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01.
arXiv (quant-ph) 2026-06-19

Scalable quantum circuit knitting using a weak-coupling approximation

arXiv:2606.19035v2 Announce Type: replace Abstract: We present a method for performing distributed quantum computing with controlled approximations. Exact distributed quantum computing requires exponential classical information to reconstruct the quantum process. However, we show how the classical cost is reduced to polynomial if the quantum procedure can be partitioned between a qubit that is weakly coupled the other qubits. We demonstrate our method for a layered circuit based on the circuits used for the quantum approximate optimization algorithm.

02.
arXiv (quant-ph) 2026-06-16

Black Hole–Entropy Container or Creator

arXiv:2603.18374v3 Announce Type: replace-cross Abstract: Do black holes possess entropy or do they create it? The dominant assumption is that they possess entropy, and a they evaporate that entropy is emitted and decreases. In this paper I use a model of a linear amplifier, in which I argue that the amplifier has not entropy and yet it emits entropy in the process of it operation. This model is closely related to behaviour of black holes, resulting in answer the question of that title that black holes do not have entropy, but nevertheless them create and emit entropy with the total entropy emitted being the same as the usual expression proportional to the square of the mass of the black hole.

03.
arXiv (CS.CV) 2026-06-18

VGGHeads: 3D Multi Head Alignment with a Large-Scale Synthetic Dataset

Human head detection, keypoint estimation, and 3D head model fitting are essential tasks with many applications. However, traditional real-world datasets often suffer from bias, privacy, and ethical concerns, and they have been recorded in laboratory environments, which makes it difficult for trained models to generalize. Here, we introduce \method – a large-scale synthetic dataset generated with diffusion models for human head detection and 3D mesh estimation. Our dataset comprises over 1 million high-resolution images, each annotated with detailed 3D head meshes, facial landmarks, and bounding boxes. Using this dataset, we introduce a new model architecture capable of simultaneous head detection and head mesh reconstruction from a single image in a single step. Through extensive experimental evaluations, we demonstrate that models trained on our synthetic data achieve strong performance on real images. Furthermore, the versatility of our dataset makes it applicable across a broad spectrum of tasks, offering a general and comprehensive representation of human heads.

04.
arXiv (quant-ph) 2026-06-17

Quantum Routers: A Switching-Fabric Framework for Quantum-Native Forwarding

arXiv:2606.17773v1 Announce Type: new Abstract: Forwarding in quantum networks cannot be realized by directly transposing classical switching fabrics, since the no-cloning theorem and the quantum measurement postulate constrain the direct relay of quantum information while ruling out copy-based buffering and inspection. In this paper, we propose a switching-fabric framework for quantum routers based on multipartite entanglement. Specifically, we formalize the notion of an entanglement-based switching fabric, in which a graph state acts as the forwarding resource and entanglement forwarding is realized through local Pauli measurements. We translate the classical notions of blocking and non-blocking operation into structural conditions for entanglement-based fabrics, by deriving the edge-controlled (EC) design principle for non-blocking operation. We instantiate this principle through a monolithic EC crossbar and a modular Clos-type EC fabric, for which we characterize resource scaling and identify the regime where the modular design becomes more resource-efficient than the monolithic one. Finally, a forwarding-latency analysis establishes a fundamental distinction between matching-oblivious and matching-driven forwarding: the proposed EC fabrics realize all requested input-output entanglement links with constant forwarding depth under sufficient measurement parallelism, whereas matching-driven EPR-based fabrics exhibit latency that scales with the number of requested connections. The proposed framework provides a hardware-agnostic foundation for quantum-router switching fabrics.

