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

Data Standards for Humanoid Robotics: The Missing Infrastructure for Physical AI

arXiv:2606.19769v1 Announce Type: cross Abstract: The scalability of humanoid robots will depend not only on models and hardware, but also on whether physical experience can accumulate across robots, tasks, organizations, and time. Drawing on the authors' work in developing ISO/WD 26264-1, Humanoid robot datasets – Part 1: General requirements, within ISO/TC 299/WG 16, this article argues that data standards are becoming foundational infrastructure for Physical AI. We develop three insights. First, humanoid robot data is embodied interaction data, not a collection of isolated digital samples; a useful dataset must preserve the relationship among robot body, action, task, scene, execution trace, and outcome. Second, its value depends on physical coherence: multimodal streams are reusable only when timing, coordinate frames, calibration, kinematics, units, and synchronization assumptions remain inspectable. Third, the main bottleneck is not only data scarcity, but non-cumulative data caused by high collection costs, data silos, and inconsistent evaluation. We argue that humanoid robot data standards address these bottlenecks by making embodied experience interpretable, shareable, traceable, and reusable. A general standard should provide horizontal infrastructure for lifecycle management, metadata, provenance, quality, versioning, and traceability, while capability-specific parts should define domain grammar for manipulation, locomotion, human-robot interaction, cognition, and future humanoid capabilities. As AI moves from screens into bodies, data standards must evolve from organizing digital information to structuring physical interaction.

02.
Nature (Science) 2026-06-08

Distributed control circuits across a brain-and-cord connectome

Just as genomes revolutionized molecular genetics, connectomes (maps of neurons and synapses) are transforming neuroscience. To date, the only organisms with complete connectomes are worms1–3, sea squirts4, and comb jellies5 (103–104 synapses). By contrast, the fruit fly is more complex (108 synaptic connections), with a brain that supports learning and spatial memory6,7 and an intricate ventral nerve cord analogous to the vertebrate spinal cord8–12. Here we report the first densely-reconstructed adult fly connectome that unites the brain and ventral nerve cord, and we leverage this resource to investigate principles of neural control. We show that effector neurons (motor neurons, endocrine cells, and efferent neurons targeting the viscera) are primarily influenced by sensory neurons in the same body part, forming local feedback loops. These local loops are linked by long-range circuits involving ascending and descending neurons organized into behavior-centric modules. Single ascending and descending neurons are often positioned to influence the voluntary movements of multiple body parts, together with the endocrine cells or visceral organs that support those movements. Brain regions involved in learning and navigation supervise these circuits. These results reveal an architecture that is distributed, parallelized, and embodied, reminiscent of distributed control architectures in engineered systems13,14.

03.
arXiv (CS.LG) 2026-06-15

Curvature-Guided Geometric Representation for Protein-Ligand Binding Affinity Prediction

arXiv:2606.14159v1 Announce Type: new Abstract: Protein-ligand binding affinity (PLA) prediction is critical in drug discovery. Despite the notable advancements in machine learning-based approaches, existing methods struggle to jointly characterize local geometric organization and globally coordinated cross-molecular interactions, limiting their ability to model complex binding mechanisms. Here, we propose RicciBind, a geometric representation framework that integrates curvature-guided hierarchical structure learning with optimal transport (OT)-based cross-domain alignment to model molecular interactions. Specifically, RicciBind leverages Ricci curvature to capture local interaction tightness within molecular structures, enhancing structural awareness and organizing atomic interactions into curvature-aware hierarchical representations. An OT-based cluster matching mechanism then aligns protein and ligand clusters across heterogeneous domains under geometric constraints, enabling globally consistent correspondences and revealing higher-order interaction patterns beyond local neighborhoods. By coupling curvature-guided structure encoding with OT-driven cross-domain alignment, RicciBind effectively models complex interaction semantics and substantially improves both the accuracy and interpretability of binding affinity prediction. Extensive experiments demonstrate that RicciBind achieved superior predictive performance and generalization across PLA benchmarks and virtual screening tasks. Ablation studies further confirmed the essential role of Ricci curvature in enhancing molecular interaction representations.

