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01.
arXiv (CS.AI) 2026-06-15

FactoryLLM: A Safe and Open-Source AI Playground for Evaluating LLMs in Smart Factories

arXiv:2606.14119v1 Announce Type: new Abstract: Fault diagnostics and recovery in smart factories is challenging because critical information is dispersed across manuals of multiple machines which are interconnected through the manufacturing process. Large Language Models (LLMs) can provide a promising approach. In this paper, we propose FactoryLLM, a safe and open-source AI playground designed for evaluating different LLM-based retrieval-augmented generation (RAG) models by analysing documents from multiple machines across the manufacturing process. FactoryLLM enables the user to configure the LLM, and assess performance when reasoning over multiple documents, through a dual evaluation setup using both RAGAS and NVIDIA's LLM-as-a-Judge metrics. FactoryLLM is safe because it allows users to run local or open-source LLMs without sharing sensitive industrial data, providing a controlled environment for experimentation. We demonstrate the efficacy of FactoryLLM through a case study which involves an Autonomous Intelligent Vehicle and its Mobile Planner software, evaluating three LLMs across 30 maintenance queries derived from approximately 600 pages of cross-machine documentation. The results suggest that FactoryLLM is effective in cross-machine document reasoning: every model achieved a groundedness score above 0.88. The full code and documentation for community to test FactoryLLM with their manufacturing specific scenarios are publicly available.

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

Triangle Splatting SLAM

We present a dense RGB-D SLAM system using differentiable triangles as the 3D map representation. While 3D Gaussian Splatting has emerged as the leading method for novel-view synthesis, triangles remain the standard primitive for traditional rendering hardware, game engines, and downstream tasks requiring explicit geometry such as simulation, collision, and editing. Recent offline methods have demonstrated that an unstructured 'triangle soup' can be optimised into a photorealistic mesh via Delaunay triangulation across a set of posed images. Building upon this insight, we present the first dense SLAM system to employ Triangle Splatting to perform both tracking and mapping through online differentiable rendering of a triangle soup. The map can be converted into a connected mesh on-the-fly via restricted Delaunay triangulation, enabling new online capabilities such as mesh deformation and collision checking. On Replica and TUM-RGBD, our system outperforms baselines on 3D geometry, matches the camera-tracking accuracy, and enables online mesh-based scene editing.

03.
medRxiv (Medicine) 2026-06-23

Isolation And Characterization Of Bacteria Associated With Urethritis In Women Within Child Bearing Age Attending Local African Health Clinics

Background: Urethritis in women of childbearing age constitutes a significant but underreported burden of reproductive morbidity in Sub-Saharan Africa, where diagnostic constraints often necessitate suboptimal syndromic management. Methods: To identify the localized etiological profile, mid-stream urine and urethral swab specimens were prospectively collected from symptomatic women attending local clinics, subjected to standard microbiological culture, and characterized using rigorous phenotypic and biochemical diagnostic protocols. Results: Microbiological analysis successfully isolated a high prevalence of both Gram-negative and Gram-positive uropathogens, predominantly Escherichia coli, Staphylococcus aureus, and Klebsiella pneumoniae, demonstrating distinct phenotypic traits characteristic of the regional microbial ecology. Conclusion: The pronounced isolation of these specific bacterial agents highlights the critical inadequacy of generalized empirical treatments and underscores the urgent need for tailored diagnostic criteria in resource-limited African healthcare settings.

04.
arXiv (CS.AI) 2026-06-11

TreeSeeker: Tree-Structured Trial, Error, and Return in Deep Search

arXiv:2606.11662v1 Announce Type: new Abstract: Deep search requires agents to answer complex questions through multi-step web search, browsing, evidence comparison, and synthesis. A central challenge is deciding how to search when several directions look plausible but only some will later lead to reliable evidence. If an agent greedily follows the current best-looking direction, it may keep extending a weak continuation. If it explores without discipline, it may waste budget on disconnected trials. We propose TreeSeeker, an inference-time framework for controlled trial-and-error in deep search. TreeSeeker organizes search as branch-and-return search over tree-structured states, where each branch is a tentative direction for a sub-goal. At each round, TreeSearch reads all sub-goal trees, identifies active goals, and uses textual UCB signals of value, uncertainty, and risk to select among exploiting a promising branch, exploring an uncertain alternative, or pruning an unproductive continuation and returning to an earlier branch point. TreeMem supports this control loop by keeping evidence, uncertainty, conflicts, progress, and failure cues attached to the branches that produced them, so trial outcomes can guide later decisions. Experiments on XBench-DeepSearch, BrowseComp, and BrowseComp-ZH show that TreeSeeker consistently outperforms strong open-source baselines, suggesting that explicit branch-and-return control complements stronger reasoning and tool execution.

