-engineered for the machine-learning age. It introduces support for a variety of new formats, and makes it easy to retrieve and compare all known structures of a given antibody. In addition, SAbDab2 provides ready access to ML-grade structures of antibody and antibody–antigen-complexes, with standardised, versioned train/test splits. These will be updated every six months going forward, and are available at https://zenodo.org/records/20083995. SAbDab2 itself is updated weekly and is freely available at https://sabdab2.opig.stats.ox.ac.uk.

04.
arXiv (CS.AI) 2026-06-16

Integrating Multi-Label Classification and Generative AI for Scalable Analysis of User Feedback

arXiv:2601.23018v1 Announce Type: cross Abstract: In highly competitive software markets, user experience (UX) evaluation is crucial for ensuring software quality and fostering long-term product success. Such UX evaluations typically combine quantitative metrics from standardized questionnaires with qualitative feedback collected through open-ended questions. While open-ended feedback offers valuable insights for improvement and helps explain quantitative results, analyzing large volumes of user comments is challenging and time-consuming. In this paper, we present techniques developed during a long-term UX measurement project at a major software company to efficiently process and interpret extensive volumes of user comments. To provide a high-level overview of the collected comments, we employ a supervised machine learning approach that assigns meaningful, pre-defined topic labels to each comment. Additionally, we demonstrate how generative AI (GenAI) can be leveraged to create concise and informative summaries of user feedback, facilitating effective communication of findings to the organization and especially upper management. Finally, we investigate whether the sentiment expressed in user comments can serve as an indicator for overall product satisfaction. Our results show that sentiment analysis alone does not reliably reflect user satisfaction. Instead, product satisfaction needs to be assessed explicitly in surveys to measure the user's perception of the product.

05.
arXiv (quant-ph) 2026-06-17

Quantum-inspired Ising machine using sparsified spin connectivity

arXiv:2604.04606v2 Announce Type: replace-cross Abstract: Combinatorial optimization problems become computationally intractable as these NP-hard problems scale. We previously proposed extraction-type majority voting logic (E-MVL), a quantum-inspired algorithm using digital logic circuits. E-MVL mimics the thermal spin dynamics of simulated annealing (SA) through controlled sparsification of spin interactions for efficient ground-state search. This study investigates the performance potential of E-MVL through systematic optimization and comprehensive benchmarking against SA. The target problem is the Sherrington-Kirkpatrick (SK) model with bimodal and Gaussian coupling distributions. Through equilibrium state analysis, we demonstrate that the sparsity control mechanism provides a consistent search of the solution space regardless of the problem's coupling distribution (bimodal, Gaussian) or size. E-MVL not only achieves the best performance among all tested algorithms–solving exact solutions up to 1600 spins where the best SA baseline is limited to 400 spins–but also provides insights that significantly improve SA's own temperature scheduling. These results establish E-MVL's dual contribution as both an efficient optimizer and a practical methodology for enhancing SA performance. Moreover, FPGA implementation achieved an approximately 6-fold faster solution speed than SA.

06.
bioRxiv (Bioinfo) 2026-06-12

From Proteome Mining to Structural Validation: Phosphopyruvate Hydratase as a Structurally Tractable Drug Target in Kinetoplastid Parasites

Chagas disease, caused by Trypanosoma cruzi, demands novel therapeutic strategies that overcome the toxicity and limited efficacy of current treatments. To address this need, herein we report an integrative, target-centric strategy that combines parasite proteome mining, structural modeling, and experimental validation. Functional enrichment and druggability analyses identified phosphopyruvate hydratase (PPH) as a promising candidate due to its essential metabolic role and limited similarity to human homologs. Notably, proteome mining revealed the presence and conservation of PPH across kinetoplastid parasites, including Leishmania donovani, supporting its evaluation beyond T. cruzi. For the selected PPH sequences, AlphaFold-derived three-dimensional models underwent extensive molecular dynamics refinement, yielding stable conformational ensembles suitable for structure-based studies. Using this validated model, virtual screening of the Latin American Natural Products Database - LANaPDB - identified aptosimon as a top-ranked compound candidate. Molecular dynamics simulations further showed ligand-dependent binding behavior, suggesting alternative binding modes distinct from the canonical substrate configuration. In vitro assays demonstrated consistent antiparasitic activity against intracellular T. cruzi amastigotes (IC50 = 3.52 ug/mL) and Leishmania donovani promastigotes (IC50 = 13.06 ug/mL), supporting the biological relevance of the aptosimon-related lignan chemotype, hinokinin, across two kinetoplastid parasite models. Together, these results support PPH as a structurally tractable and biologically relevant candidate target, while identifying an aptosimon-related lignan chemotype, represented experimentally by hinokinin, as a cross-species antiparasitic scaffold that warrants further biochemical target-validation studies.