04.
arXiv (quant-ph) 2026-06-11

Generating function and Bloch representation for quantum Fisher tensor

arXiv:2603.04615v2 Announce Type: replace Abstract: The Uhlmann relative amplitude between two density matrices is shown to be a generating function, through which the quantum Fisher tensor that contains both the quantum Fisher information matrix and the mean Uhlmann curvature can be obtained via differentiation over system parameters. In the pure state limit, our generating function recovers that of the quantum geometric tensor proposed by Het\'{e}nyi and L\'{e}vay, and also clarifies the fidelity and phase between two quantum states as the generating functions of the quantum metric and Berry curvature, respectively. A generic expression for the quantum Fisher tensor in terms of the Bloch representation of density matrices is derived, which facilitates the calculation of the tensor, mean Uhlmann curvature, and geometric properties derived from the quantum Fisher information matrix. Canonical ensembles of spins are adopted to demonstrate our formalism, which reveals a constant Ricci scalar, a vacuum Einstein equation, and a cosmological constant on the 3D Euclidean manifold of the magnetic field.

05.
arXiv (CS.CV) 2026-06-18

Bridging Single Distortion Artifacts and Mmultifactorial Clinical Quality: Few-shot Biparametric MRI Quality Assessment via Distortion-trained Prototypical Networks

Clinical prostate multi-parametric MRI relies heavily on high-quality diffusion-weighted imaging (DWI), yet reading DWI is frequently compromised by geometric distortion, often caused by rectal air. Assessing quality via the PI-QUAL scoring system is an emerging clinical standard, but it is subjective, time-consuming and suffers from a class imbalance where low-quality cases are diverse and relatively scarce. Using the PRIME clinical trial as an example, there are $6\%$ images with PI-QUAL scores lower than 4, $87\%$ of DWI issues are due to distortion. Many of the other clinical quality issues are under-represented. To address this common dual-scarcity of annotated clinical data, we propose a few-shot biparametric prototypical network for automated image quality assessment (IQA). Our framework utilizes a dual-branch 3D ResNet to fuse T2-weighted and DWI features, providing anatomical context to distinguish true morphology from distortion. To handle real-world heterogeneity, we introduce feature-wise linear modulation (FiLM) and a gradient reversal layer (GRL) to align feature distributions conditioned on varying b-values while suppressing acquisition-related biases. We demonstrate that a model meta-trained solely on comparatively objective, readily obtainable distortion labels can effectively adapt to predicting complex, multi-factorial clinical quality scores such as PI-QUAL using only five representative samples. Experimental results on two datasets show that our method significantly outperforms few-shot learning baselines for this challenging IQA task, offering a practically feasible and data-efficient solution for standardizing prostate MRI quality control in clinical workflows.

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

Optimal Order of Multi-Agent and General Many-Body Systems

作者:

arXiv:2606.20485v1 Announce Type: cross Abstract: This paper develops a general framework for analyzing multi-agent systems with feedback loops between agents actions and collective observations. The framework is built on two fundamental agent-level variables: power, which measures agent influence on collective outcomes, and response functions, which determine how agents react to observations. We derive how macroscopic properties, including total power, useful power, entropy, order, fragility, and mobility, emerge from these two variables of heterogeneous agents. To study the trade off between growth and resilience, we introduce a system-level utility function parameterized by a risk-appetite coefficient and derive an optimal degree of order that balances productivity, stability, and adaptability. The analysis suggests that stronger synchronization can increase collective output but may also increase systemic fragility and reduce mobility. We further argue that order, entropy, information, and useful energy are task-dependent and system-relative concepts whose meanings depend on the objectives of the system. By measuring and designing agent power distributions and response functions, it may be possible to better understand, predict, and optimize collective behavior and identify the conditions under which collective intelligence and optimal order emerge.

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

ShipNet: A Geometric Deep Learning Surrogate for Real-Time Ship Hydrodynamics

arXiv:2606.15356v1 Announce Type: cross Abstract: Accurate prediction of hydrodynamic performance is central to ship design, yet high-fidelity computational fluid dynamics remains prohibitively expensive for large-scale parametric exploration. This motivates the development of data-driven surrogate models that provide rapid approximations to hydrodynamic predictions at substantially reduced cost. We present ShipNet, a geometric deep-learning surrogate that predicts both hull-surface pressure distributions and far-field free-surface wave patterns directly from hull geometry and speed. The network employs a regularized dynamic graph convolutional backbone on hull point clouds, with a multi-head decoder for simultaneous near-body pressure and free-surface elevation outputs. Training data consist of 420 inviscid free-surface simulations generated using a potential-flow panel method for two parent yacht hulls, each parameterized into 70 variants and evaluated at three speeds. ShipNet predicts per-point pressure coefficient and two-dimensional wave elevation map using a composite loss that combines point-wise regression and image-structure terms. On a geometry-held-out test set, ShipNet achieves R^2=0.98 for hull pressure and R^2=0.91 for wave fields. Inference requires approximately 0.15s per case, yielding over a 550x speedup relative to the potential-flow solver on conventional hardware. Limitations include the restricted geometry and speed ranges and the inviscid training data, while future work will extend the model to high-fidelity viscous simulations with physics-informed regularization.

