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01.
arXiv (CS.CV) 2026-06-12

Reinforcement Learning for Neural Model Editing

作者:

Editing pretrained neural networks requires specialized algorithms tailored to specific objectives. Designing such algorithms is often time-consuming and demands significant effort. We present an exploratory framework that formulates neural model editing as a reinforcement learning problem, where agents modify models using reward feedback. We introduce two environments: MaskWorld, where agents scale weights multiplicatively, and ShiftWorld, where agents apply additive weight updates. The reward function combines a utility-preservation objective with a task-specific editing objective, enabling agents to learn targeted modifications while maintaining overall model performance. We evaluate the framework on bias mitigation in text classification and machine unlearning in image classification, both of which traditionally rely on specialized algorithms. Our results show that the learned policies reduce forget set accuracy to nearly 0% while preserving over 90% retain set accuracy on the unlearning task. In the bias mitigation setting, the learned policies improve bias-related performance by more than 5% while maintaining general classification utility. Our findings show that neural model editing can be cast as a reinforcement learning problem, allowing editing policies to be learned from reward feedback rather than manually engineered for each task.

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

SMSR: Certified Defence Against Runtime Memory Poisoning in Persistent LLM Agent Systems

作者:

arXiv:2606.12703v1 Announce Type: cross Abstract: Retrieval-augmented generation (RAG) agents increasingly run with persistent memory that accumulates across user sessions. This creates a new attack surface: an adversary interacting only through normal channels can inject crafted memories that, once retrieved, steer the agent's responses for future users, without touching model weights or code. We call this Multi-Session Memory Poisoning (MSMP) and show that no existing defence certifies against it; static-corpus defences (RobustRAG, ReliabilityRAG) assume a fixed knowledge base, and heuristic filters are bypassed by fluent enterprise-style text. We present Signed Memory with Smoothed Retrieval (SMSR), the first defence with a certified robustness bound for this setting. Component 1 adds HMAC-SHA256 provenance at write time, blocking unsigned injection. Component 2 applies randomised memory ablation with verdict-based majority voting at query time, bounding the influence of authenticated adversaries. We prove that no provenance-free retrieval-time filter can certify against adaptive injection, derive a hypergeometric certificate for Component 2, and formalise the Consistent Minority Effect, whereby a consistent adversarial answer wins string-based voting as a numerical minority while verdict-based voting removes it. Across 15 enterprise scenarios (3,150 repeated trials), Component 1 cuts attack success from 93-100% to 0% for all unsigned variants. For an authenticated adversary with a single injection, Component 2 holds success to 8.0% (95% CI [5.8, 10.9], n=450), below the certified worst case. In an end-to-end query-only attack where the agent itself writes the poison rather than it being pre-seeded, SMSR reduces success from 65.3% to 5.3% (n=150, non-overlapping CIs) on a live agent stack. Clean-query utility is 90% (Component 1) and 85% (combined).

03.
arXiv (CS.CL) 2026-06-11

BioDivergence: A Benchmark and Evaluation Framework for Hidden Contextual Contradictions in Biomedical Abstracts

Biomedical findings often seem to conflict across studies, but many of these differences are context-dependent rather than true contradictions. Variations in cohort, geography, assay protocol, disease subtype, and clinical setting can make both claims locally valid. Existing NLI and scientific claim-verification benchmarks reduce such cases to entailment, contradiction, or neutral, failing to capture the contextual structure behind divergence. To address this, we introduce BioDivergence, an evaluation framework with a six-class conflict taxonomy, a 13-axis divergence ontology, and four structured outputs per claim pair: conflict type, divergence axes, dominant confounder, and reconciliation explanation. We release BioDivergence-Silver-v1.0, an article-disjoint silver benchmark of 11,865 claim pairs across five biomedical domains, alongside a legacy deduplicated variant for comparison. Results show notable ranking differences between the two variants, with the fine-tuned reference model dropping about 12 points under the article-disjoint setting, while Mistral-7B-Instruct-v0.3 achieves 0.5523 accuracy and 0.3894 contextual-F1 on the 842-example primary test set. BioDivergence offers a more faithful way to distinguish contextual divergence from direct contradiction and to separate article-level memorization from genuine task learning.