05.
arXiv (quant-ph) 2026-06-12

QuBE/Qubex: an integrated hardware-software system for superconducting qubit experiments with broadband control

arXiv:2606.13010v1 Announce Type: new Abstract: Achieving high-fidelity operation in large-scale superconducting qubit systems requires not only control hardware with broad frequency coverage, low crosstalk, and tight synchronization but also software that coordinates system configuration, experiment execution, and data analysis. Here we present an integrated qubit-control system that combines broadband microwave hardware with a pulse-level software stack for scalable superconducting qubit experiments. The hardware provides broadband microwave coverage, including an instantaneous span of up to 1.6 GHz from a control output, while the software reduces setup and calibration overhead through automated configuration and built-in experiment workflows. We validate the system on a 64-qubit fixed-frequency transmon chip through full-chip frequency identification and representative demonstrations, including multi-unit far-detuned cross-resonance calibration and benchmarking that yields a measured two-qubit gate fidelity of 98.34%, and multilevel readout beyond the computational subspace. By disclosing the hardware architecture and releasing the software stack as open source, this work provides an inspectable hardware-software foundation for scalable superconducting qubit control experiments.

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

Collaborative Multi-Modal Coding for High-Quality 3D Generation

3D content inherently encompasses multi-modal characteristics and can be projected into different modalities (e.g., RGB images, RGBD, and point clouds). Each modality exhibits distinct advantages in 3D asset modeling: RGB images contain vivid 3D textures, whereas point clouds define fine-grained 3D geometries. However, most existing 3D-native generative architectures either operate predominantly within single-modality paradigms-thus overlooking the complementary benefits of multi-modality data-or restrict themselves to 3D structures, thereby limiting the scope of available training datasets. To holistically harness multi-modalities for 3D modeling, we present TriMM, the first feed-forward 3D-native generative model that learns from basic multi-modalities (e.g., RGB, RGBD, and point cloud). Specifically, 1) TriMM first introduces collaborative multi-modal coding, which integrates modality-specific features while preserving their unique representational strengths. 2) Furthermore, auxiliary 2D and 3D supervision are introduced to raise the robustness and performance of multi-modal coding. 3) Based on the embedded multi-modal code, TriMM employs a triplane latent diffusion model to generate 3D assets of superior quality, enhancing both the texture and the geometric detail. Extensive experiments on multiple well-known datasets demonstrate that TriMM, by effectively leveraging multi-modality, achieves competitive performance with models trained on large-scale datasets, despite utilizing a small amount of training data. Furthermore, we conduct additional experiments on recent RGB-D datasets, verifying the feasibility of incorporating other multi-modal datasets into 3D generation.

07.
arXiv (CS.AI) 2026-06-12

CAPED: Context-Aware Privacy Exposure Defense for Mobile GUI Agents

arXiv:2606.12666v1 Announce Type: cross Abstract: Screenshot-based mobile GUI agents can operate ordinary smartphone apps through the same visual interface as a human user, but this capability also turns every screen observation into a privacy boundary. During normal task execution, screenshots may expose contacts, messages, photos, files, recommendations, health cues, and other sensitive context that is unrelated to the user's request. We call this problem incidental visual privacy exposure. It is difficult to address with existing defenses: text anonymization misses many visual and inferential cues, while generic privacy masking can remove the evidence and controls that a GUI agent needs to complete the task. This paper presents CAPED, a context-aware pre-upload exposure control layer for mobile GUI agents. CAPED is designed as a phone-side protection layer: before screenshots are released to a remote multimodal agent, it extracts task requirements, uses screen context as a privacy prior, parses visible UI elements, and selectively exposes only content needed for the current task while masking incidental private content. We evaluate CAPED on AndroidWorld for broad task utility and with a controlled 28-task seeded privacy evaluation used as a measurement instrument for trajectory-level incidental leakage. In this seeded evaluation, Full CAPED reduces success-conditioned weighted seeded leakage from 0.766 under raw screenshots to 0.268 while preserving high task utility. A broader AndroidWorld run shows a remaining prototype-level utility cost, but the results support the central claim that screenshot upload should be treated as an explicit device–cloud boundary decision, governed by task-driven selective exposure rather than all-or-nothing screen sharing.