05.
medRxiv (Medicine) 2026-06-23

Intellectual Property Literacy, Innovation Readiness and Innovation Practice in Syria's Pharmaceutical Sector: A Cross-Sectional Study

Background Innovation in pharmaceutical sectors operating under resource and institutional constraints may depend not only on knowledge and attitudes but also on the conditions that enable innovation-related activities to occur. This study examined the relationships among intellectual property (IP) literacy, innovation attitudes, innovation readiness, and reported innovation practice among pharmaceutical professionals in Syria. Methods A cross-sectional survey was conducted among 303 pharmaceutical professionals between March and April 2026. Four composite indices were constructed to assess IP literacy, innovation attitudes, innovation readiness, and innovation practice. Descriptive statistics, correlation analyses, group comparisons, and multivariable regression models were used to characterize patterns of association among study domains. The analysis was designed to identify empirical patterns rather than infer causal relationships. Results Innovation attitudes were comparatively high (73.56/100), whereas innovation readiness (17.00/100) and innovation practice (12.65/100) were substantially lower. IP literacy was positively associated with innovation readiness (r = 0.384, p < 0.001) and innovation practice (r = 0.205, p < 0.001). In contrast, innovation attitudes were not significantly associated with reported innovation practice (p = 0.332). Regression analyses indicated that the inclusion of innovation readiness improved model fit beyond specifications based on knowledge and attitudes alone ({Delta}R{superscript 2} = 0.058, p = 0.028). Significant differences in readiness and practice were observed across professional groups (p < 0.001), whereas knowledge and attitudes showed limited variation. Conclusions High levels of innovation-related knowledge and positive attitudes did not correspond to high levels of reported innovation practice in this setting. The findings suggest that innovation readiness may capture enabling conditions that are not reflected by knowledge or attitudinal measures alone. These results support the value of examining contextual and institutional factors when assessing innovation capacity in resource-constrained pharmaceutical systems. Given the substantial gap observed between innovation attitudes and innovation practice, educational strategies may represent one avenue for strengthening innovation readiness. In the Syrian context, strengthening innovation-oriented education and university-industry engagement may help cultivate innovation competencies and support the translation of research into practical applications.

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

Cosmos 3: Omnimodal World Models for Physical AI

We introduce Cosmos 3, a family of omnimodal world models designed to jointly process and generate language, image, video, audio, and action sequences within a unified mixture-of-transformers architecture. By supporting highly flexible input-output configurations, Cosmos 3 seamlessly unifies critical modalities for Physical AI – effectively subsuming vision-language models, video generators, world simulators, and world-action models into a single framework. Our evaluation demonstrates that Cosmos 3 establishes a new state-of-the-art across a diverse suite of understanding and generation tasks, demonstrating omnimodal world models as scalable, general-purpose backbones for embodied agents. Our post-trained Cosmos 3 models were ranked as the best open-source Text-to-Image and Image-to-Video models by Artificial Analysis, and the best policy model by RoboArena at the time the technical report was written. To accelerate open research and deployment in Physical AI, we make our code, model checkpoints, curated synthetic datasets, and evaluation benchmark available under the Linux Foundation's OpenMDW-1.1 License at https://github.com/nvidia/cosmos and https://huggingface.co/collections/nvidia/cosmos3. The project website is available at https://research.nvidia.com/labs/cosmos-lab/cosmos3.