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

CoAgent: Concurrency Control for Multi-Agent Systems

arXiv:2606.15376v1 Announce Type: cross Abstract: Multi-agent LLM systems – coding agents, devops agents, document agents – now routinely run several agents in parallel against the same git tree, Kubernetes cluster, or document. As soon as two of them mutate shared state, they enter the regime classical concurrency control has studied for decades, but classical mechanisms fit LLM agents poorly. A single agent transaction spans minutes of inference, read sets are broad and opaque rather than statically inferable, and the live state agents act on admits neither fork nor buffer, so writes take effect the moment they execute. Locks block long inference intervals; OCC abort-and-retry discards minutes of work on every conflict. This paper builds concurrency control on a capability classical transactions lack: the LLM inside each agent can judge whether a conflicting write invalidates its plan, and can repair exactly the operations that depended on it. Control therefore turns advisory: the runtime informs, the agent repairs. Our protocol, MTPO (Monotonic Trajectory Pre-Order), fixes a serialization order at launch, serves each read the order-filtered value, and applies writes speculatively in place; a one-way notification asks an affected reader to re-judge and patch its plan, while the framework mechanically undoes and reorders misplaced writes through the saga-style inverse each tool registers in advance. At quiescence the run is serializable in the pre-decided order. We realize MTPO as CoAgent, toolcall middleware whose privileged ToolSmith grows footprint-declared, undoable tools online. On ten contended workloads, CoAgent stays within 5\% of serial correctness at a $1.4\times$ speedup and near-serial token cost, where 2PL and OCC surrender nearly all concurrency gains; on a bash-only target system, it grows a 25-tool library online and lifts the task pass rate from 45/71 to 63/71 at $0.80\times$ the time and $0.86\times$ the cost.

05.
arXiv (CS.CL) 2026-06-16

CHILLGuard: Towards Fine-Grained Chinese LLM Safety Guardrail with Scalable Data Construction and Model-aware Preference Alignment

Malicious content generated from large language models (LLMs) could pose severe safety risks and ethical concerns. While existing LLM safety guardrails excel in English or multilingual settings, they lack adaptation to Chinese-specific regulatory policies, cultural context and linguistic nuances, failing to support fine-grained risk classification for diverse deployment needs. In this paper, we introduce a 5-macro, 31-micro category fine-grained risk taxonomy for Chinese scenarios, and build CHILLGuard: a dedicated Chinese LLM content safety guardrail. To address the critical scarcity of high-quality annotated Chinese safety data, we propose a scalable multi-stage data construction pipeline: we expand multi-source corpus via retrieval-augmented generation, generate implicit harmful samples through prompt engineering rewriting, and refine high-quality data via multi-model voting-based label calibration. Based on this, we build CHILLGuardTrain, a large-scale training set with 405,007 samples, and CHILLGuardTest, a rigorously curated annotated test set with 51,745 samples. We then train CHILLGuard on CHILLGuardTrain under a generator-classifier collaborative framework via Model-aware Direct Preference Optimization. Extensive experiments under multiple settings demonstrate the state-of-the-art performance of CHILLGuard, e.g., a 15.92% improvement of F1 score over Qwen3Guard-8B-Strict on our benchmark. We will release our resources at https://github.com/cswbyu/CHILLGuard.