07.
arXiv (CS.AI) 2026-06-17

Surrogate Assisted Pedestrian Protection Design via a Foundation Model Orchestrated Workflow

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

08.
arXiv (CS.LG) 2026-06-19

Towards Graph-Based Deep Learning for Map Generalization: Insights from Building Footprints Simplification and Aggregation

arXiv:2606.19956v1 Announce Type: new Abstract: Map generalization remains one of the fundamental tasks in cartography, especially for the simplification and aggregation of complex building footprints. This study presents the first exploratory application of graph-based deep learning to both tasks, reformulating simplification as node movement prediction and aggregation as link prediction within a unified graph learning framework. We evaluate representative graph neural network architectures (GCN, GAT, and GraphSAGE) on multi-scale building datasets, showing that GraphSAGE demonstrates relative strengths in link prediction accuracy, while also revealing persistent challenges in precise node movement prediction. Beyond quantitative performance, the results highlight that aggregation poses greater complexity and challenges than simplification, underscoring the difficulty of capturing higher-level spatial relationships in map generalization with current deep learning approaches. Although limitations such as data imbalance and the need for post-processing remain, the study provides valuable insights and methodological directions for advancing automated map generalization with deep learning approaches.

09.
arXiv (quant-ph) 2026-06-16

Noise-induced shallow circuits and absence of barren plateaus

arXiv:2403.13927v3 Announce Type: replace Abstract: Motivated by realistic hardware considerations of the pre-fault-tolerant era, we comprehensively study the impact of uncorrected noise on quantum circuits. We first show that in the task of estimating observable expectation values any noise truncates most quantum circuits to effectively logarithmic depth. We then prove that quantum circuits under any non-unital noise do not exhibit barren plateaus for cost functions composed of local observables. However, by using the effective shallowness, we also design an efficient classical algorithm to estimate observable expectation values within any constant additive accuracy, with high probability over the choice of the circuit, in any circuit architecture. Taken together, our results establish that, unless we carefully engineer quantum circuits to take advantage of the noise, noisy quantum circuits are unlikely to offer an advantage over shallow ones for algorithms that output observable expectation value estimates, such as many variational quantum machine learning proposals.

10.
arXiv (CS.AI) 2026-06-11

Designing AI-Supported Focus Groups: A Role x Modality Playbook

arXiv:2606.11835v1 Announce Type: cross Abstract: Collecting participants' lived experiences is central to design research. Focus groups are uniquely valuable because participants not only share individual accounts but also respond to one another, surfacing comparison, disagreement, and collective sensemaking. However, focus groups are resource-intensive and highly sensitive to facilitation: moderators must probe for specificity, balance participation, manage topic flow, and sustain psychological safety, and subtle facilitation choices can shape what becomes salient. Recent HCI work and commercial meeting tools show that generative AI can scaffold live conversation through prompting, turn regulation, thematic mapping, and real-time summarization. Yet UXR teams lack a clear map of what these capabilities mean in focus groups and what methodological risks they introduce. We synthesize AI supports for live conversation and translate them into a focus-group-specific playbook organized by AI role (tool, co-host, host) and modality (text, voice, embodied).We synthesize prior work on AI-supported live conversation and propose a focus-group-specific playbook of AI supports organized by role (tool, co-host, host) and modality (text, voice, embodied). We characterize interactional trade-offs and identify open questions for evaluating AI-supported focus groups as methodological configurations.

