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01.
arXiv (CS.LG) 2026-06-17

Uncertainty Quantification for Flow-Based Vision-Language-Action Models

arXiv:2606.18043v1 Announce Type: cross Abstract: Vision-language-action models (VLAs) combine vision-language backbones with expressive generative action heads trained via flow matching on large-scale robotic datasets. Despite their strong empirical performance in robotic manipulation, VLAs lack mechanisms to quantify confidence in their predictions and to detect when their actions may be unreliable. This presents a critical limitation for real-world deployment in non-stationary environments, where models inevitably encounter scenarios outside their pretraining distribution and may fail without warning. To address this, we derive an efficient method for quantifying epistemic uncertainty in flow-matching models by leveraging velocity-field disagreement (VFD) across a small ensemble. We successfully use this uncertainty estimate for failure detection during deployment and active fine-tuning of flow-based VLAs. To this end, we propose SAVE, a framework for uncertainty-guided active multitask fine-tuning that reduces the number of costly expert demonstrations required to adapt VLAs to new tasks. Through extensive experiments on the LIBERO benchmark, we demonstrate that VFD yields better-calibrated uncertainty estimates predictive of downstream performance, that VFD achieves strong performance in detecting failures, and that uncertainty-guided data acquisition with SAVE requires at least 22% fewer samples than baselines. In summary, our work shows that quantifying epistemic uncertainty in flow-based VLAs improves both failure awareness and adaptation. Project website: tum-lsy.github.io/uq_vla/.

02.
arXiv (CS.LG) 2026-06-16

We Need Explanation Cards to Connect Explanation Algorithms to the Real World

arXiv:2606.16786v1 Announce Type: new Abstract: Algorithmic explanations are intended to help stakeholders understand opaque algorithmic decisions, but in practice, they often fall short. First, the meaning of algorithmic explanations is often not what one might intuitively expect, so expert knowledge is required to interpret them correctly. Second, recent work has shown that popular explanation algorithms are uninformative about the behavior of complex decision functions. Together, these issues create a gap between what explanations appear to convey and what they actually provide. In this work, we propose Explanation Cards for Explanation Algorithms, which augment standard explanations with complementary information about robustness and validity, as well as clear instructions for interpretation. The complementary information can render otherwise uninformative explanations practically useful, while also helping to detect cases where they are not. Importantly, the interpretation instructions in explanation cards shift responsibility from users to providers: Rather than expecting users to recognize what can and cannot be concluded from an explanation, providers must make this explicit upfront. Using counterfactual explanations and SHAP as examples, we demonstrate how providers can construct explanation cards and that these cards provide users with the guidance needed for sound interpretation. We further argue that explanation cards offer a practical means of operationalising the explainability provisions of the EU AI Act. Overall, explanation cards are a significant step toward making explanation algorithms fit for real-world use cases.

03.
arXiv (math.PR) 2026-06-15

Upper tails for irregular graphs beyond the mean-field regime

arXiv:2606.14564v1 Announce Type: new Abstract: Let $G_{n,p}$ be the binomial random graph of density $p$ and let $X_H$ be the number of copies of a fixed graph $H$ in $G_{n,p}$. We prove asymptotically tight bounds on the logarithmic upper-tail probability of $X_H$ whenever $H$ is a connected, irregular graph with maximum degree $\Delta \ge 2$ and $p \ge n^{-1/\Delta - \varepsilon_H} (\log n)^{\omega(1)}$ for an explicit $\varepsilon_H >0$. These bounds are expressed in terms of a new variational problem that generalises the combinatorial optimisation problem arising from the naïve mean-field approximation. This new variational problem includes an entropy term that corresponds to the large number of embeddings of certain highly structured graphs in $K_n$. For a certain class of irregular graphs $H$ that we call stable, we show that this description of the upper-tail probability is valid in a range of densities that is optimal up to a poly($\log\log n$) factor. For a further subclass of stable graphs, which includes all irregular complete bipartite graphs, we show that this range of densities is optimal up to a multiplicative constant.