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

Multi-Field Hybrid Retrieval-Augmented Generation for Maritime Accident Root Cause Analysis

arXiv:2606.13249v1 Announce Type: new Abstract: Maritime accident adjudication reports contain critical tribunal findings for root cause analysis (RCA), yet retrieving relevant precedents and drafting consistent reports from decades of records remains labor-intensive. This paper proposes a multi-field hybrid retrieval-augmented generation (RAG) framework for automated maritime RCA, utilizing a comprehensive dataset of 13,329 Korea Maritime Safety Tribunal (KMST) reports (1971-2025). We transform raw adjudications into a structured knowledge base of "incident cards", indexing three distinct fields-Summary, Causes, and Disposition-alongside a hierarchical L1/L2 cause taxonomy. Our retrieval strategy employs a field-aware hybrid approach, fusing sparse and dense rankings via Reciprocal Rank Fusion (RRF). Given the lack of large-scale expert relevance labels, we evaluate retrieval performance using ceiling-normalized recall and nDCG based on a metadata-derived proxy relevance score. Experimental results demonstrate that our proposed retrieval significantly outperforms baseline methods, improving NormRecall@100 from 0.18 to 0.55. Furthermore, grounding the generator on the retrieved precedents enhances RCA generation quality over an LLM-only baseline, increasing the LLM-as-a-judge score from 3.34 to 3.72. These findings suggest that field-aware RAG can substantially streamline maritime safety investigation workflows by enabling faster precedent search and more consistent, evidence-based RCA drafting.

09.
arXiv (CS.CL) 2026-06-16

daVinci-kernel: Co-Evolving Skill Selection, Summarization, and Utilization via RL for GPU Kernel Optimization

GPU kernel optimization represents a paradigm where functional correctness is assumed and execution efficiency is the objective. We present daVinci-kernel, a reinforcement learning framework that couples skill discovery with skill exploitation through a dynamically evolving skill library. daVinci-kernel jointly trains three agents sharing one LLM backbone: a Skill Selection Agent that retrieves relevant techniques via BM25 and LLM reranking, a Policy Agent that generates multi-turn CUDA/Triton kernels conditioned on selected skills, and a Skill Summary Agent that distills successful rollouts into reusable skills. Candidate skills are added only after execution-based verification confirms reproducible speedups. All three agents share a single LLM backbone, are initialized via a structured SFT cold start on diversity-filtered data, and are then jointly optimized end-to-end with multi-turn REINFORCE and per-agent advantage estimation. On KernelBench, daVinci-kernel-14B achieves 37.2%, 70.6%, and 32.2% on Level 1, Level 2, and Level 3 under the Fast$_1$ threshold, outperforming the strongest prior RL-trained model, Dr.Kernel-14B.

10.
arXiv (CS.AI) 2026-06-12

WOMBET: World Model-Based Experience Transfer for Robust and Sample-efficient Reinforcement Learning

arXiv:2604.08958v3 Announce Type: replace-cross Abstract: Reinforcement learning (RL) in robotics is often limited by the cost and risk of data collection, motivating experience transfer from a source task to a target task. Offline-to-online RL leverages prior data but typically assumes a given fixed dataset and does not address how to generate reliable data for transfer. We propose World Model-Based Experience Transfer (WOMBET), a framework that jointly generates and utilizes prior data. WOMBET learns a world model in the source task and generates offline data via uncertainty-penalized planning, followed by filtering trajectories with high return and low epistemic uncertainty. It then performs online fine-tuning in the target task using adaptive sampling between offline and online data, enabling a stable transition from prior-driven initialization to task-specific adaptation. We show that the uncertainty-penalized objective provides a lower bound on the true return and derive a finite-sample error decomposition capturing distribution mismatch and approximation error. Empirically, WOMBET improves sample efficiency and final performance over strong baselines on continuous control benchmarks, demonstrating the benefit of jointly optimizing data generation and transfer.