11.
arXiv (CS.CV) 2026-06-15

HPSv3++: Scaling Reward Models Across the Full Spectrum of Diffusion Model Capabilities

Reward models guide text-to-image (T2I) systems toward outputs aligned with human preferences. However, typical reward models such as HPSv3 are trained on pre-annotated data from earlier T2I models, without accounting for quality discriminative shifts arising from evolving model capabilities and reinforcement learning (RL) iterations, limiting their broader applicability. In this work, we propose HPSv3++, a reward model framework that elevates the HPSv3 model for varying T2I model capabilities and their RL iteration changes across the full capability-iteration spectrum. Specifically, we first introduce HPDv3++, a 212K dual-dimension preference dataset annotated for text fidelity and aesthetic quality using a recent high-capability (Qwen-Image) model with human supervision. We then propose a two-stage training framework. Stage 1 employs data-aware orthogonal gradient projection to incorporate diverse aesthetic perception from HPDv3++ while preserving the original effective human preference knowledge in HPSv3. Stage 2 further leverages unlabeled data from T2I models spanning different capability levels and RL iterations, and introduces a joint capability-iterations conditioned signal for the reward model together with a standard deviation-driven unsupervised guidance mechanism, strengthening reward model across the capability-iteration spectrum. HPSv3++ achieves state-of-the-art preference prediction, outperforming HPSv3 9.8% on HPDv3, 5.5% on GenAI-Bench, while achieving 79.1%/88.1% on our proposed HPDv3++. When used for T2I RL training, it consistently improves GenEval scores across diverse T2I models, demonstrating its wide-range capabilities. The code is available at https://github.com/PlantPotatoOnMoon/HPSv3-PlusPlus.

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

OR-Action: Multi-Role Video Understanding with Fine-Grained Actions

Fine-grained understanding of operating room (OR) activity could enable workflow-aware assistance, yet remains difficult due to clutter, occlusions, and limited sensing. The prevailing approach to model this environment is scene graphs as an interpretable representation of OR interactions. Converting their frame-wise relational predictions into temporally extended, fine-grained actions however, is challenging without explicit temporal modeling. To enable a principled temporal evaluation of current OR understanding methods, we introduce the first action-centric benchmark built on a publicly available ego-exocentric OR dataset by defining a fine-grained, multi-role action taxonomy and generating dense action segments via distillation from ground-truth scene graph state changes. Experiments on this benchmark show that current scene graph prediction methods struggle to model temporal structure, even when adding explicit modeling through Graph Neural Networks. We therefore introduce a vision-only temporal model that outperforms graph-based methods significantly when using all available egocentric video as input. Building on this model we also introduce a novel multi- to single-view feature alignment strategy that improves single-view performance on multi-role action recognition, mitigating the need for extensive egocentric video capture. Benchmark and code will be released upon acceptance.

13.
arXiv (CS.LG) 2026-06-19

DADP: Domain Adaptive Diffusion Policy

arXiv:2602.04037v3 Announce Type: replace Abstract: Learning domain adaptive policies that can generalize to unseen transition dynamics, remains a fundamental challenge in learning-based control. Substantial progress has been made through domain representation learning to capture domain-specific information, thus enabling domain-aware decision making. We analyze the process of learning domain representations through dynamical prediction and find that selecting contexts adjacent to the current step causes the learned representations to entangle static domain information with varying dynamical properties. Such mixture can confuse the conditioned policy, thereby constraining zero-shot adaptation. To tackle the challenge, we propose DADP (Domain Adaptive Diffusion Policy), which achieves robust adaptation through unsupervised disentanglement and domain-aware diffusion injection. First, we introduce Lagged Context Dynamical Prediction, a strategy that conditions future state estimation on a historical offset context; by increasing this temporal gap, we unsupervisedly disentangle static domain representations by filtering out transient properties. Second, we integrate the learned domain representations directly into the generative process by biasing the prior distribution and reformulating the diffusion target. Extensive experiments on challenging benchmarks across locomotion and manipulation demonstrate the superior performance, and the generalizability of DADP over prior methods. More visualization results are available on the https://outsider86.github.io/DomainAdaptiveDiffusionPolicy/.

