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

VIMPO: Value-Implicit Policy Optimization for LLMs

arXiv:2606.20008v1 Announce Type: new Abstract: Reinforcement learning with verifiable rewards has become a central tool for improving the reasoning ability of large language models, but current methods face a trade-off between simplicity and credit assignment. Group-relative methods such as GRPO avoid training a critic, but typically assign a trajectory-level advantage to every token. Actor-critic methods provide denser learning signals, but require a learned value function with its own training instability. We introduce VIMPO, a critic-free policy optimization method that derives a policy-implied value function from the optimality conditions of KL-regularized reinforcement learning. For autoregressive generation, the resulting value recurrence can be written in terms of policy-reference log-ratios and anchored by the terminal condition that no future reward remains at the end of a trajectory. This gives a simple value loss that incorporates outcome-level verifiable rewards without training a critic. The same derivation also yields a critic-free actor advantage, allowing VIMPO to separate reward incorporation through the value loss from policy improvement through a PPO-style actor update. On mathematical RLVR benchmarks, VIMPO improves over GRPO across MATH-500, AIME 2024, AIME 2025, and OlympiadBench, with especially larger gains on competition-style evaluations. Under noisy rewards, VIMPO retains a consistent advantage over GRPO, suggesting that policy-implied value optimization can provide finer credit assignment while preserving the practical simplicity of critic-free training.

02.
arXiv (CS.CV) 2026-06-12

Emerging Flexible Designs for Geospatial Multimodal Foundation Models

Foundation models are rapidly transforming Earth observation by enabling scalable pretraining across diverse unlabeled geospatial modalities. However, their architectural diversity ranging from encoder-only to encoder-decoder and masked autoencoding paradigms makes it challenging to assess performance trade offs in a consistent manner. In this work, we present an apples-to-apples comparison of leading FM architectures designed for geospatial multimodal reasoning, with a particular focus on flexibility across varied spectral band configurations. We standardize pretraining using identical self supervised learning objectives and training datasets, and evaluate all models under consistent parameterization on the GEOBench benchmark across classification and segmentation tasks. Our results offer new insights into the design trade-offs between model flexibility, modality alignment, and downstream task performance. By highlighting architectural strengths and limitations under controlled conditions, this study provides practical guidance for building next generation geospatial foundation models capable of robust multimodal reasoning.

03.
arXiv (CS.CL) 2026-06-19

Disentangling Linguistic Relatedness from Task Alignment in Cross-Lingual Transfer

We study cross-lingual transfer by fine-tuning seven large language models (4B–671B parameters) on Arabic and evaluating zero-shot reading comprehension on Semitic languages and non-Semitic controls. Across dense and Mixture-of-Experts architectures, we find no evidence of Semitic-specific transfer: models with weak baselines improve dramatically across all languages, while strong-baseline models show only marginal gains regardless of language family. A chain-of-thought ablation reinforces this finding – the same models that benefit most from fine-tuning benefit equally from inference-time reasoning, suggesting both mechanisms address task-format alignment rather than cross-lingual knowledge transfer.

04.
PLOS Medicine 2026-05-06

Point-of-care early infant HIV diagnosis at birth in a pragmatic cluster-randomized trial in Mozambique and Tanzania: A comparative cost and cost-effectiveness study

Authors:

by Kira Elsbernd, Issa Sabi, Ilesh V. Jani, Chishamiso Mudenyanga, Siriel Boniface, Arlete Mahumane, Joaquim Lequechane, Falume Chale, Bindiya Meggi, Kassia Pereira, Raphael Edom, Anange F. Lwilla, W. Chris Buck, Nyanda Elias Ntinyinya, Michael Hoelscher, Till Baernighausen, Arne Kroidl, Stefan Kohler, the LIFE Study Consortium Background Timely access to early infant diagnosis (EID) is crucial for newborns with HIV, as late diagnosis can delay lifesaving antiretroviral treatment (ART). We assessed the comparative cost and cost-effectiveness of integrating point-of-care EID at birth into routine care in primary healthcare settings. Methods and findings This pre-specified secondary analysis was nested in the cluster-randomized LIFE study conducted at 28 primary healthcare facilities in Mozambique and Tanzania from October 2019 to September 2021. We estimated the health system cost of point-of-care birth plus 4–8-week HIV testing (very early infant diagnosis; VEID) compared to standard-of-care (SoC) testing at 4–8 weeks only, both with immediate ART initiation. We assessed the cost-effectiveness of VEID relative to SoC with respect to ART initiation within one week of life using Bayesian hierarchical models. As this is an intermediate outcome, incremental cost-effectiveness ratios (ICERs) cannot be directly compared to available life-year-based cost-effectiveness thresholds. To contextualize results, we derived the minimum life-years gained per early ART initiation required for VEID to meet standard thresholds in a break-even analysis.VEID was associated with a higher cost and resulted in earlier ART initiation than SoC in both countries. In Mozambique, VEID increased the proportion of infants initiating ART within one week of life by 90.0 (95% CrI [67.5, 98.5]) percentage points at an incremental cost of $2,632 (95% CrI [$2,249, $3,062]) per infant with HIV. In Tanzania, VEID increased early ART initiation by 59.9 (95% CrI [20.9, 89.5]) percentage points at an incremental cost of $6,263 (95% CrI [$5,394, $7,243]) per infant with HIV. The ICER was $2,924 and $10,458 in Mozambique and Tanzania, respectively and was sensitive to intrauterine transmission rate. These findings were limited by the lack of long-term health outcome data and reliance on an intermediate outcome. Based on the break-even analysis, we estimated that VEID would need to yield 6–32 life-years gained per additional early ART initiation to meet standard thresholds. Conclusions Adding birth testing improved early ART initiation but was unlikely to be cost-effective relative to standard thresholds given current prices, vertical transmission rates, and knowledge of long-term health benefits. Cost-effectiveness could be achieved at current costs if early ART translates to substantial long-term health benefits or if targeted to infants at high risk of vertical transmission.

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

Universal Design and Physical Applications of Non-Uniform Cellular Automata on Translationally Invariant Lattices

arXiv:2605.13379v2 Announce Type: replace Abstract: Motivated by recent theoretical and experimental advances, hyperbolic lattices have emerged as a paradigmatic setting in which geometry becomes an active organizing principle of quantum systems. Their negative curvature, exponential volume growth, and non-Abelian translation symmetry make them fundamentally distinct from Euclidean lattices and give rise to rich geometry-dependent physics, but also hinder the direct application of well-established analytical and computational approaches originally developed for physical systems defined on Euclidean lattices. To establish a unified framework for geometry-dependent physics on Euclidean and hyperbolic lattices, we develop higher-order non-uniform cellular automata (NUCA) as a local-to-global construction for translationally invariant regular lattices. This construction derives geometry-dependent update rules through a lattice-deforming procedure that embeds hyperbolic lattices into a Euclidean square lattice, thereby encoding hyperbolic geometry while preserving physical locality. It thus provides a systematic route toward quantum and classical physics on hyperbolic lattices. We demonstrate the framework in three applications ranging from quantum many-body physics to non-equilibrium statistical physics. First, on the hyperbolic $\{5,4\}$ lattice, a linear NUCA generates exactly solvable subsystem symmetry-protected topological (SSPT) models and spontaneous subsystem symmetry-breaking models. Second, as a quantum generalization, we construct non-uniform Clifford quantum cellular automata (CQCA) for the hyperbolic cluster state. Third, we formulate a probabilistic NUCA for directed percolation (DP) on the hyperbolic lattice.