07.
arXiv (quant-ph) 2026-06-17

Quantum statistical enhancement of collective behaviour in a bosonic active Ising model

arXiv:2606.18091v1 Announce Type: new Abstract: Collective behaviour such as flocking (the collective motion of a spontaneously formed group along a common direction) or aster formation (the binding of opposing flocks, inhibiting each others motion) are intriguing emergent phenomena in active systems with local alignment rules. Until recently, their occurrence was mainly studied for classical systems, a prime example being the active Ising model (AIM), which translates the main ingredients of flocking and aster formation (i.e., alignment and self-propulsion) to a lattice framework. Here we introduce and study a one-dimensional (1D) quantum lattice variant of the AIM, based on ideal bosons with a spin degree of freedom. We find that both the collective behaviours of the 1D classical model, flocking and aster formation, are markedly enhanced by the bosonic quantum statistics. This contrasts with a recent quantum generalization of the AIM based onto hard-core bosons [Khasseh et al., Phys. Rev. Lett. 135, 248302 (2025)], where flocking, but neither its quantum-statistical stabilization nor aster states were observed as a consequence of interactions. Moreover, we investigate the competition of this quantum statistical stabilization of collective phases with their suppression by the quantum fluctuations induced by a transverse external magnetic field.

08.
medRxiv (Medicine) 2026-06-22

The impact of changes in age-based eligibility criteria on seasonal influenza vaccine uptake in England between 2019 and 2024: A retrospective cohort study

Objectives: To examine changes in seasonal influenza vaccine uptake among clinical risk groups over periods of differing age-based eligibility. Design: Retrospective cohort study. Setting: Individuals in England registered in the Clinical Practice Research Datalink Aurum. Participants: Between 1,239,802 (2019/20) and 1,289,330 (2023/24) individuals aged 40-69 years in clinical risk groups. Interventions: Natural experiment involving temporary expansion of age-based eligibility for influenza vaccination to include 50-64-year-olds from 2020/21 to 2022/23. Main outcome measures: Influenza vaccine uptake from 1st September to 28th February, incidence rate ratio (IRR) of vaccine uptake across consecutive seasons within age groups, and the ratio of IRRs between age groups. Results: Influenza vaccine uptake increased in all age groups in 2020/21 relative to 2019/20. The increase was larger in individuals aged 50-64 years (13.3%; IRR 1.50, 95% CI 1.50-1.51) compared with those aged 40-49 years (8.3%; IRR 1.35, 95% CI 1.34-1.35) and 65-69 years (6.8%; IRR 1.34, 95% CI 1.33-1.35). From 2020/21 to 2022/23, vaccine uptake decreased, with a more pronounced decline among those aged 40-49 years (-5.4%) compared with age-eligible groups (50-64 years: -3.0%; 65-69 years: -3.1%). The reversion of age eligibility in 2023/24 was associated with a larger decrease in uptake among those aged 50-64 years (-9.6% vs 2022/23; IRR 0.79, 95% CI: 0.79-0.79) compared with those aged 40-49 years (-4.9%; IRR 0.87, 95% CI: 0.87-0.88) and 65-69 years (-3.3%; IRR 0.97, 95% CI: 0.96-0.97). Patterns were broadly consistent across clinical risk groups. Conclusions: The COVID-19 pandemic saw a general increase in seasonal influenza vaccine uptake in clinical risk groups. This increase was larger and more sustained in 50-64 year-olds who had also become eligible based on age. Our findings highlight the potential gains in vaccine coverage among clinical risk groups based on expanded age-based eligibility.

09.
arXiv (CS.LG) 2026-06-19

How to sketch a learning algorithm

作者:

arXiv:2604.07328v3 Announce Type: replace Abstract: How does the choice of training data influence an AI model? This broad question is of central importance to interpretability, privacy, and basic science. At its technical core is the data deletion problem: after a reasonable amount of precomputation, quickly predict how the model would behave in a given situation if a given subset of training data had been excluded from the learning algorithm. We present a data deletion scheme capable of predicting model outputs with vanishing error $\varepsilon$ and failure probability $\delta$ in the deep learning setting. Our precomputation and prediction algorithms are only $\tilde{O}(\log(1/\delta)/\varepsilon^2)$ factors slower than regular training and inference, respectively. The storage requirements are those of $\tilde{O}(\log(1/\delta)/\varepsilon^2)$ models. Our proof is based on an assumption that we call stability. In contrast to the assumptions made by prior work, stability appears to be fully compatible with learning powerful AI models. In support of this, we show that stability is satisfied in a minimal set of experiments with microgpt. Our code is available at https://github.com/SamSpo1/microgpt-sketch. At a technical level, our work is based on a new method for locally sketching an arithmetic circuit by computing higher-order derivatives in random complex directions. Forward-mode automatic differentiation allows cheap computation of these derivatives.