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

From Concept-Aligned Tokens to Vulnerable Features: Mechanistic Localization of Jailbreaks

Jailbreak attacks expose a persistent failure mode in safety-aligned LLMs: models can be pushed into harmful behavior, but the internal representations enabling this shift remain poorly localized. Recent mechanistic safety studies often explain such behavior through broad representational objects, including global refusal directions, activation steering vectors, and refusal-related SAE features. We instead ask whether jailbreak vulnerability can be traced to finer-grained, prompt-conditioned SAE feature subgroups. We introduce a token-driven mechanistic pipeline that decomposes the residual stream of Gemma-2-2B into Sparse Autoencoder (SAE) features and identifies feature subgroups associated with unsafe behavior. Using single-category unsafe examples from BeaverTails to reduce cross-category interference, we extract harmful concepts from adversarial responses and align them with concept-relevant prompt tokens through subspace similarity. We then apply three feature-grouping strategies: cluster-based, hierarchical-linkage, and single-token-driven, to identify SAE feature subgroups across all 26 layers. Finally, we amplify the top features in each subgroup and evaluate the resulting generations with a standardized harmfulness judge. Single-token-driven grouping achieves harmfulness comparable to full cluster-based grouping, showing that individual harmful prompt tokens are sufficient to localize vulnerability-relevant SAE feature subgroups without relying on broader cluster-level aggregation. These subgroups appear across early and mid-to-late layers, with stronger concentration in mid-to-late layers, where targeted steering exposes specific model vulnerabilities. Overall, our results suggest that jailbreak susceptibility can be traced to sparse, token-localized SAE feature subgroups, complementing prior accounts based on broad adversarial, refusal, or steering directions.

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

Overcoming State Inertia in Full-Duplex Spoken Language Models via Activation Steering

Full-duplex spoken language models (FD-SLMs) enable seamless speech interaction by allowing models to listen and speak simultaneously, yet the internal mechanism by which they coordinate listening and speaking remains underexplored. We analyze the predictive behavior encoded in FD-SLM hidden representations and find that they exhibit stream-specific predictive patterns: during listening, they preferentially predict the incoming user stream, whereas during speaking, they preferentially predict the model output stream. Building on this observation, we show that FD-SLMs dynamically modulate their internal predictive focus between two states: a generative state aligned with model output generation and a perceptive state aligned with incoming user input. However, this modulation can lag behind abrupt changes in conversational context. During user interruptions, the model remains transiently biased toward the generative state before transitioning into the perceptive state, causing it to miss the beginning of the incoming input. We term this delayed internal transition state inertia. To quantify its downstream impact, we introduce the Zero-Buffer Benchmark (ZBB), a diagnostic benchmark for evaluating immediate interruption comprehension when user speech begins abruptly. We evaluate this setting using response correctness and initial-word occurrence rate (IWOR). Finally, we mitigate state inertia through activation steering with a perception vector, a training-free intervention with little additional computational overhead. Across multiple state-of-the-art FD-SLMs, activation steering substantially improves interruption handling; for example, on PersonaPlex, it improves correctness from 28% to 45% and IWOR from 40% to 72% without any fine-tuning.

08.
arXiv (CS.AI) 2026-06-12

ReSET: Accurate Latency-Critical NVFP4 Reasoning via Step-Aware Temperature Scaling

arXiv:2606.13233v1 Announce Type: cross Abstract: Large reasoning models (LRMs) improve complex problem-solving by generating long intermediate reasoning traces, but this substantially increases inference costs. NVFP4 inference offers a promising approach to reduce both computational and memory costs through hardware-supported low-precision execution. However, directly applying NVFP4 to LRMs introduces two practical limitations: reasoning accuracy degrades under quantization, and existing NVFP4 kernels do not fully realize latency benefits in small-batch autoregressive decoding. In this work, we analyze the effect of NVFP4 quantization on token-level uncertainty during reasoning. We show that quantization increases incorrect sampling at low-entropy symbolic tokens, while causing over-concentration on a small set of tokens in high-uncertainty reasoning steps. Based on this observation, we propose ReSET, a reasoning-step entropy-based temperature-scaling method that estimates step-level uncertainty online and adapts the decoding temperature using both token-level and step-level entropy signals. To address the latency gap, we further design a CUDA-core small-$M$ NVFP4 kernel for latency-critical autoregressive decoding. Across reasoning benchmarks and model scales, ReSET improves NVFP4 reasoning accuracy by up to $\sim\!$2 points over the NVFP4 baseline. Our CUDA-core small-$M$ kernel further improves latency-critical decoding, delivering up to $2.5\!\times$ kernel-level speedup over NVFP4 vLLM and approximately $2\!\times$ end-to-end decoding speedup over BF16. Code is available at https://github.com/aiha-lab/ReSET.