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

Can Language Model Agents be Helpful Circuit Explainers in Mechanistic Interpretability?

arXiv:2606.24026v1 Announce Type: new Abstract: Mechanistic interpretability has made substantial progress in automatically localizing circuits, but explaining what localized components do remains labor-intensive and difficult to standardize. In this work, we study whether language model (LM) agents can assist with this explanation problem once a circuit has already been identified. We introduce AgenticInterpBench, a benchmark for circuit explanation built from 84 semi-synthetic transformer circuits with 163 component-level annotations. We propose HyVE (Hypothesize, Validate, Explain), an agentic explainer that analyzes each component through an iterative loop of observation, hypothesis generation, and causal validation, eventually producing a component-level explanation and a circuit-level task description. Across four LM backbones, HyVE recovers useful component- and task-level explanations, but no backbone is uniformly best. Our analysis shows that strong backbones usually form observation-grounded hypotheses, while failures more often arise later in the validation loop, through incomplete validation plans, code execution errors, or unresolved hypotheses. A case study on an arithmetic circuit in Llama-3-8B shows that the same formulation can extend beyond semi-synthetic benchmarks to naturally trained models. Overall, LM agents are promising circuit explainers, but reliable validation remains the key obstacle.

07.
arXiv (CS.AI) 2026-06-16

Greed Is Learned: Visible Incentives as Reward-Hacking Triggers

arXiv:2606.16914v1 Announce Type: new Abstract: Deployed agents increasingly act with their reward proxy in view, such as a balance, score, or KPI dashboard. We show that reinforcement learning can make a policy addicted to such a visible self-benefit channel. It chases the displayed payoff across held-out domains, sacrifices the true task to do so, and follows the channel wherever we rewrite it, while policies that never saw the channel stay honest. We call this reward-channel addiction and study it in MoneyWorld, a synthetic sandbox. The addiction can flip a model's safety alignment: trained only on innocuous money tasks with no safety content, the model abandons the safe action it otherwise always takes whenever a dashboard pays for an unsafe one, and reverts to safe once the channel is hidden. This learned bribe replicates across model scales and families. Blindly optimizing super-capable, next-generation AI on KPIs or P\&L can be dangerous for alignment. Greed is learned when following such a channel pays.

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

Bilevel Data Curation for LLM Fine-tuning: Offline Selection and Online Self-Refining Generation

Supervised fine-tuning (SFT) datasets are critical to the downstream performance of large language models, yet they often contain low-quality or harmful question-response pairs. To improve SFT data quality, we develop a unified bilevel framework that combines offline data selection with the online self-refining generation. In the offline setting, bilevel data selection (BDS) selects question-response pairs from the offline SFT dataset to maximize the validation performance. We theoretically show that the optimal model given by BDS outperforms direct data mixing approach in useful data coverage. Moreover, we provide a global convergence analysis for gradient-based BDS approach for one-layer Transformer, showing that the epsilon-global optimum of offline BDS is achievable in finite time. Although efficient, offline BDS discards potentially harmful questions together with responses, thereby reducing question diversity. We address this limitation by refining the responses to selected questions using online self-refining generation framework. However, BDS is inefficient to update the response weights when responses are regenerated online. To address this issue, we introduce bilevel multi-objective optimization (BMO) for response-level weighting. We show that BMO recovers the same validation-aligned solution as BDS, but admits a closed-form importance-ratio weight that adapts to regenerated responses. Experiments on LLM quality enhancement and safety-aware fine-tuning demonstrate that the proposed framework consistently improves both data quality and downstream fine-tuning performance.

09.
medRxiv (Medicine) 2026-06-22

Multisite Real-World Validation of an Electronic Health Record-Integrated Generative Artificial Intelligence Tool for Venous Thromboembolism Risk Stratification