08.
arXiv (quant-ph) 2026-06-16

Quantum Global Variational Learning for Quantum Error Correction

arXiv:2606.08592v2 Announce Type: replace-cross Abstract: Efficient quantum error correction is essential for the advancement of quantum computing. We propose a quantum neural network with a global structure that reduces the number of unitary matrices required in quantum circuits. This approach resulted in a 97% reduction in training time and up to a 25% improvement in the training completion rate, ultimately achieving a 100% success rate in training while surpassing the error correction performance reported in previous studies. In addition, we demonstrated the enhanced robustness of quantum error correction against internal network noise. Moreover, the fidelity of quantum error correction under internal network noise increased by up to 15% due to the reduced computational load.

09.
arXiv (CS.LG) 2026-06-17

Bounded Difference Concentration for Infinitely Exchangeable Sequences with Applications to AI Benchmark Uncertainty

arXiv:2606.17426v1 Announce Type: cross Abstract: We consider the concentration properties of functions of infinitely exchangeable random variables. By conditioning on the de Finetti directing measure, we show that the deviation of any function with bounded-difference constants $c_1, \dots, c_n$ decomposes into a conditional sampling fluctuation and a latent mixture fluctuation. When this latent mixture is $\sigma_{\mathrm{mix}}^2$-subgaussian, we establish a concentration inequality with an effective variance proxy of $\frac{1}{4}\sum_i c_i^2 + \sigma_{\mathrm{mix}}^2$. Crucially, we demonstrate that for zero-sum linear contrasts, such as the difference between a subsample mean and a full population mean, the latent mixture term cancels exactly. This cancellation yields a tight, mixture-free Hoeffding-type bound that provides a direct de Finetti mechanism for the infinite-extendibility limit of recent finite-exchangeable concentration results. We apply this framework to quantify uncertainty in composite AI benchmarks, such as MMLU, where question items naturally exhibit exchangeable dependence across domains. Our results provide both a domain-stratified hierarchical model for bounding the uncertainty of accuracy scores, and a distribution-free, cost-saving statistical guarantee for accurately estimating full benchmark scores from random subsets.

10.
arXiv (CS.CV) 2026-06-11

BiWM: Advancing Open-Source Interactive Video World Models with Bidirectional Autoregression

Transitioning bidirectional video diffusion models into an autoregressive paradigm improves the interactivity of video world models, but existing causal pipelines need many stages (control fine-tuning, autoregressive training, causal initialization, few-step distillation) and still trail bidirectional models in quality due to error accumulation. Recent world models such as Yume-1.5 and Matrix-Game-3.0 instead adopt a bidirectional autoregressive approach, gaining fidelity and stable long-horizon rollout from self-correcting error propagation, yet open-source frameworks (e.g., minWM) support only causal models. We present BiWM, the first full-stack framework for interactive video world models under the bidirectional autoregressive paradigm, jointly optimizing generation quality and inference speed. From a pretrained video backbone, BiWM injects camera control by fine-tuning, then runs a few-step Distribution Matching Distillation (DMD) stage that turns the backbone into an action/camera-controllable world model: just two training stages instead of four in minWM, converging in a few hundred steps on 8xH200 GPUs. A single recipe spans Wan2.1-1.3B, Wan2.2-5B, HunyuanVideo-1.5-8B, and LTX-2.3-22B, and also supports secondary fine-tuning of existing bidirectional models. BiWM enables real-world camera control where minWM loses controllability, integrates pluggable history compression (FramePack-style and PackForcing-style) for long rollouts, and offers an optional NVFP4 4-bit training/inference pipeline. To counter DMD's mode-seeking degradation, we add GAN and mass-covering forward-KL objectives that preserve scene dynamics. We open-source BiWM for resource-constrained research and high-fidelity environment simulation.