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

A Quantum Approach to Stochastic Optimization in Insurance Underwriting

arXiv:2605.01169v2 Announce Type: replace Abstract: The presence of stochastic elements in combinatorial optimization problems makes them particularly challenging, as such problems quickly become intractable for classical computers even at relatively small sizes. In this work, we propose a novel quantum-classical hybrid scheme for solving a class of stochastic optimization problems known as chance-constrained knapsack problems, in which item weights follow probability distributions and constraints may be violated within a specified risk tolerance. Our method employs knapsack-specific QAOA-based circuits to generate samples which, when combined with a new self-consistent classical recovery scheme introduced in this work, produce high-quality solutions. Experiments carried out on IBM Heron processors, using circuits with depths up to 177 and comprising 3443 gates acting on as many as 150 qubits, yield solutions that indicate performance comparable to classical optimization schemes. The proposed quantum-classical scheme paves the way to tackling such problems, with the potential to outperform approaches that rely solely on classical computation.

05.
arXiv (math.PR) 2026-06-17

Moment generating function of the tacnode process

作者:

arXiv:2606.17771v1 Announce Type: cross Abstract: The tacnode process is a universal determinantal point process arising in non-intersecting particle systems and random tiling models. In this paper, we study the generating function for the counting functions of the tacnode process on a union of $m$ intervals, $m\in\mathbb{N}^{+}$. Our first result provides an integral representation for the $m$-point generating function in terms of the Hamiltonian governing a system of $8m+4$ coupled differential equations. Combined with several differential identities for this Hamiltonian, the representation yields the large gap asymptotics, up to and including the constant term. As further applications, we obtain asymptotic formulae for the expectations, variances, and covariances of the counting functions, and establish a central limit theorem for their joint fluctuations. These results extend the previously known $1$-point theory for the tacnode process to the multi-interval setting with multiple discontinuities.

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

Ambient Diffusion Policy: Imitation Learning from Suboptimal Data in Robotics

arXiv:2606.12365v1 Announce Type: cross Abstract: We propose Ambient Diffusion Policy, a simple and principled method for imitation learning from suboptimal data in robotics. High-quality, task-specific robot data is expensive and time-consuming to collect, while suboptimal datasets with lower-quality or out-of-distribution demonstrations are abundant. Existing methods that co-train on both data sources in robotics often fail to separate the meaningful and the harmful features in the suboptimal samples. In contrast, our method extracts only the useful features by introducing a new axis to co-training in robotics: noise-dependent data usage. Ambient Diffusion Policy restricts the contribution of suboptimal data during training to only the high and low diffusion times. To rigorously justify our approach, we first observe that robot action data exhibits a spectral power law. This induces two important properties on the optimal Diffusion Policy that we exploit: a global-to-local hierarchy and locality. We theoretically formalize this discussion using a simplified model. Our experiments validate Ambient Diffusion Policy on four types of suboptimal action data (noisy trajectories, sim-to-real gap, task mismatch, and large-scale data mixtures) across six tasks. The results show that it effectively learns from arbitrary sources of suboptimal data. Notably, it outperforms existing co-training baselines by up to 33% when scaled to Open X-Embodiment - a large dataset with heterogeneous data quality and unstructured distribution shifts. Overall, Ambient Diffusion Policy increases the utility of suboptimal demonstrations and expands the set of usable data sources in robotics.

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

Ranking Abuse via Strategic Pairwise Data Perturbations

arXiv:2604.17805v2 Announce Type: replace-cross Abstract: Pairwise ranking systems based on Maximum Likelihood Estimation (MLE), such as the Bradley-Terry model, are widely used to aggregate preferences from pairwise comparisons. However, their robustness under strategic data manipulation remains insufficiently understood. In this paper, we study the vulnerability of MLE-based ranking systems to adversarial perturbations. We formulate the manipulation task as a constrained combinatorial optimization problem and propose an Adaptive Subset Selection Attack (ASSA) to efficiently identify high-impact perturbations. Experimental results on both synthetic data and real-world election datasets show that MLE-based rankings exhibit a sharp phase-transition behavior: beyond a small perturbation budget, a limited number of strategic voters can significantly alter the global ranking. In particular, our method consistently outperforms random and greedy baselines under constrained budgets. These findings reveal a fundamental sensitivity of MLE-based ranking mechanisms to structured perturbations and highlight the need for more robust aggregation methods in collective decision-making systems.