14.
arXiv (CS.LG) 2026-06-12

COSMOS: Model-Agnostic Personalized Federated Learning with Clustered Server Models and Pseudo-Label-Only Communication

arXiv:2605.11165v2 Announce Type: replace Abstract: Federated learning (FL) in heterogeneous environments remains challenging because client models often differ in both architecture and data distribution. While recent approaches attempt to address this challenge through client clustering and knowledge distillation, simultaneously handling architectural and statistical heterogeneity remains difficult. We introduce COSMOS, a model-agnostic framework that enables server-side personalization using only pseudo-label communication. Clients train local models and predict on the public data; the server clusters clients by prediction similarity, trains a cluster-specific model for each group using its own compute, and distills the resulting models back to clients. We provide the first theoretical analysis showing that distillation from the learned cluster models can yield exponential personalization risk contraction, going beyond the convergence-to-stationarity guarantees typically provided in model-agnostic FL. Experiments across benchmarks demonstrate that COSMOS consistently outperforms all model-agnostic FL baselines while remaining competitive with state-of-the-art personalized FL methods. More broadly, our results highlight personalized server-side learning with pseudo-labels as a promising paradigm for scalable and model-agnostic federated learning in highly heterogeneous environments.

15.
PLOS Medicine 2026-05-08

Optimal minimal residual disease threshold in pediatric acute myeloid leukemia: A retrospective cohort study based on the TARGET database

by Xiong-yu Liao, Hong Zheng, Jian-pei Fang, Dun-hua Zhou, Kun-yin Qiu Background Minimal residual disease (MRD) monitoring is a cornerstone of risk stratification in pediatric acute myeloid leukemia (AML), with a threshold of 0.1% conventionally defining positivity by flow cytometry. Advances in flow cytometric technologies, enabling detection of leukemic cells with higher sensitivity and specificity, warrant a reevaluation of whether a lower threshold improves prognostic accuracy. Methods and findings We conducted a retrospective cohort study using data from the Therapeutically Applicable Research to Generate Effective Treatments (TARGET)-AML initiative. The study population comprised 1,205 pediatric patients with de novo AML treated across Children’s Oncology Group (COG) clinical trial centers. Patients were enrolled between September 1996 and December 2016, with a median follow-up of 6.2 years (range: 0.5–20.1 years). The primary objective was to compare the prognostic performance of the traditional MRD threshold (≥0.1%) with a lower threshold (≥0.05%) after induction courses 1 and 2. The main outcome measure was 5-year event-free survival (EFS). Analyses included Kaplan−Meier survival estimates, Cox proportional hazards models to calculate hazard ratios (HR) with 95% confidence intervals (CI), receiver operating characteristic (ROC) curves, and net reclassification improvement (NRI). The optimal threshold for predicting 5-year EFS, determined by ROC analysis, was 0.05% after both induction course 1 (AUC: 0.840, 95%CI[0.76,0.88]) and course 2 (AUC: 0.854, 95%CI[0.78,0.89]). The 0.05% threshold demonstrated higher HR for the first event than the 0.1% threshold (after course 1: HR = 2.8, 95%CI[2.3,3.3]; P 

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

CSPO: Constraint-Sensitive Policy Optimization for Safe Reinforcement Learning

arXiv:2606.14415v1 Announce Type: new Abstract: Safe reinforcement learning (Safe RL) aims to maximize expected return while satisfying safety constraints, typically modeled as Constrained Markov Decision Processes (CMDPs). While primal-dual methods scale well to deep RL, they often suffer from delayed constraint correction, leading to oscillatory behavior and prolonged safety violations. In this paper, we propose Constraint-Sensitive Policy Optimization (CSPO), a first-order primal-dual method that incorporates local constraint sensitivity into policy updates. CSPO augments the primal objective with a constraint-sensitive correction derived from the shortest signed distance to the safety boundary, enabling smarter recovery steps back to safety, compensating for delayed Lagrange multiplier updates, reducing oscillations near the boundary, and preserving the KKT solutions of the original constrained problem. Experiments on navigation and locomotion benchmarks demonstrate that CSPO achieves faster safety recovery and high reward preservation, resulting in higher constrained returns compared to state-of-the-art primal-dual and penalty-based methods