Background: Guiding risk-appropriate inpatient thromboprophylaxis requires venous thromboembolism (VTE) risk stratification; however, reliable risk determination remains inconsistent in routine care. Health systems increasingly pilot artificial intelligence (AI) tools, yet few studies demonstrate rigorous evaluation in the context of a learning health system (LHS). We evaluated the performance of a pilot electronic health record (EHR)-integrated generative AI (GenAI) system, inHealth General Reasoner (iHGR), for VTE risk stratification versus clinician order set classifications and physician-adjudicated chart review. Methods: This multisite retrospective validation study included adult inpatient admissions at Johns Hopkins Medicine between June 21, 2025, and Dec 18, 2025 (checklist-based order set from June 21, 2025 - November 19, 2025, and clinician judgement-based order set from November 29 - December 18, 2025). From 758 eligible admissions, we randomly sampled 500 balanced by site and order set periods. iHGR and clinician-selected order set classifications were compared with the reference standard (RS). Primary outcomes were iHGR sensitivity and specificity. Secondary analyses compared the order sets with the same RS to evaluate workflow comparators and error patterns. Results: iHGR achieved 81.8% sensitivity (95% CI 77.3-85.6) and 70.9% specificity (63.6-77.3). The checklist-based order set had 61.3% sensitivity (53.7-68.5) and 86.2% specificity (77.4-91.9). The clinician judgement-based order set had 78.1% sensitivity (71.3-83.7) and 65.4% specificity (54.3-75.0). False-negative iHGR classifications were associated with missed narrative risk factors. Conclusion: iHGR showed higher sensitivity for VTE risk than checklist-based order sets and clinician judgement without introducing systematic bias. In silico evaluation of pilot AI systems within LHSs can identify clinically important performance trade-offs and implementation targets before operational scale-up. Narrative clinical data abstraction remained a key limitation, supporting the use of GenAI to support rather than supplant clinician judgement.

10.
arXiv (CS.LG) 2026-06-15

Dynamic Free-Rider Detection in Federated Learning via Simulated Attack Patterns

arXiv:2604.04611v2 Announce Type: replace Abstract: Federated learning (FL) enables multiple clients to collaboratively train a global model by aggregating local updates without sharing private data. However, FL often faces the challenge of free-riders, clients who submit fake model parameters without performing actual training to obtain the global model without contributing. Chen et al. proposed a free-rider detection method based on the weight evolving frequency (WEF) of model parameters. This detection approach is a leading candidate for practical free-rider detection methods, as it requires neither a proxy dataset nor pre-training. Nevertheless, it struggles to detect ``dynamic'' free-riders who behave honestly in early rounds and later switch to free-riding, particularly under global-model-mimicking attacks such as the delta weight attack and our newly proposed adaptive WEF-camouflage attack. In this paper, we propose a novel detection method S2-WEF that simulates the WEF patterns of potential global-model-based attacks on the server side using previously broadcasted global models, and identifies clients whose submitted WEF patterns resemble the simulated ones. To handle a variety of free-rider attack strategies, S2-WEF further combines this simulation-based similarity score with a deviation score computed from mutual comparisons among submitted WEFs, and separates benign and free-rider clients by two-dimensional clustering and per-score classification. This method enables dynamic detection of clients that transition into free-riders during training without proxy datasets or pre-training. We conduct extensive experiments across three datasets and five attack types, demonstrating that S2-WEF achieves higher robustness than existing approaches.

11.
arXiv (CS.CV) 2026-06-16

SceneCraft: Interactive System for Image Editing via Scene Graph

Recent advances in generative AI have enabled natural language-driven image editing, yet existing systems often fail in complex scenes with multiple interacting objects because they rely heavily on users crafting precise text prompts. To address the absence of structured control, we propose SceneCraft, a novel interactive framework that bridges user intent and model execution by representing images as editable scene graphs. Instead of guessing text prompts through trial and error, users interact directly with a visual graph to perform complex spatial and relational operations. These graph modifications are automatically translated into precise, context-aware editing prompts, effectively eliminating linguistic ambiguity. To ensure robust and diverse results, structured prompts are dispatched to multiple state-of-the-art generative models. Evaluations across diverse editing scenarios show that SceneCraft provides a more intuitive control mechanism, significantly reducing the cognitive burden of manual prompt engineering while generating outputs that users consistently rate as higher in quality and fidelity.

12.
arXiv (CS.CL) 2026-06-15

A Computational Audit of Demographic Association Encoding in ClinicalBERT Language Predictions