09.
arXiv (CS.CL) 2026-06-12

LAUKIN: A Multi-jurisdictional Common Law Contract Dataset

Multinational companies increasingly require cross-jurisdictional contract review, yet existing legal NLP datasets are largely restricted to a single jurisdiction. We introduce LAUKIN (Legal equivalence dataset of Australia, UK, and INdia), a dataset of clause pairs (AU-UK, UK-IN, IN-AU) labelled for boolean legal equivalence. We develop a novel multi-stage retrieval and reranking pipeline to construct the initial clause pair mapping, with a subset of clause pairs subsequently annotated by legal experts as Equivalent or Not Equivalent. The dataset comprises 14,727 clause pairs from 204 contracts across 8 agreement types, of which 3,000 are manually labelled: 900 train, 600 dev, and 1,500 test. We evaluate 12 models across 4 techniques, achieving a best macro-F1 of 65.11%, establishing LAUKIN as a challenging benchmark. Results reveal that, despite shared legal heritage, drafting conventions diverge significantly across jurisdictions, making cross-jurisdictional equivalence classification non-trivial. LAUKIN also includes 11,727 unlabelled training pairs to support future semi-supervised learning research in legal NLP.

10.
medRxiv (Medicine) 2026-06-18

Comparative Evaluation of Pretrained Large Language Models for Suicide Risk Prediction from Clinical Notes in U.S. Veterans

Background: Suicide remains a significant and potentially preventable cause of death among United States veterans. Predictive models based on structured electronic health record (EHR) data, including the U.S. Department of Veterans Affairs' Recovery Engagement and Coordination for Health-Veterans Enhanced Treatment (REACH-VET) program, aim to identify individuals at elevated risk for enhanced monitoring and follow-up. Increasing evidence suggests that unstructured clinical narratives contain additional psychosocial information that may enhance risk prediction when analyzed using natural language processing (NLP). However, optimal approaches for representing clinical text remain uncertain. Recent advances in large language models (LLMs) enable contextual text representations that capture complex semantic relationships beyond traditional lexical methods. Methods: We compared the predictive performance of pretrained LLMs with classical bag-of-words (BoW) representations for suicide risk prediction using clinical notes from 27,241 veterans receiving care in the Veterans Health Administration. Patients were stratified by REACH-VET risk tier (low, moderate, high), and models were evaluated across prediction windows defined by note look-back periods (

11.
arXiv (CS.AI) 2026-06-17

Physics-Informed Attention Mechanism and Generalization Capability of Deep Learning-Based Grain Growth Evolution Prediction

arXiv:2606.17235v1 Announce Type: cross Abstract: Machine Learning (ML) models for grain growth prediction are typically trained on idealized synthetic data, yet practical applications require generalization to conditions outside the training distribution. This study evaluated the Out-Of-Distribution (OOD) generalization capability of the trained model from our previous study across three test cases, including experimental microstructures, microstructures characterized by a bimodal grain size distribution, and abnormal grain growth. To further probe whether physics-informed architectural design could improve robustness under these different conditions, a boundary-masked attention mechanism was proposed specifically for grain growth, constraining attention to grain boundary pixels. Both the baseline and the proposed physics-informed attention model were evaluated without retraining or fine-tuning on the OOD data. Both models successfully generalized to all three test cases, yet the boundary-masked attention mechanism provided substantial improvements, with the most notable gains for microstructures characterized by a bimodal grain size distribution, where Structural Similarity Index Measure (SSIM) improved from \num{0.6221} to \num{0.7609} and mean grain size ($\overline{R}$) error decreased from \operatorname{SI}{8.75}{\percent} to \operatorname{SI}{3.57}{\percent}. The attention heatmap analysis revealed that the boundary-masked attention model learned to concentrate attention on large grain boundaries in a manner consistent with curvature-driven grain growth physics, emerging from training without being explicitly encoded into the architecture. These results indicate that models trained on synthetic data can generalize to diverse OOD conditions without retraining, and that physics-informed attention may improve accuracy when the boundary morphology matches the training domain.