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

Planning with Unified Multimodal Models

With the powerful reasoning capabilities of large language models (LLMs) and vision-language models (VLMs), many recent works have explored using them for decision-making. However, most of these approaches rely solely on language-based reasoning, which limits their ability to reason and make informed decisions. Recently, a promising new direction has emerged with unified multimodal models (UMMs), which support both multimodal inputs and outputs. We believe such models have greater potential for decision-making by enabling reasoning through generated visual content. To this end, we propose Uni-Plan, a planning framework built on UMMs. Within this framework, a single model simultaneously serves as the policy, dynamics model, and value function. In addition, to avoid hallucinations in dynamics predictions, we present a novel approach self-discriminated filtering, where the generative model serves as a self-discriminator to filter out invalid dynamics predictions. Experiments on embodied decision-making tasks show that Uni-Plan substantially improves success rates compared to VLM-based methods, while also showing strong data scalability, requiring no expert demonstrations and achieving better performance under the same training-data size. This work lays a foundation for future research in reasoning and decision-making with UMMs.

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

Analysing drivers and interdependencies in European electricity markets using XAI

arXiv:2606.19118v1 Announce Type: new Abstract: Electricity markets are inherently complex systems characterised by strong nonlinearities, high-dimensional interactions, and increasing interdependence across regions. While deep neural networks (DNNs) have demonstrated strong predictive capabilities for electricity prices, their lack of interpretability limits their usefulness for understanding the underlying drivers of price formation. This paper addresses this gap by combining DNN models with explainable artificial intelligence (XAI) techniques to analyse the determinants of electricity prices across 39 European bidding zones. We employ SHAP (SHapley Additive exPlanations) to quantify feature contributions and apply and extend SSHAP, an aggregation framework to improve interpretability in high-dimensional settings. The analysis identifies that renewable energy sources, particularly solar, play a disproportionately important role in price formation despite their lower share in total power generation. Gas prices remain a dominant and consistent driver across electricity markets, while interconnections significantly shape price dynamics, highlighting the strong interdependence of European electricity systems. In addition, a synthetic EU-wide electricity market is constructed to explore the counterfactual scenario of a fully integrated market with a single price.

19.
medRxiv (Medicine) 2026-06-22

Virtual Responsive Neurostimulation Implantation: From Intracranial Connectivity to Optimized Lead Placement

Responsive neurostimulation (RNS) is an implanted device that delivers direct brain stimulation for drug-resistant focal epilepsy. Individual responses are highly variable, and no validated framework exists to predict outcome or guide lead placement before implantation. We hypothesized that this variability is partly explained by lead placement in relation to patterns of functional connectivity in brain networks. Fourty-nine patients with drug-resistant focal epilepsy who underwent pre-implantation intracranial EEG (iEEG) and RNS implantation across three independent epilepsy centers were retrospectively studied. We developed a composite functional connectivity score, based on simple Spearman correlation, combining the standard deviation and kurtosis of interictal iEEG connectivity distributions to predict the response outcome in a training cohort (HUP, n=18) and validated in two independent cohorts (NYU, n=17; UCSF, n=14). We accounted for a spatial mismatch between iEEG and RNS electrodes with a distance-based correction. The score was extended to generate patient-specific 3D maps of predicted RNS efficacy across 200 simulated, or virtual RNS, lead configurations. Accuracy of the score in predicting clinical outcome was 72% at the group level, 61% at the individual patient level, and, after distance-based optimization, 100% in patients with RNS electrodes placed close to location of iEEG electrodes. Applied to the validation cohort, the same score reached 68% accuracy (71% balanced accuracy, 55% sensitivity, 88% specificity). The spatial combination of the scores at different SEEG contacts localization gives a spatial score for each patient. Responders showed significantly higher spatial scores than non-responders, supporting that actual RNS lead placement in responders was located in map-identified favorable regions. Interictal iEEG functional connectivity predicts individual RNS response across independent epilepsy centers, and patient-specific 3D maps derived from this biomarker could prospectively guide lead implantation toward favorable network regions, opening a promising avenue toward network-informed RNS surgical planning.