10.
arXiv (quant-ph) 2026-06-11

Integrable Massless and Massive Fermions

作者:

arXiv:2603.11172v2 Announce Type: replace-cross Abstract: One-dimensional integrable fermions can be classified into massless and massive regimes, and the $R$-operator for the latter can be constructed from that of the former. Here, I define integrable massless fermions by the simultaneous satisfaction of the Yang-Baxter equation (YBE) and Shastry's decorated YBE (DYBE) by the $R$-matrix. This notion is strictly more general than Maassarani's `free-fermion algebra', yet more restrictive than the notion of free fermions in exactly solvable quantum models or in integrable two-dimensional classical vertex models dual to quantum spin chains. Within this framework, there emerge two archetypal mechanisms for opening a spectral gap and generating massive fermions: (i) breaking time-reversal symmetry by coupling to external field, and (ii) introducing time-reversal symmetric interactions. These paradigms are realized, respectively, in the XY chain in a longitudinal field and in the Hubbard model, both of which possess non-relativistic, bivariate $R$-matrices. Integrability conditions on local Hamiltonians for both massless and massive fermions are identified, and schematic procedures for uniquely determining their $R$-matrices are proposed.

11.
arXiv (CS.AI) 2026-06-12

The AI Legal Specialist: A Juridically Autonomous Professional Profile for AI Governance

arXiv:2606.12415v1 Announce Type: cross Abstract: The rapid global expansion of artificial intelligence regulation has generated, across multiple jurisdictions, a demand for legal expertise dedicated to AI that the market has addressed in a fragmented manner. Data protection officers extend their remit beyond data protection law; privacy lawyers reposition themselves toward AI; compliance officers add AI chapters to their existing manuals. This paper argues that none of these adaptive responses adequately covers the professional space opened by the emerging global AI regulatory landscape, of which the EU Artificial Intelligence Act (Regulation (EU) 2024/1689) is the most comprehensive instance, alongside the Council of Europe Framework Convention on AI, the United States executive and sectoral framework, and analogous initiatives in the United Kingdom, Canada, Brazil, China, Japan, Singapore, and beyond. A distinct professional profile is required: the AI Legal Specialist, conceived as a jurist – understood broadly to encompass any professional with advanced legal training – operating at the intersection of legal interpretation and AI governance. The profile is juridically autonomous: it derives its existence from the structure of regulatory obligations generated wherever AI is subject to substantive regulation, rather than from any technical standard or the extension of adjacent roles. The paper provides a juridically grounded definition of the profile, argues for its autonomy from adjacent figures and international standards, proposes a reference competence architecture aligned with the European e-Competence Framework (e-CF, EN 16234-1) as a methodological choice, and articulates the conditions for its operational measurement through key performance indicators. The contribution is intended as a foundation for international standardization of the profile and as a reference for practice, curricula, and adoption across jurisdictions.

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

What Do Safety-Aligned LLMs Learn From Mixed Compliance Demonstrations?

arXiv:2606.20508v1 Announce Type: new Abstract: Prior work has shown that in-context demonstrations can jailbreak language models, but it remains unclear how models interpret different types of compliance demonstrations. We study this by mixing benign compliance demonstrations (non-harmful request, helpful response) with harmful compliance demonstrations (harmful request, helpful response) and testing three hypotheses about how demonstration composition drives harmful compliance. Across four models, we find that benign and harmful demonstrations are not interchangeable: benign demonstrations can either reduce or increase harmful compliance depending on the model. We further show that preference optimization is the critical training stage that prevents benign demonstrations from increasing harmful compliance, that demonstration ordering exhibits strong recency bias, and that models differ in how refusal interacts with in-context learning: some adopt demonstrated formatting even when refusing, while others override all in-context signals upon refusal. Taken together, this work moves beyond showing that demonstration-based jailbreaking works to characterizing how it works: what models extract from compliance demonstrations depends on demonstration content, ordering, and training methodology.