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

RLPR: Radar-to-LiDAR Place Recognition via Two-Stage Asymmetric Cross-Modal Alignment for Autonomous Driving

All-weather autonomy is critical for autonomous driving, which necessitates reliable localization across diverse scenarios. While LiDAR place recognition is widely deployed for this task, its performance degrades in adverse weather. Conversely, radar-based methods, though weather-resilient, are hindered by the general unavailability of radar maps. To bridge this gap, radar-to-LiDAR place recognition, which localizes radar scans within existing LiDAR maps, has garnered increasing interest. However, extracting discriminative and generalizable features shared between modalities remains challenging, compounded by the scarcity of large-scale paired training data and the signal heterogeneity across radar types. In this work, we propose RLPR, a robust radar-to-LiDAR place recognition framework compatible with single-chip, scanning, and 4D radars. We first design a dual-stream network to extract structural features that abstract away from sensor-specific signal properties (e.g., Doppler or RCS). Subsequently, motivated by our task-specific asymmetry observation between radar and LiDAR, we introduce a two-stage asymmetric cross-modal alignment (TACMA) strategy, which leverages the pre-trained radar branch as a discriminative anchor to guide the alignment process. Experiments on four datasets demonstrate that RLPR achieves state-of-the-art recognition accuracy with strong zero-shot generalization capabilities.

13.
arXiv (CS.CV) 2026-06-17

OpenTie: Open-vocabulary Sequential Rebar Tying System

Robotic practices on the construction site emerge as an attention-attracting manner owing to their capability of tackling complex challenges, especially in the rebar-involved scenarios. Most of existing products and research are mainly focused on the collection of large amounts of data with model training demands. To fulfill this gap, we propose OpenTie, a 3D training-free rebar tying framework utilizing a RGB-to-point-cloud generation and an open-vocabulary rebar detection on the real-world test. We implement the OpenTie via a robotic arm with a binocular camera and guarantee a high accuracy by applying the prompt-based object detection method on the image filtered by our proposed post-processing procedure for the image-to-point-cloud generation framework. Our pipeline requires no training efforts and outperforms the training-based object detection, i.e., YOLO-based method, with the verification on the real-world sequential rebar tying test. The system is flexible for horizontal and vertical rebar tying tasks and holds the potential application to the real construction site with possibility of commercialization.

14.
arXiv (CS.CL) 2026-06-16

SHARD: Safe and Helpful Alignment via Self-Reframing Distillation

Large language models often struggle with sensitive prompts. They may refuse outright, provide generic safety boilerplate, or fail to address the user's legitimate informational needs that can be answered safely. We introduce SHARD, a self-reframing distillation method to improve safe-helpfulness. It first rewrites sensitive prompts to surface benign intent using philosophical guidelines, then reframes its original responses into safe, more helpful ones, and finally fine-tunes the model on its self-reframed responses. Across DNA and the English subset of LINGUASAFE, SHARD improves helpfulness for most model families while preserving safety. It also remains competitive with distillation from a larger teacher model, suggesting that models can internalize safe and helpful behavior elicited from their own. Warning: This paper contains content that may be offensive or harmful.

15.
arXiv (CS.CV) 2026-06-17

Mordal: Automated Pretrained Model Selection for Vision Language Models

Incorporating multiple modalities into large language models (LLMs) is a powerful way to enhance their understanding of non-textual data, enabling them to perform multimodal tasks. Vision language models (VLMs) form the fastest growing category of multimodal models because of their many practical use cases, including in healthcare, robotics, and accessibility. Unfortunately, even though different VLMs in the literature demonstrate impressive visual capabilities in different benchmarks, they are handcrafted by human experts; there is no automated framework to create task-specific multimodal models. We introduce Mordal, an automated multimodal model search framework that efficiently finds the best VLM for a user-defined task without manual intervention. Mordal achieves this both by reducing the number of candidates to consider during the search process and by minimizing the time required to evaluate each remaining candidate. Our evaluation shows that Mordal can find the best VLM for a given problem using $8.9\times$–$11.6\times$ lower GPU hours than grid search. We have also discovered that Mordal achieves about 69\% higher weighted Kendall's $\tau$ on average than the state-of-the-art model selection method across diverse tasks.

