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01.
arXiv (CS.LG) 2026-06-24

Real vs. Complex Spectral Bases for Neural Operators: The Role of Green's Function Alignment

arXiv:2606.24851v1 Announce Type: new Abstract: Fourier Neural Operators (FNO) learn solution operators of partial differential equations by parameterizing global convolutions in the complex Fourier domain. For real-valued PDE solutions, the complex FFT carries representational redundancy through conjugate symmetry. We introduce the Hartley Neural Operator (HNO), the exact real-valued mirror of FNO: it replaces the FFT with the purely real Discrete Hartley Transform and learns a single real multiplier per retained spectral mode, with no complex arithmetic. Because the real Hartley spectrum is not halved by conjugate symmetry, HNO retains twice as many frequency corners as FNO but one real weight where FNO carries a complex pair, so the two operators are iso-parametric at equal width and differ only in spectral basis. Our central thesis is that the best basis is a property of the operator. Self-adjoint elliptic operators (Poisson, biharmonic) have real, symmetric Green's functions that the real Hartley multiplier diagonalizes exactly, and HNO is favored there. Time-dependent operators carry phase, from oscillation in the wave equation to transport in advection, Burgers, and Navier-Stokes, which a real diagonal multiplier cannot represent, so FNO is favored there, and increasingly so with the operator's phase content, leaving the phaseless heat equation as the borderline case. Training both operators identically and benchmarking across PDE classes, initial-condition families, and boundary conditions, we find an elliptic-versus-time-dependent split that is monotone in operator phase content and matches the Green's-function theory we develop. Rather than a universal winner, our findings give a predictive rule: match the spectral basis to the symmetry of the solution operator.

02.
arXiv (CS.AI) 2026-06-18

NAVI-Orbital: First In-Orbit Demonstration of a Zero-Shot Vision-Language Model for Autonomous Earth Observation

arXiv:2606.18271v1 Announce Type: new Abstract: As Earth Observation data generation outpaces downlink bandwidth and human-in-the-loop processing, a widening gap has emerged between onboard collection and actionable ground intelligence. This paper presents NAVI-Orbital, a software system deployed on a Low Earth Orbit (LEO) spacecraft. On April 16, 2026, NAVI-Orbital achieved what is, to the authors' knowledge, the first in-orbit demonstration of a vision-language model performing autonomous multi-modal inference entirely onboard. NAVI-Orbital uses a local vision-language model (Gemma 3) to classify each captured scene, produce a text description of its content and the relationships between its features, and respond to operator follow-up via natural-language dialogue. The system is re-tasked through plain-English prompts in place of conventional command sequences, and is orchestrated by a graph-based state machine (LangGraph) coordinating dedicated agents for detection and dialogue. Results across ground benchmarking (88.16% accuracy on the 7,960-image curated AID benchmark), Flatsat validation, and live in-orbit captures of newly acquired, previously unseen Earth imagery (including uncorrected YAM-9 imagery, processed onboard with hardware-accelerated GPU inference and no fine-tuning for the flight instrument) demonstrate the feasibility of running foundation models on satellite-class edge computers to invert the conventional acquire-then-downlink-everything bandwidth profile through semantic compression of Earth observations in-orbit.

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

The Perceived Fragility of Explanations in Audio Models: Manipulation of Attribution with Unchanged Predictions

arXiv:2606.14466v1 Announce Type: cross Abstract: This paper investigates the fragility of post-hoc explanation methods in audio deepfake detection. While previous work on explanation manipulation focused on images using standard $L_p$ metrics, we introduce a psychoacoustic framework that optimizes inaudible perturbations to decouple model attributions from final classifications. We evaluate this vulnerability across state-of-the-art architectures under strict prediction-preserving constraints. By evaluating the manipulation cost through domain-specific perceptual audio quality metrics alongside explanation alignment criteria, our framework demonstrates that an adversary can systematically distort automated explanation heatmaps while preserving the predicted deepfake label. Full code available at: https://github.com/cncPomper/Audio-XAI

04.
arXiv (CS.LG) 2026-06-24

Exact Schur-Sylvester Dimensionality Reductions for Non-Smooth Stochastic Complexity and Manifold Sampling

arXiv:2606.23867v1 Announce Type: new Abstract: The exact computation of the Normalized Maximum Likelihood (NML) codelength for regular non-smooth estimators (e.g., Lasso) has been historically limited by the cubic scaling walls of manifold-constrained projection and volume integration. At each step of the geometric Propose-and-Project Metropolis–Hastings (PPMH) sampler, evaluating the projection operator requires inverting an $(N+k) \times (N+k)$ generalized KKT matrix, while calculating the volume factor requires the determinant of an $(N-k) \times (N-k)$ Gram matrix. This paper presents an exact, mathematically equivalent formulation that bypasses both bottlenecks by utilizing the block Schur complement and Sylvester's determinant identity. We prove that the computational complexity of both operations collapses from $\mathcal{O}(N^3)$ to $\mathcal{O}(k^3 + N^2 k)$ per step. We generalize this reduction to Sparse Support Vector Machines (SVMs), Elastic Net, and Group Lasso. Finally, we provide a rigorous numerical stability analysis and evaluate the sampler's efficiency using the Effective Sample Size (ESS) per second. Our empirical benchmarks on high-dimensional datasets confirm a constant speedup exceeding $14{,}100\times$ while maintaining double-precision numerical equivalence, rendering exact non-smooth NML estimation highly tractable for large-scale statistical inference.