Transformer-based clinical language models are increasingly integrated into high-stakes clinical decision support pipelines, yet the computational mechanisms through which demographic associations encoded in medical documentation propagate into model probability distributions remain empirically underspecified. We present a systematic computational audit of representational bias in ClinicalBERT (Alsentzer et al., 2019), a BERT-based model pretrained on MIMIC-III discharge summaries, employing two complementary probing methodologies: Log Probability Bias Analysis (LPBA), which quantifies demographic descriptor-induced shifts in masked token probability distributions across behavioral and evaluative semantic categories, and Masked Language Model-based analysis (MLM), which probes internal representational structure for demographic agency attribution encoding across 98 real clinical sentence templates and eight intersectional race-gender combinations. Corpus frequency analysis operationalizes the distinction between statistical disparity and bias amplification by benchmarking model outputs against empirical term frequencies in the MIMIC-III training corpus. Of 32 statistically significant findings, 65.6% contradict observed corpus distributions, rising to 80% for Black patients and 87.5% for agency attribution under MLM probing, providing direct empirical evidence that representational bias in ClinicalBERT operates predominantly through model-internal amplification rather than training data inheritance. Keywords: natural language processing, clinical documentation, algorithmic auditing, representational bias, health equity 1

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

The Art of Interrogation: Consistency Amplifies Factuality in Spatial Reasoning

arXiv:2606.11918v1 Announce Type: new Abstract: Current Large Reasoning Models (LRMs) exhibit remarkable general capabilities but significantly underperform in spatial reasoning tasks. Existing approaches treat this gap as a knowledge deficit, relying on supervised fine-tuning (SFT) to ingest labeled spatial data from external vision sources or synthetic engines. In contrast, we argue that for many tasks, spatial reasoning capabilities are already present in pre-trained LRMs but require alignment through logical coherence under geometric 2D and 3D constraints. In this work, we propose a self-supervised reinforcement learning (RL) framework that targets the internal reasoning process without requiring ground-truth annotations. By formalizing the notion of consistency verifiers – reward functions that check for geometric and semantic consistency under transformations – we demonstrate that models can improve their spatial reasoning abilities. We use both image transformations, like flipping, and textual transformations, like swapping the order of objects in the question, and propose a new optimal transport-based RL strategy, OT-GRPO, which is a minimal-matching variant of group relative policy optimization tailored to pairwise verifiers. We show that this label-free consistency training approaches the accuracy of models trained with ground-truth supervision and achieves similar generalization across diverse tasks and data domains.

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

Feature-preserving Latent-EnKF for Data Assimilation of Flows with Shocks

arXiv:2606.12559v1 Announce Type: cross Abstract: The ensemble Kalman filter (EnKF) is widely adopted for sequential data assimilation, but fails for solutions with discontinuities, such as shocks in compressible flows. Uncertainty in shock location induces multimodal ensemble statistics that violate the Gaussian assumptions underlying the EnKF, producing large-scale spurious oscillations in the analysis state. We introduce a feature-preserving latent-EnKF that performs the ensemble update in a learned low-dimensional latent space, where shock and flow features admit a smooth manifold representation, thereby preserving sharp features during EnKF analysis. The updated latent state is mapped back to physical state through a shared decoder for all ensemble members. The algorithm eliminates the member-specific ordered training and positivity flooring used in prior approaches. Numerical experiments on a Sod shock tube and Mach 2 shock interaction with a 2D cylinder, using sparse and noisy observations, show accurate feature recovery of shocks and contact discontinuities without spurious oscillations.

15.
arXiv (CS.CL) 2026-06-24

One Year Later...The Harms Persist, But So Do We!

General-purpose large language models (LLMs) are increasingly used for mental health-related conversations, yet safety safeguards remain inadequate and inconsistent across clinical conditions. This study evaluates six proprietary LLMs across 16 DSM-5 conditions using four adversarial attack variants, introducing an eight-dimension harm taxonomy and a multi-dimensional evaluation framework. Results show that safeguards hold reliably only for suicide and self-harm, while conditions such as eating disorders, substance use disorder, and major depressive disorder exhibit failure rates of up to 100%. We argue that ethical design and deployment of these LLMs demand clearly defined harm categories across clinical conditions and implementation of safeguards accordingly. Until such safeguards are in place, these models pose significant risks to vulnerable populations, making their growing integration into educational settings a particularly concerning.