11.
arXiv (CS.CL) 2026-06-15

Trusted Uncertainty in Large Language Models: A Unified Framework for Confidence Calibration and Risk-Controlled Refusal

Deployed language models must decide not only what to answer but also when not to answer. We present UniCR, a unified framework that turns heterogeneous uncertainty evidence including sequence likelihoods, self-consistency dispersion, retrieval compatibility, and tool or verifier feedback into a calibrated probability of correctness and then enforces a user-specified error budget via principled refusal. UniCR learns a lightweight calibration head with temperature scaling and proper scoring, supports API-only models through black-box features, and offers distribution-free guarantees using conformal risk control. For long-form generation, we align confidence with semantic fidelity by supervising on atomic factuality scores derived from retrieved evidence, reducing confident hallucinations while preserving coverage. Experiments on short-form QA, code generation with execution tests, and retrieval-augmented long-form QA show consistent improvements in calibration metrics, lower area under the risk-coverage curve, and higher coverage at fixed risk compared to entropy or logit thresholds, post-hoc calibrators, and end-to-end selective baselines. Analyses reveal that evidence contradiction, semantic dispersion, and tool inconsistency are the dominant drivers of abstention, yielding informative user-facing refusal messages. The result is a portable recipe of evidence fusion to calibrated probability to risk-controlled decision that improves trustworthiness without fine-tuning the base model and remains valid under distribution shift.

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

The ASE-LSE Disagreement Landscape: An End-to-End Characterisation of Extremes and Structural Drivers

arXiv:2605.22346v3 Announce Type: replace-cross Abstract: Two of the most widely used methods for analysing graph data, Adjacency Spectral Embedding and Laplacian Spectral Embedding, often produce different results when applied to the same graph. Yet the structural reasons behind this disagreement remain incompletely understood. This paper provides an end-to-end account of ASE-LSE latent subspace disagreement. We first prove that the two methods produce identical latent subspaces for every embedding dimension whenever the Laplacian is a scalar multiple of the adjacency matrix, and show that this scalar relationship holds if and only if the graph is either regular or bipartite biregular. This anchor result identifies a sufficient condition for perfect agreement that pins down the floor of the disagreement spectrum and supplies the baseline for the perturbation analysis. We then prove that no maximal-disagreement graph or family of graphs exists: the disagreement is always strictly below its theoretical ceiling, and we exhibit a witness family demonstrating that no finite maximum is attainable, so the disagreement landscape has no maximiser. With both endpoints established, we derive a Regularity Departure Bound whose two terms isolate degree heterogeneity and eigengap as the primary structural factors influencing disagreement in the middle regime. Empirical validation across thousands of simulated graphs confirms the mechanisms predicted by the bound: heterogeneity pushes disagreement up, eigengap suppresses it, and their joint ratio emerges as a unified predictor of ASE-LSE disagreement, suggesting when the two embeddings can be treated as interchangeable and when they cannot.

13.
arXiv (CS.CV) 2026-06-12

OccAny: Generalized Unconstrained Urban 3D Occupancy

Relying on in-domain annotations and precise sensor-rig priors, existing 3D occupancy prediction methods are limited in both scalability and out-of-domain generalization. While recent visual geometry foundation models exhibit strong generalization capabilities, they were mainly designed for general purposes and lack one or more key ingredients required for urban occupancy prediction, namely metric prediction, geometry completion in cluttered scenes and adaptation to urban scenarios. We address this gap and present OccAny, the first unconstrained urban 3D occupancy model capable of operating on out-of-domain uncalibrated scenes to predict and complete metric occupancy coupled with segmentation features. OccAny is versatile and can predict occupancy from sequential, monocular, or surround-view images. Our contributions are three-fold: (i) we propose the first generalized 3D occupancy framework with (ii) Segmentation Forcing that improves occupancy quality while enabling mask-level prediction, and (iii) a Novel View Rendering pipeline that infers novel-view geometry to enable test-time view augmentation for geometry completion. Extensive experiments demonstrate that OccAny outperforms all visual geometry baselines on 3D occupancy prediction task, while remaining competitive with in-domain self-supervised methods across three input settings on two established urban occupancy prediction datasets. Our code is available at https://github.com/valeoai/OccAny .