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

Detect Before You Leap: Mirage Detection in Vision-Language Models

Vision-language models (VLMs) can produce confident visual answers even when the required visual evidence is missing, blank, or unrelated to the question. This failure mode, recently described as mirage (mirage2026), is especially concerning in medical and document VQA, where a plausible but visually ungrounded answer may be mistaken for image-based evidence. We study the complementary problem of pre-release mirage detection: given an image-question pair, determine whether the VLM should answer or abstain before generation. To that end, we propose a novel model-agnostic Text-Conditioned Layer-wise Internal Alignment (TC-LIA) method that probes patch-token representations across the layers of a CLIP ViT-H/14 vision encoder. The key idea is to project layer-wise image patch tokens into the final CLIP embedding space and measure their similarity with the question embedding, thereby tracking whether question-relevant visual evidence emerges across vision layers. TC-LIA summarizes this alignment trajectory using final image-text cosine similarity, late-layer top-k patch-text alignment, early-to-late gain, and layer-wise slope. These features are combined with pixel-statistic based blank/noise detection, zero-shot domain routing, and structured VLM self-assessment in an ensemble. Across five VQA domains with related, unrelated-real, and blank/noise inputs, and across twelve VLM backbones, Qwen2.5-VL-32B achieves the highest three-class detection accuracy of 94.7% with a 3.0% mirage rate, while Qwen2.5-VL-72B achieves 94.6% accuracy with a lower 2.8% mirage rate. Baseline mirage rates span 21.7-66.6%.

12.
medRxiv (Medicine) 2026-06-22

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

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

13.
arXiv (CS.AI) 2026-06-18

WorldLines: Benchmarking and Modeling Long-Horizon Stateful Embodied Agents

arXiv:2606.18847v1 Announce Type: new Abstract: To assist humans over extended periods in real homes, embodied agents must remember user routines, world states, and past interactions. Existing long-term memory benchmarks mainly evaluate language-centric retrieval and question answering, while embodied benchmarks often focus on short-horizon task execution without testing long-term memory use in dynamic environments. We introduce WorldLines, a project-driven benchmark for long-horizon embodied household assistance. It constructs temporally extended household traces with dialogues, actions, execution feedback, object and device state changes, and converts them into evidence-linked samples for Memory QA and Embodied Task Planning. We further propose ObsMem, an observer-grounded memory framework that maintains visibility-aware memories and action-native state trails for state-aware decisions. Experiments reveal persistent challenges in partial observability, overwritten world states, and translating long-term memory into embodied plans, while ObsMem offers a stronger reference architecture for this setting.

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

Sharp analysis of linear ensemble sampling

arXiv:2602.08026v2 Announce Type: replace Abstract: We analyse linear ensemble sampling (ES) with standard Gaussian perturbations in stochastic linear bandits. We show that for ensemble size $m=\Theta(d\log n)$, ES attains $\tilde O(d^{3/2}\sqrt n)$ high-probability regret, closing the gap to the Thompson sampling benchmark while keeping computation comparable. The proof brings a new perspective on randomized exploration in linear bandits by reducing the analysis to a time-uniform exceedance problem for $m$ independent Brownian motions. This continuous-time lens appears particularly natural here: it yields an exact representation of the relevant discrete-time processes, and we do not know another route to a sharp ES bound.

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

DuET: Dual Expert Trajectories for Diffusion Image Editing

Recent diffusion editors perform diverse instruction-based edits while conditioning on the source image at every denoising step. Yet persistent source-image conditioning can limit how fully an edit is executed and how natural the result appears, especially when the target scene diverges substantially from the input. We introduce DuET (Dual Expert Trajectories), a training-free inference method that temporarily relaxes source-image conditioning by transitioning through a text-to-image phase before returning to edit mode, allowing the denoising trajectory to move toward the target distribution while retaining the structural benefits of image-conditioned editing. Without modifying model weights or increasing sampling cost, DuET consistently improves instruction relevance, semantic fidelity, and perceptual quality across diverse models and benchmarks. In some cases, these gains come with a modest reduction in source-image preservation, revealing a predictable trade-off between source preservation and edit fidelity.

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

GarmentSketch: Large-scale Sketch-to-Fashion Benchmark

Fashion sketching is a cornerstone of design workflows, allowing rapid visualization of creative concepts prior to physical prototyping. Yet, progress in sketch-based fashion image synthesis has been hindered by the absence of large-scale, high-quality paired resources. To bridge this gap, we present GarmentSketch, a novel dataset comprising 26,249 fashion sketches across 21 garment categories, each paired with detailed textual descriptions. Captions were produced through a multi-stage pipeline that integrates multiple multimodal large language models (MLLMs) with human-in-the-loop refinement, ensuring both semantic accuracy and descriptive richness. We benchmark GarmentSketch on state-of-the-art generative models, providing baseline performance for sketch-guided text-to-image generation. Our experiments reveal both the promise and the current limitations of existing methods. By offering a comprehensive and richly annotated resource, GarmentSketch establishes a foundation for advancing sketch understanding, fine-grained fashion image generation, and creative human-AI collaboration in design. The dataset will be available at: https://khangbdd.github.io/garmentsketch.