13.
arXiv (CS.AI) 2026-06-16

Communication-Efficient Verifiable Attention for LLM Inference

arXiv:2606.16352v1 Announce Type: cross Abstract: Computation integrity of remote large language model (LLM) serving can be questionable. For conventional deep neural networks (DNNs), the existing TEE-shielded DNN partitioning (TSDP) approach uses Trusted Execution Environment (TEE) to compute non-linear components and verify the integrity of linear components offloaded to an untrusted GPU. However, directly applying TSDP to Transformer-based LLMs incurs significant TEE computation and TEE-GPU communication overhead. This paper presents Communication-efficient TEE-GPU Attention (\textsc{VeriAttn}) for accelerating verifiable LLM inference. \textsc{VeriAttn} offloads both linear and non-linear computations of attention to the GPU, while TEE performs verification. Moreover, for prefill, \textsc{VeriAttn} uses a two-level pipeline to overlap data movement, TEE pre-/post-processing, and GPU computation. For decoding, when the key-value cache exceeds available GPU memory, \textsc{VeriAttn} partitions attention across TEE and GPU to reduce repeated key-value transfers. Evaluation on an Intel TDX platform shows that \textsc{VeriAttn} achieves 2.60-3.38$\times$ and 3.86-5.42$\times$ acceleration over TSDP for 6k-token prompts and 10k-token outputs during prefill and decoding, respectively.

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

EquiDexFlow: Contact-Grounded SE(3)-Equivariant Dexterous Grasp Generative Flows

Most learned dexterous grasp generators relegate contact forces to a downstream verification step, so a kinematically-plausible pose can still violate the conditions for a stable physical grasp. We address this with EquiDexFlow, an SE(3)-equivariant flow-matching model that jointly predicts wrist pose, joint angles, fingertip contacts, surface normals, and contact forces from an object point cloud. Our architecture projects contacts onto the object surface and forces into the Coulomb friction cone by construction, so placement and friction compliance hold without loss penalties. We prove end-to-end SE(3) equivariance and verify it empirically over 200 rotations, with wrist residuals below $0.04^\circ$ and exactly zero joint deviation. Trained on 8,100 force-closure grasps across 81 objects for the 16-DoF Allegro Hand, our model achieves zero friction violations, the best composite score, and the lowest wrench residual among all ablation variants. We retarget decoded fingertip contacts to a 16-DoF LEAP Hand via per-finger inverse kinematics, and our hardware-feasible refinement places every joint at least 5% inside its actuator envelope while preserving wrench balance. On the physical robot, retargeted EquiDexFlow-decoded grasps complete open-loop pick-and-hold trials on all six test objects, with every asymmetric object succeeding at both the canonical pose and a $120^\circ$ co-rotation. Videos, code, and checkpoints are available at https://equidexflow.github.io.

15.
arXiv (CS.CV) 2026-06-18

Data-Forcing Distillation: Restoring Diversity and Fidelity in Few-Step Video Generation

Recent progress has shown promise in distilling multi-step video diffusion models into efficient few-step students. Among them, Distribution Matching Distillation (DMD) and its successor DMD2 achieved strong generation quality and fast convergence. However, due to the nature of the reverse Kullback–Leibler (KL) objective, these methods exhibit two persistent failure modes: a substantial drop in sample diversity, and visibly over-saturated outputs that deviate from real-video appearance. In this work, we propose Data-Forcing Distillation (DFD), a simple post-training framework that restores diversity and fidelity in DMD with only a single-line of code change. At its core is the teacher score discrepancy to guide the student toward the real-data distribution, pulling it to missing modes (mitigating mode collapse) and away from problematic modes absent in real data (avoiding over-saturation). We provide an in-depth theoretical analysis of our framework and validate our approach on text-to-video, image-to-video, and autoregressive video generation. With only 100–300 steps of finetuning, DFD effectively restores diversity and fidelity on both Wan2.1-1.3B and Cosmos-Predict2.5-2B model, resolving the over-saturation artifacts with significantly better video dynamics and appearance, and even outperforms the teacher model.

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

EA-WM: Event-Aware World Models with Task-Specification Grounding for Long-Horizon Manipulation

arXiv:2606.13053v1 Announce Type: cross Abstract: Pretrained-feature world models provide a useful substrate for robot imagination, but visual or latent prediction alone does not determine whether an imagined future satisfies task-relevant events. Long-horizon manipulation requires progress signals that are relational, predicate-level, and physically grounded: whether an object has moved, whether a drawer or contact state has changed, whether a placement predicate is satisfied, and whether a candidate future is reliable enough for execution. We introduce EA-WM, an event-aware world-model framework that augments frozen visual-feature dynamics with task-specification-grounded event prediction and verification. EA-WM rolls out candidate futures in pretrained visual-feature space, decodes them into structured event states, and scores them using task-progress, semantic-consistency, physical-feasibility, and uncertainty terms. The verifier guides sampling-based planning, gates candidate actions, and, in the contact-sensitive LIBERO wine-rack setting, selects among PPOgenerated proposals. Across navigation, deformable-object, wall-constrained, and languagedescribed manipulation studies, EA-WM shows that event-aware verification can make featurespace world models more interpretable and better aligned with task progress.