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

UST-GNN: A Unified Spatial–Topological Graph Neural Network Framework for Urban Analytics–Demonstrated through a Case Study on Urban Health Prediction

arXiv:2504.04739v3 Announce Type: replace Abstract: Understanding how social, demographic, environmental, and spatial factors jointly shape urban outcomes is essential for sustainable urban development and evidence-based policy. Traditional statistical approaches often struggle to capture complex non-linear relationships, while many machine learning methods overlook the joint roles of spatial autocorrelation and network topology in urban systems. Recent advances in GeoAI have addressed these challenges only partially, often treating spatial effects, graph structure, evaluation, and interpretability separately. We present UST-GNN, a unified spatial–topological graph neural network framework that integrates neighbourhood connectivity, heterogeneous urban features, and positional/locational embeddings into a single representation. Using the MedSAT dataset, which contains over 150 environmental and socio-demographic variables and six prescription outcomes across 4,835 neighbourhoods in Greater London, UST-GNN outperforms strong statistical, geographically enhanced, and graph Machine Learning baselines, improving out-of-sample $R^2$ by 8.4–13.2\% under strict spatial cross-validation. We further introduce a lightweight principal-component module to interpret learned node embeddings geographically and relate them to policy-relevant covariates. The resulting analyses recover established patterns, offer new perspectives on debated associations, and reveal novel predictors warranting further causal investigation. Together, these findings demonstrate the value of graph-based spatial machine learning for urban health analytics, environmental inequality assessment, and evidence-based urban policy. Beyond predictive gains, UST-GNN provides a unified GeoAI analytical pipeline that can be embedded into urban digital twin workflows for scenario testing, monitoring, and data-informed decision-making for healthier, more sustainable cities.

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

Trustworthy Image Authentication using Forensic Knowledge Graphs

Advances in generative AI have made image falsification highly realistic, demanding trustworthy authentication systems. Existing forensic detectors can target certain forgery types but lack interpretability, while vision-language models (VLMs) provide explanations but cannot exploit forensic traces for reliable detection. We propose Forensic Knowledge Graphs (FKGs), a unified framework that integrates forensic evidence extraction, structured reasoning, and human-interpretable explanation. Our FKG structure encodes forensic traces along with their causal dependencies and links to scene content. To generate accurate FKGs, we introduce a novel forensic authentication network and an Iterative Context Refinement strategy that guides VLMs to produce faithful, grounded explanations. We also present FKG-50K, a dataset of 50,000 realistic forgeries with ground-truth FKGs. Experiments demonstrate that FKG outperforms both forensic detectors and VLMs in detection, forgery identification and localization, and forensic justification.

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

Explainable deep learning improves human mental models of self-driving cars

arXiv:2411.18714v3 Announce Type: replace-cross Abstract: Self-driving cars increasingly rely on deep neural networks to achieve human-like driving. The opacity of such black-box planners makes it challenging to accurately anticipate when they will fail, with potentially catastrophic consequences. While research into interpreting these systems has surged, most of it is confined to simulations or toy setups due to the difficulty of real-world deployment, leaving the practical utility of such techniques unknown. Here, we introduce the Concept-Wrapper Network (CW-Net), a method for faithfully explaining the behavior of machine-learning-based planners that causally grounds their reasoning in human-interpretable concepts without sacrificing performance. We deploy CW-Net on a real self-driving car and show that the resulting explanations improve the human driver's mental model of the vehicle, allowing them to better predict its behavior, particularly in surprising situations. This demonstrates that explainable deep learning integrated into self-driving cars can be both understandable and useful in a realistic deployment setting. We anticipate our method could be applied to other safety-critical systems, such as autonomous drones and robotic surgeons, as well as to other architectures, such as end-to-end learning systems and vision-language-action models. Overall, our study establishes a deployment-validated pathway to interpretability for autonomous agents, which could help make them more transparent and safe.