16.
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.

17.
arXiv (CS.CL) 2026-06-18

Phonikud: Overcoming Phonetic Underspecification for Hebrew Text-To-Speech

Text-to-speech (TTS) for Modern Hebrew is challenged by the language's orthographic complexity, with existing solutions ignoring underspecified phonetic features such as stress. We present a framework for more phonetically accurate Hebrew TTS with four contributions: (1) Phonikud, an open-source Hebrew grapheme-to-phoneme (G2P) system that outputs fully-specified International Phonetic Alphabet (IPA) transcriptions, designed by augmenting a base diacritizer. (2) The ILSpeech corpus of paired Hebrew audio, text, and expert IPA annotations. (3) A benchmark for the previously unmeasured task of Hebrew G2P conversion. (4) Hebrew audio-to-IPA models capturing previously disregarded phonetic details for automatic TTS evaluation. Our results show that Phonikud more accurately predicts Hebrew phonemes than prior methods, and that small, local TTS models with phonetic input from Phonikud approach large proprietary systems. We release our code, data, and models at https://phonikud.github.io.

18.
arXiv (quant-ph) 2026-06-16

Study of the triangular-lattice Hubbard model with constrained-path quantum Monte Carlo

arXiv:2603.14808v2 Announce Type: replace-cross Abstract: We benchmark constrained-path Monte Carlo (CPMC) on the triangular-lattice Hubbard model for several fillings and $U$ values and show that symmetry-adapted trial wave functions substantially improve quantitative accuracy. Away from half-filling, simple free-electron-based trials that preserve the ground state symmetry yield energy deviations $\lesssim 1\%$ from exact diagonalization and density matrix renormalization group results. At half-filling, strong frustration in the intermediate to large $U$ regimes necessitates symmetry-projected trials to reach comparable accuracy, where both free-electron and symmetry-broken Hartree-Fock trials incur substantial constraint bias. Since the computational cost of CPMC with symmetry projection scales polynomially with system size, our results motivate its use as a practical route for studying competing ground states in strongly correlated, frustrated systems.

19.
arXiv (CS.LG) 2026-06-18

Online Distributional Prediction via Latent Cluster Geometry Under Drift and Corruption

arXiv:2606.18778v1 Announce Type: new Abstract: Online learning in non-stationary streams is often formulated as tracking a point estimate, but many applications require predicting the full data-generating distribution. We study online distributional prediction under drift and adversarial corruption. Our approach represents each candidate law through a latent cluster geometry: a variable-size configuration of centers that organizes probability mass and induces a predictive distribution. A Gibbs quasi-posterior over these configurations yields an online predictor by posterior averaging, and the resulting variable-dimensional posterior can be sampled with reversible-jump MCMC. The method therefore avoids specifying a parametric streaming law while retaining a structured latent space for uncertainty, regularization, and comparison. We evaluate performance by cumulative Wasserstein-1 regret against the time-varying true law. The analysis separates two effects: corruption perturbs the loss-based posterior update, whereas drift makes long-horizon posterior memory stale. We address the latter with a restarted variant that temporally localizes the same quasi-Bayesian update. The resulting high-probability bounds decompose into a PAC-Bayesian complexity term, a corruption-sensitive posterior perturbation term, and a dynamic optimal-transport term driven by \(A_T^{\mathrm{OT}}=\sum_{t=2}^T W_2^2(p_{t-1}^*,p_t^*)\). Under bounded support, stable latent geometry, predictive-map regularity, oracle realizability, localized restart windows, sublinear transport action, and sublinear corruption budget, the restarted predictor achieves sublinear cumulative Wasserstein regret. These guarantees require no parametric model for the stream, drift mechanism, or corruption process.