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

APT: Atomic Physical Transitions for Causal Video-Language Understanding

Physical events are not understood by their names alone, but by the causal state changes that compose them. A clip-level label such as "bounce" can be correct while hiding the process that makes the event physically valid, from support loss and contact onset to rebound and settling. To make this hidden process explicit, we introduce Atomic Physical Transitions (APTs): minimal, temporally localized state changes that bind a visible cue to an active physical mechanism and before/after dynamical regimes. An APT chain represents a video as an ordered causal transition sequence rather than a single aggregate event label: event labels tell what happened; APT chains explain why it happened. To make APTs learnable by VLMs, we construct mixed-source APT data from human annotations and simulator ground truth, covering 14 transition types across contact, gravity, friction, and rotation/stability, with 27,303 timed instances over 1,246 trials. Using this data, we find that current VLMs miss transition-level physics, with zero-shot recall at most 14% and errors dominated by missed transitions. Direct fine-tuning on APT chains improves transition detection but causes event-level forgetting, indicating that the model learns a specialized answer format rather than a reusable physical representation. We therefore propose APT-Tune, a parameter-efficient recipe that teaches VLMs to use causal transitions without forgetting how to answer video questions. It combines image-pad-aware supervision, format-conditional co-training, and mechanism-conditioned domain-to-type decoding to make APT learning format-robust and physically grounded. With only 11 M LoRA parameters on Qwen3-VL-2B, APT-Tune substantially improves APT recall while also improving event-level video transfer. These results show that APTs are not a new answer format, but a human-aligned causal supervision signal for physical video understanding.

18.
arXiv (CS.LG) 2026-06-12

GEMSS: A Variational Bayesian Method for Discovering Multiple Sparse Solutions in Classification and Regression Problems

arXiv:2602.08913v2 Announce Type: replace Abstract: High-dimensional, underdetermined and highly correlated systems are common in data science practice, especially when analyzing physical measurements. In such settings, feature selection poses a fundamental challenge because multiple distinct sparse subsets may explain the response equally well. Their identification is crucial not only for predictive modeling but also for generating domain-specific insights into the underlying mechanisms. Yet, conventional methods typically isolate a single solution, obscuring the full spectrum of plausible explanations. This work introduces GEMSS (Gaussian Ensemble for Multiple Sparse Solutions), a variational algorithm designed to simultaneously discover multiple, diverse sparse feature combinations. The method employs a structured spike-and-slab prior for sparsity, a mixture of Gaussians to approximate the intractable multimodal posterior, and a Jaccard-based penalty to further control solution diversity. A single objective function is optimized via stochastic gradient descent. The method is tested on 128 comprehensive experiments by a novel benchmarking framework designed to generate artificial problems with multiple sparse solutions of equal predictive properties. This allows us to measure the retrieval of ground truth features rather than only evaluating predictive performance – characteristics more fitting to our practical needs. A comparative analysis shows that GEMSS consistently outperforms five prominent feature selection methods adapted through the ALFESE framework. Finally, we demonstrate practical usability through 3 challenging real-world datasets from metabolomics and physical chemistry: GEMSS successfully isolates multiple distinct yet quality solutions. GEMSS is available as a PyPI package 'gemss'. The corresponding repository github.com/kat-er-ina/gemss/ includes the full codebase and a free, no-code application GEMSS Explorer.