08.
arXiv (CS.AI) 2026-06-16

PH-KAN: Port-Hamiltonian Kolmogorov-Arnold Network

arXiv:2606.14708v1 Announce Type: cross Abstract: Data-driven machine learning approaches have become increasingly attractive for nonlinear system identification, but standard models often fail to preserve the underlying physical structure and remain difficult to interpret, especially when no analytical model is available. In this context, port-Hamiltonian (pH) models provide a natural physics-informed representation. However, when these models are parameterized with standard multilayer perceptrons (MLPs), the learned constitutive components often remain poorly interpretable. In this paper, we propose a structure-preserving identification framework for nonlinear port-Hamiltonian systems based on Kolmogorov-Arnold Networks (KANs). The proposed PH-KAN model parameterizes the interconnection matrix, dissipation matrix, Hamiltonian, and input mapping using dedicated KAN blocks, while enforcing the port-Hamiltonian constraints by construction. This yields constitutive representations in which the nonlinear functions defining the identified pH components can be explicitly inspected, leading to a more interpretable model than with standard MLP-based parameterizations.

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

Trusted Multi-View Deep Learning Classification of Fetal Congenital Heart Disease with Feature-level and Decision-level Fusion

Congenital heart disease (CHD) refers to the abnormal anatomical structure caused by the abnormal development of the heart and great vessels during embryonic development. Traditional diagnostics often fail to achieve high accuracy and efficiency, especially given the complexity of cardiac anatomy. This study presents a specialized multi-view deep learning framework for CHD binary classification using echocardiographic images. A large-scale CHD dataset, including five views, was used to train the model, enabling it to integrate multi-angle image data. The framework utilizes advanced feature extraction and attention mechanisms to improve diagnostic precision and reliability. An uncertainty-based decision-making component is also integrated to handle low-quality images, enhancing diagnostic outcomes. Experimental results show that this method achieves top-tier performance on our dataset and provides a robust tool for early CHD detection, underscoring its potential for clinical use. The dataset and source code will be released upon paper acceptance.

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

HKVM-RAG: Key-Value-Separated Hypergraph Evidence Organization for Multi-Hop RAG

Multi-hop RAG poses a data-engineering problem beyond passage matching: under fixed retrieval budgets, a system must organize retrieved text into evidence units that expose answer chains. Dense retrievers score passages independently, while graph-based memories make associations explicit but often rely on pairwise or entity-centered keys that fragment multi-hop evidence. We present HKVM-RAG, a key-value-separated evidence-organization layer. It assembles answer-path hyperedges from cached passage-level LLM evidence tuples and uses them as retrieval keys, while retaining passage text as answer values. To isolate key-space design, our fixed-substrate protocol holds the tuple cache, candidate passages, reader, and evaluation budget constant across pairwise graph and hypergraph variants. Weighted hypergraph key-value retrieval improves over KG-PPR by +3.426 F1 on 2WikiMultiHopQA and +3.592 F1 on MuSiQue; HotpotQA shows that higher structured support coverage need not yield standalone answer-F1 gains. We therefore study WHG-KV as an evidence-control signal rather than a dense-retrieval replacement. Oracle and train-to-dev analyses identify support selection as repairable, and a dense-aware controller combines frozen ColBERTv2 and HKVM rank/score features using out-of-fold HKVM predictions. It reaches 88.846, 65.073, and 85.810 F1 on the three benchmarks, improving over ColBERTv2 by +11.084, +6.763, and +5.966 F1. Source-level ablations show that matched non-WHG structured signals do not match the WHG-KV gains. These results provide bounded evidence that key-value-separated hypergraph organization can serve as a reusable evidence-control mechanism for multi-hop RAG.

11.
arXiv (quant-ph) 2026-06-12

Simple analytical flux-tuned iSWAP pulses for leakage suppression

arXiv:2606.13052v1 Announce Type: new Abstract: Fast, high-fidelity two-qubit gates are a key requirement for fault-tolerant quantum computation. Tunable coupler architectures provide a flexible approach for implementing entangling gates through flux control with large on-off ratios, but fast flux modulation can induce diabatic transitions and population leakage to non-computational states, limiting gate performance. Here we present an analytical flux control method enabling derivative removal by adiabatic gate ($\Phi$-DRAG) for suppressing leakage in flux tunable two-qubit gates. We show that $\Phi$-DRAG differs fundamentally from conventional microwave implementations and derive modified flux modulation protocols that suppress leakage below $10^{-4}$ for fast entangling gates. The method remains effective across a range of asymmetry between qubit anharmonicities and different circuit parameters, enabling high-fidelity two-qubit gates within the fifteen nanosecond range.