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

MVOFormer: Flow-Semantic Transformer for Robust Monocular Visual Odometry

Monocular visual odometry (MVO) is foundational to autonomous navigation and robotic localization. However, existing learning-based MVO approaches often struggle with either a lack of interpretable, complementary features or overly complex multi-stage architectures. These limitations inherently restrict their robustness and cross-domain generalization. In this work, we propose MVOFormer, a novel transformer framework for robust monocular visual odometry. Our architecture features a Flow-Semantic Dual Branch Encoder that synergizes dense geometric motion cues with object-centric semantic priors, explicitly distinguishing static structures from dynamic distractors. These representations are then fused by an Iterative Multimodal Decoder, enabling coarse-to-fine pose refinement while dynamically suppressing attention on unreliable regions. Extensive evaluations demonstrate that, without any target-domain fine-tuning, MVOFormer achieves superior zero-shot generalization and robustness, significantly outperforming prior learning-based frame-to-frame methods across diverse benchmarks including TartanAir, KITTI, TUM-RGBD, and ETH3D-SLAM.

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

Diversity-Driven Offline Multi-Objective Optimization via Nested Pareto Set Learning

arXiv:2606.15115v1 Announce Type: new Abstract: Multi-objective optimization (MOO) has emerged as a powerful approach to solving complex optimization problems involving multiple objectives. In many practical scenarios, function evaluations are unavailable or prohibitively expensive, necessitating optimization solely based on a fixed offline dataset. In this setting, known as offline MOO, the goal is to find out the Pareto set without access to the true objective functions. This setting suffers from the out-of-distribution (OOD) issue, where the surrogate model is not accurate for unseen designs. Due to the OOD issue, surrogate errors may cause the optimizer to select solutions that do not lie on the true Pareto front and are biased toward its extremes. To address this, this paper proposes Diversity-driven Offline Multi-Objective Optimization (DOMOO), which aims to find out a diverse and high-quality set of solutions. First, DOMOO incorporates an accumulative risk control module that estimates the potential risk of candidate solutions and alleviates the OOD issue between the training data and the generated solutions. In addition, a nested Pareto set learning (PSL) strategy is proposed to jointly learn preference and PSL parameters, then optimize them, enabling adaptation to diverse Pareto front geometries. To further enhance solution quality, we design a diversity-driven selection strategy that extracts a representative and well-distributed set of final solutions. To achieve this diversity-driven selection strategy, we propose $IGD_offline$, a tailored indicator for the offline setting that considers both diversity and convergence, and avoids the bias of hypervolume indicator. Extensive experiments on synthetic and real-world benchmarks show that DOMOO achieves the best average rank across tasks in both convergence and diversity among the compared methods.

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

Functional Gradient Descent with Adaptive Representations

arXiv:2606.16926v1 Announce Type: cross Abstract: Functional optimization problems are typically solved by optimizing the parameters of a fixed representation, such as a neural network, resulting in highly nonconvex losses that complicate both training and theoretical analysis. An interesting alternative is functional gradient descent (FGD), that is, gradient descent directly in function space, which benefits from strong convergence results and admits a clean theory. However, FGD is difficult to implement in practice because functional gradients are infinite-dimensional, and thus cannot be fully computed nor stored in memory. Existing implementations therefore rely on fixed approximations, which introduce approximation error. We propose a new, theoretically-grounded FGD algorithm that adapts the representation of the functional gradients over the course of optimization. By explicitly incorporating this approximation into the analysis, we establish convergence to a stationary point (for smooth losses) and to a global minimizer (under smoothness + a Polyak-Lojasiewicz-type condition) regardless of our approximations. To the best of our knowledge, this is the first implementable FGD method with such guarantees in a general setting. We demonstrate the effectiveness of our method on regression, numerical solution of PDEs, and modern computer vision. Across settings, our method consistently outperforms both FGD with fixed approximations and neural network baselines in efficiency and accuracy.

17.
arXiv (quant-ph) 2026-06-16

Rigorous extension of semilocal collinear functionals to noncollinear DFT using $SU(2)$ rotations