19.
arXiv (quant-ph) 2026-06-17

Experimental Characterization and Modeling of Measurement-Induced State-Transitions in a Fluxonium Superconducting Qubit

arXiv:2606.17866v1 Announce Type: new Abstract: Superconducting qubits are most often measured using dispersive readout, which, ideally, implements a projective quantum non-demolition (QND) measurement. While a larger readout drive can increase the signal and, thus, reduce discrimination errors in the readout, strong microwave drives may also cause non-QND errors by driving the qubit to a state outside the computational subspace. In this work, we experimentally characterize measurement-induced state transitions (MIST) in a fluxonium qubit over its full external flux range. We further numerically calculate the MIST errors, and find that the theory accurately predicts eleven experimentally identified regions with increased MIST. In addition to transitions to higher fluxonium levels, we also find that, at certain flux points, MIST errors are dominated by transitions that include the transmission-line-like array modes of the fluxonium's superinductor. The excellent match between theory and experiment validates that the models accurately predict the occurrence of MIST in these systems, and further highlights the influence of array modes in fluxonium readout.

20.
arXiv (quant-ph) 2026-06-16

Initiation of Superradiance from Different Collective Spin States

arXiv:2606.14949v1 Announce Type: new Abstract: Superradiance is an extensive cooperative spontaneous emission phenomenon. Some atomic collective spin states exhibit it. However, distinct initial states differ in their decay dynamics. Dicke states with different numbers of excitations have their peak emission intensity shifted in time depending on the number of excitations. Emission intensity in atomic coherent states depends on their polarization. Some specific states undergo a squeezing controlled crossover, making the emission character dependent on the amount of squeezing in the state. We present detailed results on the superradiant dynamics of a representative selection of Dicke states. For large N, we are able to predict fairly accurately the pulse profile in each case using the mean field approximation, an approach based on the Fokker Planck Equation. We also present results on the intensity correlation function of the emission.

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

Training-Free Adversarial Robustness in Computational MRI

Deep learning (DL) methods have become the state-of-the-art for reconstructing sub-sampled magnetic resonance imaging (MRI) data. However, studies have shown that these methods are susceptible to small adversarial input perturbations, resulting in major distortions in the output images. Various strategies have been proposed to reduce the effects of these attacks, but they require retraining. In this work, we propose a novel approach for mitigating adversarial attacks on MRI reconstruction models without any retraining. Based on the idea of cyclic measurement consistency, we devise a novel mitigation objective that is minimized in a small ball around the attack input. Results show that our method substantially reduces the impact of adversarial perturbations across different datasets, attack types/strengths and PD-DL networks, and qualitatively and quantitatively outperforms conventional mitigation methods. We also introduce a practically relevant scenario for small adversarial perturbations that models impulse noise in raw data, which relates to herringbone artifacts, and show the applicability of our approach in this setting. Finally, we show our mitigation approach remains effective in two realistic extension scenarios: a blind setup, where the attack strength or algorithm is not known to the user; and an adaptive attack setup, where the attacker has full knowledge of the defense strategy.

22.
arXiv (CS.LG) 2026-06-24

Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning

arXiv:2606.24184v1 Announce Type: new Abstract: Retrosynthetic planning seeks to connect a target molecule to commercially available starting materials through a multistep route. Classical planners construct such routes by iteratively applying single-step reaction models within a search procedure; constrained variants often require specialized algorithms or architectural changes. Direct route generation reframes retrosynthesis as sequence generation, but existing direct-generation methods still train separate models for different planning specifications. We introduce Ariadne, a decoder-only route generator that represents the target, optional constraints, and route in one prompt-completion sequence. On the RetroCast/PaRoutes mkt-cnv-160 benchmark family, one 24-layer checkpoint follows route-depth and required-starting-material prompts: adding the corresponding prompt fields raises Solv-0 by 13.7 points for depth constraints and 31.2 points for required-leaf constraints. Ariadne also improves over DESP, a bidirectional search planner, on required-leaf Top-10 and Solv-0 in 24 GPU-minutes versus 6.8 GPU-hours. On standard reconstruction, Ariadne is comparable to DMS Explorer XL at about half the reported inference time. Across additional target-only benchmarks, Ariadne's clearest gains are on route-holdout reconstruction, whereas AiZynthFinder MCTS remains stronger on several Solv-0 comparisons. These results extend sequence generation from specialist retrosynthesis models to prompt-conditioned structural route generation. We release the codebase and training scripts to support further work, but do not introduce Tier-1–3 route checkers; those remain the main bottleneck before models of this kind can become useful to experimental chemists.