20.
arXiv (CS.LG) 2026-06-18

KEPLA: A Knowledge-Enhanced Deep Learning Framework for Accurate Protein-Ligand Binding Affinity Prediction

arXiv:2506.13196v5 Announce Type: replace Abstract: Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands, overlooking their valuable biochemical knowledge associated with binding affinity. To address this limitation, we propose KEPLA, a novel deep learning framework that explicitly integrates prior knowledge from Gene Ontology and ligand properties to enhance prediction performance. KEPLA takes protein sequences and ligand molecular graphs as input and optimizes two complementary objectives: (1) aligning global representations with knowledge graph relations to capture domain-specific biochemical insights, and (2) leveraging cross attention between local representations to construct fine-grained joint embeddings for prediction. Experiments on two benchmark datasets across both in-domain and cross-domain scenarios demonstrate that KEPLA consistently outperforms state-of-the-art baselines. Furthermore, interpretability analyses based on knowledge graph relations and cross attention maps provide valuable insights into the underlying predictive mechanisms.

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

When Should Agent Trust Be Conditional? Characterizing and Attacking Skill-Conditional Reputation in Agent Swarms

arXiv:2606.14200v1 Announce Type: new Abstract: Open platforms increasingly route tasks among heterogeneous LLM agents–differing in base model, scaffold, and tool stack–whose competence varies sharply by skill: an agent excellent at one skill may be useless at another. The standard reputation approach summarizes each agent by a single global trust score, but that scalar is the wrong object here, because routing every task to the globally most-trusted agent leaves the value of specialization unclaimed. We study skill-conditional trust R(i | k)–the trust to place in agent i for a task requiring skill k, rather than one score per agent–and pose three falsifiable questions: when is conditioning worth it, how much cross-skill evidence should be borrowed, and whether that borrowing is safe. A controlled phase-diagram analysis answers the first two: conditional trust wins only in a specific regime–high agent heterogeneity, sparse per-skill evidence, and correlated skills–and the coupling strength beta that buys this data efficiency is dual-use, because the same cross-skill borrowing is also a laundering channel. On a public benchmark of 14 genuinely heterogeneous AppWorld agents, real pools land inside the beneficial regime–a small but genuine gain, with the per-skill best agent genuinely changing across skills. We then show that an attacker with cheap evidence in one skill and none in a target skill hijacks the conditional router, driving routing regret from 0 to 0.94 on a pool our zero-cost Conditional Information Value Test (CIVT) rates GREEN–while the ungated trust verdict it contaminates reads -0.06 instead of the honest +0.19. A zero-evidence gate bounds the attack but does not eliminate it; we characterize the residual cost under an explicit budget. We do not claim Sybil-resistance–we quantify the trade-off.

22.
arXiv (CS.LG) 2026-06-17

Evaluating Open-Source LLMs for Multi-Label ATT&CK Technique Classification on CTI Reports

arXiv:2606.18166v1 Announce Type: cross Abstract: Classifying Cyber Threat Intelligence (CTI) using MITRE Adversarial Tactics, Techniques, and Common Knowledge (ATT&CK) is essential for proactive defense, but historically required extensive human effort. Pre-Large Language Model (LLM) automation sped up this process, but could not resolve the complex language and multi-step attack patterns found in unstructured CTI reports. LLMs addressed previous limitations by using contextual reasoning to understand unstructured text. However, current evaluations rely on simplified, single-technique sentences that ignore the complexity of real-world CTI reports, which often leads to inflated performance results. Consequently, the baseline performance of open-source LLMs on complex unstructured CTI reports remains unevaluated. To address this gap, we constructed a ground-truth dataset of 2,076 human-annotated sentences (1,281 technique-positive, 795 negative) from 83 complex unstructured CTI reports. These sentences were mapped to 114 unique ATT&CK techniques using a six-phase annotation process, achieving \k{appa} = 0.68 inter-annotator agreement. Using this dataset, we evaluated seven open-source LLMs ranging from 8B to 236B parameters across prompt strategy and temperature configurations. The highest-performing LLM achieved a micro-averaged F1 score of 0.22, establishing the empirical baseline for multi-label ATT&CK classification on complex unstructured CTI. Parameter size showed a statistically significant positive correlation with F1 score. Prompt strategy and temperature produced no statistically significant gains across model configurations. These results indicate that current open-source LLMs are insufficient for production-grade ATT&CK classification. The dataset, benchmark, and findings provide a reproducible foundation for future CTI research.