arXiv:2605.31203v2 Announce Type: replace-cross Abstract: In the presence of spin-orbit coupling and in geometrically frustrated materials, a noncollinear treatment the magnetization density is essential. However, in density functional theory most exchange–correlation functional approximations were originally developed for locally collinear magnetization. Many practical approaches to noncollinear DFT have emerged over the past decade. However, a first-principles connection between widely used semilocal collinear functionals and their noncollinear generalizations remains lacking. In this work, a locally exact relation between collinear and noncollinear exchange–correlation functionals is derived at the level of gradient expansions within a $u(2)$ matrix representation of the energy functional. Within this framework, collinear semilocal variables naturally acquire distinct dependencies on transverse and longitudinal magnetization gradient components. The widely used Scalmani–Frisch scheme emerges as a first-order approximation. The transformation of collinear functional derivatives to noncollinear space is implemented through numerically robust $SU(2)$ rotations. A consistent description of local magnetic torques is demonstrated for the prototypical spin-frustrated Cr$_3$ cluster. The approach further extends to fully nonlocal functionals and provides a direct route towards numerically stable relativistic response calculations. The influence on magnetic properties in presence of spin-orbit coupling is illustrated through calculations of hyperfine couplings in the high-spin ground states of uranium and the uranium ion.

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

Null-Space Diffusion Distillation Unlocks Speed, Fidelity and Realism in Lensless Imaging

Lensless imaging reconstructs scenes from highly multiplexed measurements, resulting in a severely ill-posed inverse problem. In this work, we identify a fundamental trade-off between measurement consistency, perceptual quality, and inference speed across lensless reconstruction paradigms. Traditional methods favor consistency but produce perceptually degraded results, supervised approaches achieve high-quality reconstructions with fast inference but may violate physical constraints, and diffusion-prior methods achieve high perceptual quality and consistency–particularly when structured constraints such as range-null decomposition are used–but remain slow due to iterative sampling. Motivated by this observation, we propose Null-Space Diffusion Distillation (NSDD), a single-pass reconstruction model that distills structured diffusion-prior inference into an efficient feed-forward network. NSDD learns to produce high-quality reconstructions that preserve measurement consistency while avoiding costly iterative sampling. Experimental results demonstrate that NSDD achieves perceptual quality and consistency competitive with diffusion-prior methods, while providing significantly faster inference and offering a favorable balance across all three objectives. Furthermore, ablation experiments show that distilling the range–null decomposition improves reconstruction quality and robustness over unstructured full-reconstruction distillation, including on unseen real scenes. These results highlight the potential of structure-aware distillation for efficient lensless imaging. Code is available at github.com/JRCSAVSN/NullSpaceDiffusionDistillation.

19.
arXiv (CS.CL) 2026-06-15

Right or Wrong, Models Comply: Directional Blindness in LLM Moral Judgment

As language models take integrated roles across many domains, the response of LLMs to user pushback becomes a critical alignment property. Yet many existing evaluations treat compliance as unidirectional, measuring whether models resist pressure but not whether they resist it selectively. We introduce Compliance Asymmetry (A = BCR/HCR), a bidirectional diagnostic that compares beneficial output change under helpful nudges with harmful change under misleading nudges. Across 9 models and 972,000 nudge-condition responses, we find that this selectivity differs in factual and moral judgments: models follow helpful nudges more than harmful ones on factual questions (A = 1.58), but follow both directions at nearly identical rates on moral questions (A = 1.04). This phenomenon persists across model families, capability levels, and nudging types. Interestingly, we also find that chain-of-thought prompting amplifies helpful and harmful compliance together, while identity-based prompting suppresses both by nearly identical margins. These results identify direction-blind moral compliance as a distinct failure mode in current LLMs and suggest that alignment should target directionally calibrated updating rather than lower compliance alone.

20.
arXiv (CS.AI) 2026-06-16

Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

arXiv:2603.15952v2 Announce Type: replace Abstract: Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues – where ML approaches fail – achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.

21.
arXiv (CS.LG) 2026-06-19

Insulin4RL: Real-Time Insulin Management in the Intensive Care Unit for Offline Reinforcement Learning

arXiv:2606.19481v1 Announce Type: new Abstract: Offline reinforcement learning (ORL) offers the potential to improve the quality of clinical decision-making using historical electronic health record (EHR) data. Current training and evaluative practices in this field rely heavily on EHR datasets that have been temporally discretised into fixed, regular time intervals. Discretisation creates fictional representations of complex clinical scenarios and compromises the generalisability of retrospective model evaluations. In this paper, we introduce Insulin4RL, a healthcare ORL dataset featuring naturally irregular inputs and actions from real clinical trajectories. Derived from MIMIC-IV, Insulin4RL comprises over 375,000 labelled decisions across 12,209 patients requiring insulin infusion titration in the Intensive Care Unit. The dataset can thus be used for research into ORL model performance under realistic clinical sampling assumptions. We provide a description of the dataset's structure and characteristics, baseline performance metrics using model-free offline reinforcement learning, and a standardised evaluation protocol using fitted Q-evaluation. We conclude with suggested areas for future research that could be addressed using this resource.