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

LLMs on Tabular Data with Limited Semantics: Evidence from Industrial Car Retrofit Prediction

arXiv:2606.15314v1 Announce Type: cross Abstract: Industrial retrofit planning depends on structured operational data rather than free text: planners must estimate whether a newly registered prototype will require a retrofit, which retrofit package it will need, and how long the work will take. We study an industrial dataset linking a prototype-registration system (284,271 vehicles) with a retrofit-management system (48,716 cleaned visits), and compare strong tabular machine learning baselines with three LLM-based strategies on row-serialized inputs: embedding features (Amazon Titan), direct prompted classification (Claude Sonnet 4), and an ML+LLM stacking approach. Across binary occurrence prediction, 15-way retrofit-type classification, per-visit duration regression, and an aggregated monthly benchmark, classical tree ensembles remain the strongest standalone models. However, the LLM results reveal a consistent pattern: embeddings remain useful on tables (binary AUC = 0.982), direct prompting collapses once semantic signal is stripped by hashing (binary AUC = 0.500; multiclass weighted F1 = 0.018), and hybrid stacking yields the best manually built multiclass model (weighted F1 = 0.626). On the monthly benchmark, lag-based machine learning outperforms time-series foundation models, though Chronos-small remains competitive in zero-shot forecasting. The results suggest that on privacy-constrained industrial tables, LLMs are more effective as complementary components than as replacements for strong tabular baselines.

24.
arXiv (CS.AI) 2026-06-12

Hellinger Multimodal Variational Autoencoders

arXiv:2601.06572v4 Announce Type: replace-cross Abstract: Multimodal variational autoencoders (VAEs) are widely used for weakly supervised generative learning with multiple modalities. Predominant methods aggregate unimodal inference distributions using either a product of experts (PoE), a mixture of experts (MoE), or their combinations to approximate the joint posterior. In this work, we revisit multimodal inference through the lens of probabilistic opinion pooling, an optimization-based approach. We start from Hölder pooling with $\alpha=0.5$, which corresponds to the unique symmetric member of the $\alpha-divergence$ family, and derive a moment-matching approximation, termed Hellinger. We then leverage such an approximation to propose HELVAE, a multimodal VAE that avoids sub-sampling, yielding an efficient yet effective model that: (i) learns more expressive latent representations as additional modalities are observed; and (ii) empirically achieves better trade-offs between generative coherence and quality, outperforming state-of-the-art multimodal VAE models.

25.
arXiv (CS.LG) 2026-06-11

Reverse Flow Matching: A Unified Framework for Online Reinforcement Learning with Diffusion and Flow Policies

arXiv:2601.08136v2 Announce Type: replace Abstract: Diffusion and flow policies are gaining prominence in online reinforcement learning (RL) due to their expressive power, yet training them efficiently remains a critical challenge. A fundamental difficulty that distinguishes online RL from standard generative modeling is the lack of direct samples from the target Boltzmann distribution defined by the Q-function. To address this, two seemingly distinct families of methods have been proposed for diffusion policies: a noise-expectation family, which uses a weighted average of noise as the training target, and a gradient-expectation family, which employs a weighted average of Q-function gradients. However, it remains unclear how these objectives are formally related, or whether they can be synthesized into a more general formulation. In this paper, we propose a unified framework, reverse flow matching (RFM), which rigorously addresses the problem of training diffusion and flow models without direct target samples. By adopting a reverse inferential perspective, we formulate the training target as a posterior mean estimation problem given an intermediate noisy sample. Crucially, we introduce Langevin Stein operators to construct zero-mean control variates, deriving a general class of estimators that share the same expectation. We show that existing noise-expectation and gradient-expectation methods are simply two specific instances within this broader class. This unified view yields two key advancements: it extends the capability of targeting Boltzmann distributions from diffusion to flow policies, and it enables the principled combination of Q-value and Q-gradient information to form an effective estimator, thereby improving training efficiency and stability. We instantiate RFM to train a flow policy in online RL and demonstrate improved performance on continuous-control benchmarks compared to diffusion policy baselines.