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

OncoSynth: Synthetic data generation for treatment effect estimation in oncology

arXiv:2606.25762v1 Announce Type: cross Abstract: In oncology, access to patient-level data is often restricted. Synthetic data provides an alternative for analyzing treatment effectiveness, but existing methods for synthetic data generation fail to preserve the causal relationships between covariates, treatments, and outcomes, thereby leading to biased estimates of treatment effects. Here, we introduce OncoSynth, a generative, causally-aware machine learning framework designed to produce synthetic cohorts that enable accurate estimation of population- and patient-level treatment effects. OncoSynth uses a diffusion-based sequential approach to model how covariates influence treatment assignment and how treatment affects survival. We evaluate OncoSynth using large lung (N = 37,128) and breast cancer (N = 17,046) cohorts. Our results show that OncoSynth generates high-fidelity synthetic patient cohorts that preserve real-world patient, treatment, and outcome distributions. Notably, OncoSynth improves treatment effect estimation over existing approaches, by reducing population-level treatment effect error by up to 66%, and patient-level treatment effect error by up to 58%. Thereby, OncoSynth supports reliable evidence generation for precision oncology in settings where data sharing is restricted.

20.
arXiv (quant-ph) 2026-06-17

Fermionic Hamiltonian engineering with local control

arXiv:2606.17158v1 Announce Type: new Abstract: Quantum simulators enable the exploration of complex quantum phenomena in condensed-matter systems by reproducing their dynamics on controllable quantum devices. However, experimental constraints often restrict the class of Hamiltonians that can be realized natively. Hamiltonian engineering addresses this limitation by expanding the set of accessible target Hamiltonians from a fixed system Hamiltonian defined by the hardware. We introduce a new framework for fermionic Hamiltonian engineering based on conjugating free evolution under the system Hamiltonian with sequences of experimentally feasible local fermionic unitaries. The required sequences and free-evolution times are obtained efficiently via a linear program. By interleaving system evolution with these local unitaries, our method realizes effective time evolution under a broad class of target Hamiltonians, with intrinsic robustness to finite-pulse-time errors. In particular, we demonstrate that arbitrary complex tunnelling coefficients can be realized, constrained only by the connectivity of the underlying system Hamiltonian. We illustrate this capability by engineering the dynamics of the non-interacting Harper-Hofstadter model on a 1088-mode lattice and an interacting Fermi-Hubbard chain with complex tunnelling coefficients. By construction, our approach avoids the continuous energy absorption inherent to Floquet engineering.

21.
arXiv (CS.AI) 2026-06-25

Stabilizing black-box algorithms through task-oriented randomization

arXiv:2606.25269v1 Announce Type: cross Abstract: As black-box models become foundational to modern research, ensuring their stability is paramount for the realization of trustworthy artificial intelligence. The inherent diversity of inputs - ranging from structured Gaussian distributions to complex data with unknown structures - poses a significant challenge: how to stabilize black-box outputs while effectively leveraging available prior information. This paper introduces a task-oriented randomization methodology that adaptively tailors its strategy to the underlying generative mechanisms of the input data, specifically addressing unstructured complexities. A comprehensive suite of stability guarantees is proposed. Beyond establishing rigorous theoretical foundations for stability, the research provides a detailed analysis of the intrinsic trade-off between stability and exploration. Motivated by the architecture of Large Language Models, the framework is further extended to top-k ranking problems. The validity and effectiveness of the proposal are demonstrated through extensive numerical simulations and applications to the real-world dataset.

22.
bioRxiv (Bioinfo) 2026-06-13

ADMETron: An AI-driven SaaS platform for comprehensive ADMET prediction and compound prioritisation

ONTOSIGHT(R) ADMETron is an AI-driven platform designed for rapid prediction and visualization of Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties to support modern drug discovery. The platform integrates an interactive web interface with a scalable predictive engine, enabling high-throughput virtual screening and batch analysis of chemical compounds. Its core architecture combines recurrent neural network (RNN)-derived molecular embeddings from SMILES representations with physicochemical descriptors, which are subsequently modeled using gradient boosting machines (GBMs). This framework provides predictions across 34 ADMET endpoints, including physicochemical properties, absorption, CYP450 interactions, hERG liability, and mutagenicity. The predictive performance of ADMETron was evaluated using benchmark datasets from the Therapeutics Data Commons (TDC), demonstrating strong performance and generalizability across both classification and regression tasks. Beyond predictive modeling, the platform introduces an interactive radar graph-based structure-activity relationship (SAR) visualization framework that enables real-time comparison of multiple compounds and reference drugs across selected ADMET parameters. This feature facilitates intuitive interpretation of multidimensional molecular profiles and supports lead optimization and compound prioritization. Comparative assessment against widely used online ADMET tools further demonstrated broad endpoint coverage spanning pharmacokinetic, physicochemical, toxicity, and medicinal chemistry properties within a unified environment. Together, these capabilities establish ADMETron as a comprehensive platform for ADMET assessment and data-driven decision-making in drug discovery. (https://admetron.partex.ai/).