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

VERITAS: Verifier-Guided Proof Search for Zero-Shot Formal Theorem Proving

arXiv:2606.19399v1 Announce Type: cross Abstract: LLM-based formal provers often collapse rich verifier signals (syntax errors, type mismatches, partial goal progress) into a binary pass/fail bit. We present VERITAS, a zero-shot framework that routes every verifier signal back into proof search through a two-phase protocol: Best-of-N sampling first, then a critic-guided MCTS pass that ingests Phase 1 failures as explicit negative examples. The protocol preserves every theorem solved by its own Phase 1 sweep, so Phase 2's additional solves are attributable to feedback-driven exploration. VERITAS reaches 40.6% on miniF2F (vs. an independently run Best-of-5 at 36.9%, Portfolio 26.2%) and 7.3% on VERITAS-CombiBench, a 55-theorem combinatorics benchmark we release on which Best-of-5 (1.8%) falls below Portfolio (3.6%), exposing that unguided sampling hurts when correct lemma names must be recovered iteratively from verifier feedback. Artifacts are available on GitHub.

23.
arXiv (CS.LG) 2026-06-17

Another Look at Log-PCA for Probability Measures: A Dynamical Formulation and Statistical Convergence

arXiv:2606.17196v1 Announce Type: cross Abstract: This paper is concerned with learning principal variations of random probability measures on $\mathbb{R}^m$ under the Wasserstein geometry. We introduce a new dynamical formulation to interpret the log-PCA, a linearized principal geodesic analysis, as a variational approach. Our differentiable version, termed as the Wasserstein Tangential PCA (WT-PCA), captures the local principal modes of geodesic variations of a (weighted) probability measure on the Wasserstein space via its covariance operator at barycenter. Based on the dynamical perspective and leveraging parallel transport structure of the optimal transport problems, we derive a general statistical convergence rate of the empirical WT-PCA when estimated from data in terms of the 2-Wasserstein distance between the population and empirical barycenter reference measures.

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

Broadcast Product: Redefining Shape-aligned Element-wise Multiplication and Beyond

arXiv:2409.17502v2 Announce Type: replace Abstract: Broadcast operations are widely used in scientific computing libraries, yet their mathematical formulation is often implicit and inconsistently represented in machine learning literature. This problem frequently leads to invalid equations when element-wise products are written despite mismatched tensor shapes. In this paper, we formalize such operations by introducing the broadcast product $\boxdot$, which explicitly extends the Hadamard product through shape-aligned element duplication. We provide a rigorous definition of the broadcast product, analyze its algebraic properties, and show how it can be expressed using standard linear algebra. Building on this framework, we formulate least-squares problems and sketch a proof-of-concept broadcast decomposition. As a preliminary illustration, we show that the formalism enables a new family of decompositions with distinct structural properties from conventional tensor decompositions. This work establishes a mathematical foundation for broadcast-aware tensor operations, connecting practical implementations with rigorous tensor analysis.

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

Augmenting Game AI with Deep Reinforcement Learning

arXiv:2606.20210v1 Announce Type: new Abstract: Immersion in video games depends not only on graphics, audio, and game mechanics, but also on the quality of in-game characters. Producing believable characters, or game AI, remains a significant challenge as behavioral complexity is hard to capture with hand-coded systems. Game AI is a source of immersion and engagement; however, the limitations stemming from the challenges of creating game AI often lead to frustration and the breaking of the illusion of realism within the game. The introduction of machine learning models opens the door to creating more believable, authentic, and relatable characters in games. The promise is that they either learn from interacting with the game, or from player data, to develop true human-like behavior. In this paper, we envision more applications of reinforcement learning for game AI in the future. For this to materialize, current research limitations are prohibitive to broad deployment across game genres. Therefore, we propose a framework for training reinforcement learning models with a set of requirements in mind that are suited towards game AI and game development. We present examples of games with reinforcement learning-augmented game AI and describe the practicalities of deploying player-facing machine learning agents in modern games. Furthermore, we identify bottlenecks and hard problems in these areas, which we believe offer promising research directions to accelerate the adoption of machine learning in game AI for the video game industry.