12.
arXiv (quant-ph) 2026-06-11

On-Chip Quantum Randomness Amplification

arXiv:2606.12173v1 Announce Type: new Abstract: Randomness amplification, the task of extracting uniform private bits from biased seeds that may be partly known by a malicious third party, is of central importance in cryptography. The highest security in this task is provided by a class of quantum protocols known as device-independent, which however are challenging to integrate into scalable devices. Semi-device-independent (SDI) protocols are a promising alternative that guarantees security under few natural assumptions, such as bounds on the amount of energy used by the devices. Here, we provide the first demonstration of SDI randomness amplification on an integrated silicon photonic chip, achieving a throughput rate of 20 Mbps suitable for practical applications. This rate is achieved through a novel technique for SDI entropy certification, which delivers strictly tighter von Neumann entropy bounds compared to existing methods and remains valid even if the preparation and measurement devices share quantum correlations. Overall, the methods developed in this work enable the integration of SDI technology into portable telecom devices, opening up a new generation of quantum cryptographic hardware.

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

Deep Reinforcement Learning for Minimum Zero-Forcing Sets

arXiv:2606.18106v1 Announce Type: new Abstract: This paper explores the problem of finding the minimum zero-forcing set on undirected graphs and proposes an adapted machine-learning framework to solve the problem. The minimum zero-forcing set problem is a graph coloring problem where the color of an initial set of nodes propagates throughout a network. The set of nodes is zero-forcing if it forces all uncolored nodes to change color under the constraint of the color-change rule. There are several applications to this problem across different domains such as network science, network control, and designing logical circuits. Finding the minimum zero-forcing set is shown to be NP-hard. We propose a reinforcement learning framework, SD-ZFS, that adapts the S2V-DQN architecture to the ZFS problem. We train several models on this adapted framework and analyze the performance across graph datasets that have varying structures. We evaluate how the models trained on the framework generalize, scale, and transfer to different network types. The results demonstrate the effectiveness of the framework when compared against the optimal solution and greedy heuristic. We provide further insight into how the ZFS problem can be solved through machine-learning and the influence of network structure on the problem.

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

LongSpike: Fractional Order Spiking State Space Models for Efficient Long Sequence Learning

arXiv:2606.12895v1 Announce Type: new Abstract: Spiking Neural Networks (SNNs) are well-regarded for their biological plausibility and energy efficiency in processing sequential data. However, dominant SNN architectures typically rely on first-order Ordinary Differential Equations (ODEs) to govern neuronal state transitions. This first-order assumption imposes a "memoryless" bottleneck, limiting the model's capacity to capture the complex, long-range dependencies inherent in long-sequence tasks. In this work, we propose LongSpike, a novel SNN framework that integrates fractional-order State-Space Modeling, or f-SSM, from control theory into the spiking domain. By extending traditional integer-order SSMs to the fractional-calculus regime, LongSpike enables the hierarchical integration of neuronal dynamics with long-memory kernels. To mitigate the computational overhead and parallelization challenges typically associated with fractional operators, we leverage a state-space formulation that supports efficient, parallel training. Empirical evaluations on challenging benchmarks, including Long Range Arena (LRA), large-scale WikiText-103, and Speech Commands, demonstrate that LongSpike outperforms state-of-the-art SNNs in accuracy while preserving sparse synaptic computation. The code is available at https://github.com/xinruihe389-commits/LongSpike.

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

Digital Twin Driven Textile Classification and Foreign Object Recognition in Automated Sorting Systems

The increasing demand for sustainable textile recycling requires robust automation solutions capable of handling deformable garments and detecting foreign objects in cluttered environments. This work presents a digital twin driven robotic sorting system that integrates grasp prediction, multi modal perception, and semantic reasoning for real world textile classification. A dual arm robotic cell equipped with RGBD sensing, capacitive tactile feedback, and collision-aware motion planning autonomously separates garments from an unsorted basket, transfers them to an inspection zone, and classifies them using state of the art Visual Language Models (VLMs). We benchmark nine VLM s from five model families on a dataset of 223 inspection scenarios comprising shirts, socks, trousers, underwear, foreign objects (including garments outside of the aforementioned classes), and empty scenes. The evaluation assesses per class accuracy, hallucination behavior, and computational performance under practical hardware constraints. Results show that the Qwen model family achieves the highest overall accuracy (up to 87.9 %), with strong foreign object detection performance, while lighter models such as Gemma3 offer competitive speed accuracy trade offs for edge deployment. A digital twin combined with MoveIt enables collision aware path planning and integrates segmented 3D point clouds of inspected garments into the virtual environment for improved manipulation reliability. The presented system demonstrates the feasibility of combining semantic VLM reasoning with conventional grasp detection and digital twin technology for scalable, autonomous textile sorting in realistic industrial settings.