17.
arXiv (CS.AI) 2026-06-19

LoRDO: Distributed Low-Rank Optimization with Infrequent Communication

arXiv:2602.04396v2 Announce Type: replace-cross Abstract: Distributed training of foundation models via $\texttt{DDP}$ is limited by interconnect bandwidth. While infrequent communication strategies reduce synchronization frequency, they remain bottlenecked by the memory and communication requirements of optimizer states. Low-rank optimizers can alleviate these constraints; however, in the local-update regime, workers lack access to the full-batch gradients required to compute low-rank projections, which degrades performance. We propose $\texttt{LoRDO}$, a principled framework unifying low-rank optimization with infrequent synchronization. We first demonstrate that, while global projections based on pseudo-gradients are theoretically superior, they permanently restrict the optimization trajectory to a low-rank subspace. To restore subspace exploration, we introduce a full-rank quasi-hyperbolic update. $\texttt{LoRDO}$ achieves near-parity with low-rank $\texttt{DDP}$ in language modeling and downstream tasks at model scales of $125$M–$720$M, while reducing communication by $\approx 10 \times$. Finally, we show that $\texttt{LoRDO}$ improves performance even more in very low-memory settings with small rank/batch size.

18.
arXiv (CS.LG) 2026-06-15

PepALD: Macrocyclic Peptide Generation via Autoregressive Latent Diffusion

arXiv:2606.14510v1 Announce Type: new Abstract: Macrocyclic peptides are promising therapeutic candidates for intracellular targets, but their design requires simultaneous control over non-natural monomer chemistry, ring topology, membrane permeability, and target binding. Existing SMILES- or HELM-string generative models either operate in long atom-level sequence spaces or treat monomers as symbolic tokens with limited chemical grounding. We introduce PepALD, an Autoregressive Latent Diffusion (ALD) foundation model for de novo macrocyclic peptide generation. The model represents HELM monomers with structured chemical embeddings, generates each residue through context-conditioned diffusion in chemically informed latent space, predicts R-group-aware ring closures during autoregressive generation, and aligns the denoiser to affinity rewards using winner-protected diffusion-adapted preference optimization. In silico experiments demonstrate PepALD's generation quality and reward-optimization performance against representative peptide generation baselines.

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

TMR-GGNN: Credit Card Fraud Detection based on Time-Aware Multi-Relational Guided Graph Neural Network

arXiv:2606.18444v1 Announce Type: cross Abstract: In recent years, credit card fraud detection has faced significant challenges due to highly imbalanced data, evolving fraud patterns, and complex relational structures among transaction entities. To address these issues, this research proposes a novel framework called Timeaware Multi Relational Guided Graph Neural Network (TMR GGNN). Particularly, the proposed TMR GGNN extends the encoder decoder Graph Neural Network GNN architecture by modeling heterogeneous interactions across customers, merchants, devices, and IPs over temporal windows. Subsequently, the proposed TMR GGNN approach constructs a dynamic, multi relational graph and incorporates a time aware relational attention mechanism within the encoder to adaptively weigh the transaction relevance based on temporal proximity and semantic context. Consequently, the decoder employs a contrastive learning module to distinguish between real and synthesized transaction patterns, while improving the models generalization of rare fraud cases. Additionally, to effectively manage severe class imbalances and emphasize discriminative learning, a composite loss function combining Information Noise Contrastive Estimation (InfoNCE) based contrastive loss with Focal Loss is introduced. This integration assists in improving fraud identification while mitigating false negatives.