23.
arXiv (CS.CV) 2026-06-19

Timage: A Generative Text-in-Image Paradigm for Fine-Tuning Vision-Language Models

Multimodal Large Language Models (MLLMs) often lose track of the right image regions during fine-grained spatial reasoning, because a textual query rarely carries any explicit geometric anchor into the pixel domain. Prevailing remedies either rewire the model's weights or pad the prompt with verbose instructions, yet neither reliably pins the language to the correct visual coordinates without eroding the backbone's general competence. We introduce Timage, a paradigm that recasts multimodal understanding as an alignment problem solved at the input: the query is drawn, as a typeset overlay, onto the image itself. The placement and appearance of this overlay are produced by a Constrained Schrödinger Bridge (cSB), an entropic optimal-transport sampler that factorizes layout synthesis into two coupled stochastic stages. The first stage, Region Search, transports noise toward query-aligned image zones while obeying a hard occlusion barrier that protects salient foreground content; the second stage, Appearance Shaping, sizes the glyphs through an ``ink-budget'' regularizer so that the rendered text stays legible and visually balanced. The resulting overlay behaves as an explicit attention beacon that channels the model's focus along spatial semantics. On the VMCBench suite, Timage paired with a modest 7B backbone clearly overtakes far larger proprietary systems as well as parameter-tuned baselines. The study positions deliberate input reconstruction as a powerful, architecture-neutral lever for strengthening multimodal reasoning.

24.
medRxiv (Medicine) 2026-06-18

AlphaGenome identifies a deep intronic variant in a family with PLA2G6-associated neurodegeneration: Closing the diagnostic gap in rare genetic diseases

A molecular diagnosis remains out of reach for a substantial subset of patients with clinically recognizable Mendelian disorders, even after comprehensive next-generation sequencing. Causal variants in non-coding regions are difficult to detect and interpret using standard pipelines. Deep intronic variants that disrupt splicing are a known but underexplored source of pathogenic alleles, and systematic tools to evaluate them at scale have only recently emerged. We aimed to resolve an incomplete genetic diagnosis in two siblings with early-onset parkinsonism, prominent neuropsychiatric features, and autonomic dysfunction consistent with PLA2G6-associated neurodegeneration (PLAN), an autosomal recessive condition. Prior clinical exome sequencing, genome sequencing, Multiplex Ligation-dependent Probe Amplification (MLPA), and long-read sequencing had identified only a single heterozygous PLA2G6 missense variant, c.2132C>G (p.Pro711Arg). We used AlphaGenome to score 91 non-coding variants shared among the affected siblings and their father within 1 megabase of the PLA2G6 locus. The deep-learning model identified an intronic variant (c.2034+355G>A) that was predicted to create a cryptic splice acceptor site that could result in inclusion of a 160-bp cryptic exon. Tissue-specific predictions indicated the aberrant splicing would be detectable in blood, confirmed by junction-spanning RNA-seq reads from an unrelated carrier. This analysis completed a compound heterozygous PLAN diagnosis nearly two decades after symptom onset and demonstrates the utility of sequence-to-function models. Systematic integration of tools like AlphaGenome into rare disease workflows offers a practical, low-barrier route to closing the diagnostic gap for patients with compelling Mendelian phenotypes and incomplete genetic diagnoses.

25.
arXiv (CS.LG) 2026-06-12

Learning on a Razor's Edge: Identifiability and Singularity of Polynomial Neural Networks

arXiv:2505.11846v3 Announce Type: replace Abstract: We study function spaces parametrized by neural networks, referred to as neuromanifolds. Specifically, we focus on deep Multi-Layer Perceptrons (MLPs) and Convolutional Neural Networks (CNNs) with an activation function that is a sufficiently generic polynomial. First, we address the identifiability problem, showing that, for almost all functions in the neuromanifold of an MLP, there exist only finitely many parameter choices yielding that function. For CNNs, the parametrization is generically one-to-one. As a consequence, we compute the dimension of the neuromanifold. Second, we describe singular points of neuromanifolds. We characterize singularities completely for CNNs, and partially for MLPs. In both cases, they arise from sparse subnetworks. For MLPs, we prove that these singularities often correspond to critical points of the mean-squared error loss, which does not hold for CNNs. This provides a geometric explanation of the sparsity bias of MLPs. All of our results leverage tools from algebraic geometry.