16.
Nature (Science) 2026-06-10

Diverse binding poses of agonistic neurotoxins on human Na<sub>v</sub>1.6

作者:

Voltage-gated sodium (Nav) channels are key targets of various venomous toxins. Deciphering the binding poses and mechanisms of action of representative toxins will help to dissect the functional mechanism of the channels and facilitate therapeutic development targeting Nav channels1,2. Here we present cryo-electron microscopy&nbsp;(cryo-EM) structures of distinct binding poses of three agonistic peptide toxins on the human Nav1.6–β1 channel complex. The globular β-scorpion toxin Cn2 nestles between the extracellular segment of voltage-sensing domain (VSD)&nbsp;in the second repeat of the Nav1.6 core α-unit (VSDII) and the pore extracellular loops in the third repeat of the Nav1.6 core α-unit (ECLIII), where it is stabilized by interactions with both protein regions and the branched N1372-glycan. Cone&nbsp;snail ι-conotoxin RXIA adopts an elongated conformation, spanning VSDI and VSDIV to wrap around the shoulder of the pore domain (PD). The bullet&nbsp;ant-derived toxin δ-paraponeritoxin-Pc1a exists as a transmembrane helix that stands between VSDII and PDIII. Our findings, corroborated by functional characterizations, illustrate the diversity in peptide toxin binding poses and mechanisms of action, link stabilization of the up state of VSDI or VSDII to channel activation, and provide clues to the rational design of selective Nav channel modulators. Structures of the distinct binding poses of three agonistic peptide toxins—bullet-ant-derived toxin δ-paraponeritoxin-Pc1a, cone&nbsp;snail ι-conotoxin RXIA and the globular β-scorpion toxin Cn2—on the human Nav1.6–β1 channel complex illustrate a diversity in binding poses and mechanisms of action.

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

On the Stability of the Jacobian Matrix in Deep Neural Networks

arXiv:2506.08764v3 Announce Type: replace Abstract: Deep neural networks are known to suffer from exploding or vanishing gradients as depth increases, a phenomenon closely tied to the spectral behavior of the input-output Jacobian. Prior work has identified critical initialization schemes that ensure Jacobian stability, but these analyses are typically restricted to fully connected networks with i.i.d. weights. In this work, we go significantly beyond these limitations: we establish a general stability theorem for deep neural networks that accommodates sparsity (such as that introduced by pruning) and non-i.i.d., weakly correlated weights (e.g. induced by training). Our results rely on recent advances in random matrix theory, and provide rigorous guarantees for spectral stability in a much broader class of network models. This extends the theoretical foundation for initialization schemes in modern neural networks with structured and dependent randomness.

18.
arXiv (CS.LG) 2026-06-11

Provable Recovery of Locally Important Signed Features and Interactions from Random Forest

arXiv:2512.11081v2 Announce Type: replace-cross Abstract: Feature and Interaction Importance (FII) methods are essential in supervised learning for assessing the relevance of input variables and their interactions in complex prediction models. In many domains, such as personalized medicine, local interpretations for individual predictions are often required, rather than global scores summarizing overall feature importance. Random Forests (RFs) are widely used in these settings, and existing interpretability methods typically exploit tree structures and split statistics to provide model-specific insights. However, theoretical understanding of local FII methods for RF remains limited, making it unclear how to interpret high importance scores for individual predictions. We propose a novel, local, model-specific FII method that identifies frequent co-occurrences of features along decision paths, combining global patterns with those observed on paths specific to a given test point. We prove that our method consistently recovers the true local signal features and their interactions under a Locally Spike Sparse (LSS) model and also identifies whether large or small feature values drive a prediction. We illustrate the usefulness of our method and theoretical results through simulation studies and a real-world data example.