20.
bioRxiv (Bioinfo) 2026-06-17

DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design

Motivation: Proteolysis-targeting chimeras (PROTACs) enable targeted protein degradation through ternary complex formation with E3 ubiquitin ligase. However, the rational design of PROTACs remains highly challenging due to limited structure-activity relationship data and the vast conformational diversity of linkers. Existing computational approaches can be broadly divided into structure-based ternary modelling methods and fragment-based linker generation models. Although these approaches have advanced PROTAC design, they typically neglect key physicochemical constraints and linker-length control during the generation process, causing the generated PROTACs to lack balanced structural properties required for effective ternary complex formation with drug-like characteristics. Results: To address these limitations, we propose DesignMaster, a diffusion-based generative framework that explicitly incorporates linker length and physicochemical properties as controllable conditioning signals. DesignMaster employs an E(3)-equivariant graph Transformer with a gated multi-condition fusion module to inject linker length and physicochemical constraints throughout the diffusion process, enabling fine-grained and constraint-aware molecular generation. Experiments on PROTAC-DB 2.0 and 3.0 demonstrate that DesignMaster outperforms state-of-the-art baselines, with a 3.2% improvement in validity and a 34.4% improvement in recovery. The Case study shows DesignMaster achieves a 51.78% reduction in RMSD when predicting the linker of PROTAC BCPyr targeting 6W7O, highlighting its potential for practical structure-guided PROTAC design. Availability: The source code and datasets are available at https://github.com/ABILiLab/DesignMaster.

21.
arXiv (CS.CV) 2026-06-16

Variational Deep Unfolding with Mamba-Based Nonlocal Modeling for Underwater Image Enhancement

Underwater imaging plays a crucial role in ocean engineering, although captured data often suffer from poor visibility and color distortion. To address these challenges, we propose a model-based deep unfolding network for underwater image enhancement that integrates variational modeling into a learnable architecture. The framework is guided by a variational formulation based on a dehazing decomposition, incorporating a multiplicative residual component to absorb remaining artifacts and a nonlocal gradient-type constraint to preserve structural details and enhance edge sharpness. We provide a theoretical analysis establishing the existence of solution for the associated minimization problem. The proposed unfolding method incorporates Mamba layers to efficiently capture self-similarities in the scene. In addition, we introduce a proximal trajectory loss that enforces consistency between the unfolding stages and the iterations of an ideal restoration regularizer. Experimental results demonstrate that the proposed unfolding approach achieves improved visual quality and competitive quantitative performance compared with recent state-of-the-art methods. The source code will be available at https://github.com/MIA-UIB/Variational-Unfolding-Mamba-Underwater-Enhancement .

22.
arXiv (CS.LG) 2026-06-11

Reliable Error Estimation for PINNs: Lower and Upper A Posteriori Bounds

arXiv:2606.12050v1 Announce Type: new Abstract: Physics-informed neural networks (PINNs) combine machine learning with physical laws to solve differential equations. While existing results provide rigorous a posteriori upper bounds for PINN prediction errors, complete certification also requires complementary lower information in order to obtain computable two-sided error enclosures. In this paper, we derive computable a posteriori lower bounds for PINN errors in ordinary differential equations on suitable certified state-space domains under a localized strong monotonicity condition. We combine these estimates with complementary localized upper bounds under a one-sided Lipschitz condition, which is weaker than the global Lipschitz assumption used in previous work and can yield sharper upper error bands. The resulting bounds depend only on the neural-network approximation, the ODE residual, and local monotonicity and growth constants, and therefore do not require access to the exact solution. For linear time-invariant and time-varying systems, we further derive explicit formulas in terms of the minimal and maximal eigenvalues of the symmetric part of the system matrix. We also discuss the distinction between soft and hard enforcement of initial conditions in PINNs and explain why exact enforcement can make the scalar lower certificate uninformative. To recover nontrivial lower information in the linear setting, we use a signed-residual finite-probe certificate based on coordinate unit vectors. We also formulate a certificate-informed training strategy in which the propagated upper certificate is used as an auxiliary regularizer, while lower certificates remain post-training diagnostics. Altogether, the proposed framework provides rigorous and practically computable error certificates for PINN approximations of ODEs, while making explicit the domains and model classes for which the assumptions can be verified.