23.
arXiv (CS.CV) 2026-06-11

Task-Aligned Stability Analysis of Vision-Language Models for Autonomous Driving Hazard Detection

Vision-language models (VLMs) are increasingly used for scene understanding in autonomous driving, but robustness analysis often relies on task-agnostic embedding stability alone. We study whether corruption-induced embedding drift predicts changes in a task-aligned hazard score derived from CLIP image-text similarities. Using controlled corruptions on BDD100K road scenes, we compare embedding drift against margin drift, defined as the change in hazard score under perturbation. The relationship is highly corruption-dependent: some families exhibit strong coupling between representation drift and decision drift, while others induce hazardous decision instability despite relatively modest embedding change. Furthermore, corruption families differ in failure direction: most suppress hazard detections via false negatives, while occlusion instead triggers false alarms, suggesting that benchmark design should account for asymmetric failure modes, not just overall instability rates. These results suggest that robustness benchmarks should include task-aligned stability measures in addition to embedding-level perturbation statistics.

24.
arXiv (CS.CV) 2026-06-16

Trusting Right Predictions for Wrong Reasons: A LIME Based Analysis of Deep Learning Interpretability in Lung Cancer Diagnosis

Lung cancer is the leading cause of cancer-related mortality, with approximately 2.5 million new cases and 1.8 million deaths annually, making reliable diagnosis a clinical priority. Although deep learning models have achieved strong performance in lung cancer classification, evaluation has largely focused on predictive accuracy, leaving their decision-making processes insufficiently examined. This study compares three architecturally distinct models: a Convolutional Neural Network (CNN), a pretrained ResNet50, and a Vision Transformer (ViT), trained on the IQ-OTH/NCCD lung cancer CT dataset. Local Interpretable Model-Agnostic Explanations (LIME) were applied to investigate model reasoning. In addition to standard performance metrics, a dual-correlation framework was introduced to measure both prediction agreement and explanation agreement across model pairs. All three models achieved strong classification performance, with ResNet50 attaining 98.61% accuracy, CNN 97.91%, and ViT 93.75%, while all achieved ROC-AUC scores of 0.99. Prediction correlations exceeded 0.99 across all model pairs, indicating highly consistent outputs. However, LIME explanation correlations remained below 0.26, revealing substantial differences in the image regions used to reach those predictions. Analysis of misclassified samples further identified a consistent spatial pattern: incorrect predictions were associated with attention outside the lung parenchyma, whereas correct predictions focused primarily within lung regions. These findings demonstrate that prediction agreement is a poor proxy for reasoning consistency, and that interpretability evaluation must be treated as an independent validation criterion alongside predictive performance in clinical AI systems.

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

Closing the Calibration Gap in Semantic Caching

Semantic caching cuts LLM inference costs by serving a cached response to semantically similar queries. Standard practice evaluates these systems using PR-AUC, a metric that only measures how well scores rank and ignores whether they are usable at a fixed threshold. We show this mismatch leads to systematically poor deployment choices, as models with the highest PR-AUC are often the worst in operation. We introduce Precision-Cache Hit Ratio (P-CHR) AUC, a cache-aware metric that measures precision across cache utilization levels, and Calibration Retention Rate (CRR), which captures how much offline ranking quality survives at deployment. We decompose the operational gap between offline and deployed quality into a recoverable calibration component and an irreducible structural component fixed by the dataset's positive rate. Our experiments show that the calibration gap is governed by the training objective rather than data scale, and post-hoc calibration only partially closes it. Ultimately, model selection for semantic caching is a calibration problem, not a ranking one, and measuring it is the first step to closing the gap.