19.
arXiv (CS.CV) 2026-06-16

MVEB: Massive Video Embedding Benchmark

We introduce the Massive Video Embedding Benchmark (MVEB), a 23-task benchmark for video embeddings spanning classification, zero-shot classification, clustering, pair classification, retrieval, and video-centric question answering. We evaluate 33 models and find that no single model dominates: MLLM-based embeddings lead on classification, clustering, pair classification, and QA; multimodal binding leads on retrieval and zero-shot classification; generative MLLMs without contrastive adaptation collapse on cross-modal tasks. Paired video-only vs. audio+video evaluations show that audio's contribution depends on dataset annotation provenance: audio helps when labels were produced from both modalities and hurts when they were produced from visuals alone, a six-point gap consistent across model families. MVEB is derived from MVEB+, a 184-task pool, and is designed to maintain task diversity while reducing evaluation cost. It integrates into the MTEB ecosystem for unified evaluation across text, image, audio, and video. We release MVEB and all 184 tasks along with code and a leaderboard at https://github.com/embeddings-benchmark/mteb.

20.
arXiv (CS.LG) 2026-06-12

Reliability of Probabilistic Emulation of Physical Systems

arXiv:2606.12997v1 Announce Type: new Abstract: Two dominant approaches have emerged for generating probabilistic forecasts of physical systems: generative models, such as diffusion or flow matching; and ensembles of deterministic models with stochasticity injected, trained using the continuous ranked probability score (CRPS) loss. While both approaches have demonstrated strong predictive accuracy, the reliability of their uncertainties has not been systematically assessed. We address this gap by developing a framework to evaluate both approaches across diverse 2D spatiotemporal physical systems, under matched model size and computational budget. We assess the reliability of probabilistic emulation by inspecting the empirical coverage of predictive intervals, while also considering accuracy and computational efficiency metrics. CRPS-trained ensembles typically achieve more reliable uncertainties on both single-step prediction and autoregressive rollouts, demonstrating better coverage than the standard alternative of training generative models in a latent space. Moreover, the CRPS approach offers significantly faster inference. When generative models are trained in ambient rather than a compressed latent space, which is often infeasible for high-dimensional problems, they exhibit comparable coverage to CRPS-trained ensembles, though with substantially larger inference latency. In contrast, when CRPS-trained ensembles are trained in latent space they do not show a marked degradation in coverage with respect to ambient space. Both generative models and CRPS-trained ensembles demonstrate good predictive accuracy. To facilitate future research and application, we release AutoCast, a modular framework implementing both generative models and CRPS-trained ensembles, alongside AutoSim, a flexible dataset generation package for rapid prototyping.

21.
arXiv (CS.CL) 2026-06-17

Securing Multi-Agent GIS Systems: Risk Evaluation and Prompt Hardening Optimization

Agentic systems are increasingly integrated with geographic information systems (GIS), where multi-agent coordination enables complex conversational and spatial analysis but introduces security risks. This work presents a security-oriented framework for risk identification, evaluation, and mitigation in a multi-agent GIS system while maintaining adaptability to broader agentic architectures. We test the agentic system of a commercial geospatial partner while developing a modular state-machine-based orchestration framework that abstracts agent behavior into reusable components. We evaluate robustness using a red-teaming framework with an adaptive attacker LLM and a deterministic judge that produces binary outcomes with supporting rationales across multi-turn attacks. We further improve resilience with a prompt optimization framework that treats prompts as structured signatures and injects adversarial demonstrations, enabling systematic security improvements without degrading task performance.

22.
bioRxiv (Bioinfo) 2026-06-16

THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication

Natural products remain one of the most productive sources of pharmacologically active compounds for drug discovery, yet the current open aggregator landscape attributes licenses at database rather than compound granularity, with consequences that have become tangible as the field grows. A recent relicensing event in one constituent source (the September 2024 transition of the Natural Products Atlas to CC BY-NC 4.0) demonstrates how database-level licensing propagates across an aggregate and motivates the per-compound audit framework presented here. The same peer cohort separately leaves classification provenance and stereoisomer-family relations coarser than either layer warrants. THEOBROMA, accessible at url{https://theobroma.l3s.uni-hannover.de}, integrates 1{,}133{,}004 natural products from 29 open sources under a per-compound license audit that resolves each compound's license tier across all attesting sources under a most-restrictive-wins rule, identifying 900{,}170 compounds (79.4%) under open-use licenses and exposing the per-source attestation chain and resolved tier through a dedicated audit endpoint and a query-time license filter. A three-tier classification stratifies 89.3% coverage into 35.1% curated, 43.9% high-confidence inferred, and 10.3% exploratory tiers, with 486{,}215 stereoisomer families preserved by full 27-character InChIKey deduplication and exposed via a dedicated texttt{/api/stereoisomers/} endpoint and a radial-family display. Per-compound license provenance is the primary differentiator. Classification stratification and stereoisomer-family exposure add finer-grained access to two related axes, supporting license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale. As an evolving open resource, THEOBROMA pairs continuous pipeline maintenance with interactive geographic, taxonomic, and chemical-space exploration.