23.
arXiv (CS.LG) 2026-06-16

Causal-Privacy Audit Workflow for Synthetic and Distilled Data in Dropout Support

arXiv:2606.15940v1 Announce Type: new Abstract: Synthetic and distilled student data are increasingly used to enable privacy-conscious learning analytics, yet their suitability for decision-facing institutional support remains uncertain. In dropout support, generated data must preserve not only predictive utility or distributional resemblance, but also the financial-status evidence used to guide advising, payment-plan assistance, and scholarship-related decisions. Method: This study introduces CaP-Eval, a decision-facing causal-privacy audit workflow for evaluating generated student data under a fixed estimand, timing-aware adjustment design, estimator set, and empirical privacy-governance screen. The workflow compares original, distilled, adversarial synthetic, statistical synthetic, and DPGNet privacy-oriented generated data on predictive utility, treatment-effect fidelity, robustness to alternative estimators, and local training-record proximity. Results: DPGNet and distilled data preserved the original financial-status treatment-effect structure more reliably than the adversarial and Gaussian Copula baselines. DPGNet preserved full direction and rank agreement across epsilon levels; epsilon = 10 produced the smallest non-original IPW and DML deviations, while epsilon = 1 and epsilon = 5 amplified several financial-status contrasts. Distilled data remained highly faithful but retained the strongest local training-record proximity signal. TabularGNet preserved qualitative directions with moderate attenuation, and Gaussian Copula compressed effect magnitudes. Conclusions: Predictive utility, privacy orientation, empirical disclosure signals, and causal fidelity diverged; generated student data require joint audits of direction, magnitude, overlap, and release-governance risk before decision use.

24.
Nature (Science) 2026-06-10

A first-in-class pulsatile FXR agonist for bile-acid-related liver diseases

作者:

Nuclear receptors are central regulators of metabolism1, yet therapeutic strategies that enforce continuous receptor activation frequently lead to reduced efficacy and unacceptable toxicity. Here we report a first-principles drug design strategy that aligns pharmacokinetics with physiological signalling cycles. We developed linafexor, a potent non-bile-acid agonist of the farnesoid X receptor (FXR)2; it is engineered for rapid systemic clearance, which enables pulsatile receptor activation that mirrors endogenous bile acid dynamics3–5. Linafexor has robust efficacy across multiple preclinical models of metabolic dysfunction-associated steatohepatitis6, liver fibrosis7, primary biliary cholangitis and primary sclerosing cholangitis8,9. Transcriptomic analyses reveal that, unlike long-acting FXR agonists10,11, linafexor preserves cyclic FXR signalling, avoids receptor downregulation and prevents broad transcriptional dysregulation. Direct manipulation of delivery patterns demonstrates that sustained FXR activation—independent of compound identity—induces severe toxicity, establishing activation duration as a determinant of therapeutic index. In phase 1 clinical studies (ClinicalTrials.gov; NCT05082779), linafexor administered once daily produces transient FXR pathway engagement, marked by (1) induction of FGF1912–14, a key endocrine mediator of bile acid feedback regulation; and (2) suppression of C415, an intermediate reflecting hepatic bile acid synthesis, with no treatment-related adverse events. Together, these findings identify pulsatile FXR activation as a mechanistically grounded and clinically translatable strategy, and establish linafexor as a first-in-class therapeutic for bile acid–related liver diseases. Linafexor is a rapidly cleared FXR agonist designed to mimic natural bile acid signalling, achieving transient receptor activation with strong efficacy and reduced toxicity in preclinical and early clinical studies.

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

Strategic Decision Support for AI Agents

arXiv:2606.12587v1 Announce Type: new Abstract: Traditionally, decision support studies how humans use machine learning models to make better decisions. In modern agentic systems, this division of roles is increasingly reversed: AI agents act on behalf of users, while humans and tools becomes support mechanisms around them. This role reversal brings reliability concerns to the forefront, since agentic errors can be consequential and agent behavior must remain aligned with human goals and constraints. Departing from the classical view of decision support, we revisit its two basic principles, the cost–value tradeoff of seeking support and the role of uncertainty quantification, in a setting where AI agents are the central actors. We propose a framework for strategic decision support for AI agents through an optimization problem that minimizes support usage subject to controlling a counterfactual missed-support error: the probability that the agent acts alone on instances where support would have materially improved its output. At the population level, we show that the optimal policy is a threshold rule on the value of support. Building on this structure, we develop an online algorithm that adaptively thresholds such a score and uses randomized exploration to control missed-support error without distributional assumptions. We further introduce a calibration-on-the-fly method that reduces unnecessary support calls online. We instantiate this framework across diverse scenarios, including information gathering, human–AI collaboration, and tool use, showing how each can be modeled through the same strategic decision-support lens. Experiments across these settings show that our method reliably controls the target error while substantially reducing support usage in practice.