20.
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/).

21.
arXiv (quant-ph) 2026-06-19

Faking entanglement with imperceptible measurement deviations

arXiv:2606.20396v1 Announce Type: new Abstract: Quantum entanglement is a central resource underpinning emerging quantum technologies, enabling capabilities beyond those of classical systems. Accurate verification of entanglement is therefore crucial. However, experimental schemes usually rely on the assumption that quantum measurements can be realized exactly. As the complexity of a quantum system grows, this assumption typically becomes increasingly unrealistic, therefore leading to a widening mismatch between theoretical models and experimental implementations. Here we demonstrate that arbitrarily small measurement errors, when adversarially encoded in the measurement apparatus, can lead to the false certification of high-dimensional entanglement in systems that are, in fact, separable. This is achieved by introducing explicit hacking attacks to measurement devices in well-established entanglement verification tests. We further experimentally demonstrate this effect using classical photonic states encoded in the spatial degree of freedom, spanning up to 61 dimensions with measurement fidelity errors as low as 0.23%. Our results uncover a fundamental vulnerability in current methods for high-dimensional entanglement detection, highlighting the susceptibility of complex quantum devices to small adversarial perturbations. The findings underscore the need for developing secure verification of quantum information that is robust to bounded discrepancies between theory and experiment.

22.
arXiv (CS.AI) 2026-06-19

Speeding up the annotation process in semantic segmentation industrial applications

arXiv:2606.19934v1 Announce Type: cross Abstract: Current machine learning models commonly require large and well-annotated datasets. However, the annotation process often becomes a bottleneck, with increased complexity leading to higher chances of human errors. Within this context, our goal in this paper is to leverage unsupervised algorithms to improve data annotation efficiency for complex semantic segmentation problems in industrial materials science. Previous research has quantified labeling time and others explored unsupervised methods. However, to the best of our knowledge, this is the first study to quantify how much unsupervised algorithms accelerate the labeling process. We aim to validate the extent to which this laborious process can be accelerated, focusing on semantic segmentation tasks that involve annotating each pixel of high-resolution images, such as the microstructure characterization challenge in materials science. Specifically, we demonstrate that by using unsupervised computer vision algorithms, the time required for the labeling process can be reduced from 170 hours to 37 hours, achieving an approximate reduction of 78\%. The dataset we work with includes large images of dimensions 1280x959 and 960x703, which further increases the complexity of the annotation task. Despite these challenges, we create and share the largest public steel microstructure segmentation dataset to date, available under MIT License with permanent DOI, contributing a fully annotated, high-resolution dataset to the field. Additionally, this is the first work to compare the labeling time from scratch (a common approach in previous studies) to the labeling time when using these unsupervised algorithms as a pre-annotation step. Furthermore, we provide a Deep Learning model trained on this dataset, validated by field experts, and deployed in an industrial setting, serving as an initial benchmark for this public dataset.

23.
arXiv (CS.CV) 2026-06-12

Surflo: Consistent 3D Surface Flow Model with Global State

Geometry is invariant to viewpoint, which makes any collection of images a redundant encoding of a single 3D state. Existing feed-forward reconstruction models fail to exploit this: per-view methods emit overlapping, unaligned pointmaps that grow linearly with input count, while global-latent methods commit to a fixed, low-resolution output. We introduce Surflo, which compresses a variable number of unposed RGB views into K latent tokens-one global state-and decodes oriented 3D surface points by independently transporting them from noise onto the surface via flow matching. This frees the output from any fixed grid or token budget: the same latent yields from a few thousand to a million points in a single forward pass. To suppress the local inconsistencies inherent to independent per-point decoding, an inference-time guidance term correlates nearby points by injecting a photometric gradient during ODE integration. Surflo matches or surpasses feed-forward baselines on surface metrics, runs an order of magnitude faster than optimization-based methods that require hundreds of views, and is the only feed-forward approach to combine a global latent with arbitrary-resolution decoding.

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

A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development

arXiv:2606.19230v1 Announce Type: new Abstract: This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.