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

Learning to Share: Selective Memory for Efficient Parallel Agentic Systems

arXiv:2602.05965v2 Announce Type: replace-cross Abstract: Agentic systems solve complex tasks by coordinating multiple agents that iteratively reason, invoke tools, and exchange intermediate results. To improve robustness and solution quality, recent approaches deploy multiple agent teams running in parallel to explore diverse reasoning trajectories. However, parallel execution comes at a significant computational cost: when different teams independently reason about similar sub-problems or execute analogous steps, they repeatedly perform substantial overlapping computation. To address these limitations, in this paper, we propose Learning to Share (LTS), a learned shared-memory mechanism for parallel agentic frameworks that enables selective cross-team information reuse while controlling context growth. LTS introduces a global memory bank accessible to all teams and a lightweight controller that decides whether intermediate agent steps should be added to memory or not. The controller is trained using stepwise reinforcement learning with usage-aware credit assignment, allowing it to identify information that is globally useful across parallel executions. Experiments on the AssistantBench and GAIA benchmarks show that LTS significantly reduces overall runtime while matching or improving task performance compared to memory-free parallel baselines, demonstrating that learned memory admission is an effective strategy for improving the efficiency of parallel agentic systems. Project page: https://joefioresi718.github.io/LTS_webpage/

24.
arXiv (CS.AI) 2026-06-19

Hierarchical Control in Multi-Agent Games: LLM-based Planning and RL Execution

arXiv:2606.20014v1 Announce Type: cross Abstract: Reinforcement learning (RL) has achieved strong performance in sequential decision-making, yet scaling to complex multi-agent environments remains challenging due to sparse rewards, large state-action spaces, and the difficulty of learning coordinated strategies. We propose a hierarchical architecture where a pretrained large language model (LLM) acts as a centralized strategic controller that selects among specialized RL skill policies for a team of agents, while RL policies handle reactive low-level execution. We evaluate this hybrid system in a competitive 2v2 King of the Hill environment against behavior tree (BT) and ``Flat'' RL (end-to-end training without skill decomposition) baselines. The LLM+RL system achieves task performance statistically equivalent to hand-crafted BT (46.4\% vs 51.5\% win rate, $p=0.103$) while both significantly outperform Flat RL trained without skill decomposition. A user study ($n=15$) reveals that 60\% of participants perceive LLM+RL agents as the most human-like ($p=0.027$), citing behavioral adaptability and tactical variability. These results demonstrate that pretrained LLM reasoning can effectively orchestrate pretrained RL skills, achieving competitive multi-agent coordination and superior perceived believability without manual rule engineering.

25.
arXiv (CS.AI) 2026-06-17

LoopCoder-v2: Only Loop Once for Efficient Test-Time Computation Scaling

arXiv:2606.18023v1 Announce Type: cross Abstract: Looped Transformers scale latent computation by repeatedly applying shared blocks, but sequential looping increases latency and KV-cache memory with the loop count. Parallel loop Transformers (PLT) alleviate this cost through cross-loop position offsets (CLP) and shared-KV gated sliding-window attention, making loop count a practical design choice. We therefore study PLT loop-count selection through a gain–cost view: an extra loop may refine representations, but CLP also introduces a positional mismatch at each loop boundary. We instantiate this study by training LoopCoder-v2, a family of 7B PLT coders with different loop counts, from scratch on 18T tokens, followed by matched instruction tuning and evaluation. Empirically, the two-loop variant delivers broad gains over the non-looped baseline across code generation, code reasoning, agentic software engineering, and tool-use benchmarks, improving SWE-bench Verified from 43.0 to 64.4 points and Multi-SWE from 14.0 to 31.0 points. In contrast, variants with three or more loops regress, revealing a strongly non-monotonic loop-count effect. Our diagnostics show that loop 2 provides the main productive refinement, while later loops yield diminishing, oscillatory updates and reduced representational diversity. Because the CLP-induced mismatch remains roughly fixed as refinement gains shrink, the offset cost increasingly dominates. This gain–cost trade-off explains PLT's saturation at two loops and provides diagnostics for loop-count selection.