05.
arXiv (CS.LG) 2026-06-19

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

06.
medRxiv (Medicine) 2026-06-15

Evaluation of AI-Generated Synthetic Data for Clinical Research in Secondary Cardiovascular Prevention among Dyslipidemia Patients

Background: Access to high-quality clinical data is essential for advancing medical research and developing effective medical statistical and Artificial Intelligence models. However, privacy regulations and logistical barriers often hinder timely access to real-world data. Synthetic data offer a promising solution, preserving the statistical characteristics of original datasets while protecting patient privacy. Objectives: This study investigates the use of synthetic data for secondary cardiovascular prevention in patients with dyslipidemia, using two real-world datasets from Centro Cardiologico Monzino. Methods: Given the high dimensionality and limited sample size of the datasets, we employed a custom generative framework based on Large Language Models (LLMs). Pre-trained LLMs were fine-tuned on original clinical records to synthesize tabular data replicating source-data distributions. Fine-tuning was performed within the Centro Cardiologico Monzino's secure infrastructure to ensure data sovereignty. We evaluate clinical utility and privacy using fidelity and privacy metrics, identifying the optimal generative model and benchmarking against traditional anonymization methods. Results: Synthetic data achieved a superior trade-off than classically anonymized datasets. Real and synthetic datasets showed strong agreement, with significant distributional differences limited to few variables. Models trained on synthetic data replicated key associations from the original dataset, including therapy modification and creatine phosphokinase as predictors of SAMS, and pharmacological intensity as the main driver of LDL-C reduction. Conclusions: Results support the feasibility of using synthetic data as a proxy for real-world datasets in exploratory analyses and model development. Despite slight attenuation of some effect sizes, preserved clinical relationships reinforce the validity of synthetic data in medical research.

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

Pushing the Boundaries of Natural Reasoning: Interleaved Bonus from Formal-Logic Verification

arXiv:2601.22642v2 Announce Type: replace Abstract: Large Language Models (LLMs) show remarkable capabilities, yet their stochastic next-token prediction creates logical inconsistencies and reward hacking that formal symbolic systems avoid. To bridge this gap, we introduce a formal logic verification-guided framework that dynamically interleaves formal symbolic verification with the natural language generation process, providing real-time feedback to detect and rectify errors as they occur. Distinguished from previous neuro-symbolic methods limited by passive post-hoc validation, our approach actively penalizes intermediate fallacies during the reasoning chain. We operationalize this framework via a novel two-stage training pipeline that synergizes formal logic verification-guided supervised fine-tuning and policy optimization. Extensive evaluation on six benchmarks spanning mathematical, logical, and general reasoning demonstrates that our 7B and 14B models outperform state-of-the-art baselines by average margins of 10.4% and 14.2%, respectively. These results validate that formal verification can serve as a scalable mechanism to significantly push the performance boundaries of advanced LLM reasoning.

08.
arXiv (CS.LG) 2026-06-24

Closing the Loop: Formally Verified Law as a Reward Signal for Self-Improving Legal AI

arXiv:2606.23913v1 Announce Type: new Abstract: This article develops an architecture that creates a formally verifiable reward signal to train legal AI, adapting the LLM proposes, verifier disposes paradigm from mathematical AI to the distinctive demands of law. We present an architecture comprising LLM-driven autoformalization into a formal legal calculus extending Catala, a verification kernel, and explanation generation grounded in formal proof traces. For the computational components of law, the architecture provides provable correctness. For open-textured legal analysis, it provides structural guarantees: every required stage of the legal argument is addressed, argumentation is exercised at the correct stages and not omitted, and the deductive links between steps are valid. We demonstrate the architecture on procedural deadline calculations in German law, Commerce Clause analysis in U.S. constitutional law, and cross-jurisdictional sanction proportionality. We further show that the same architecture has a structural advantage for legal AI training: a deterministic external verifier supplies verifiable outcomes for legal problems and thereby closes the traditional reinforcement-learning loop gap in law.

09.
arXiv (quant-ph) 2026-06-24

Syndrome aware mitigation of logical errors

arXiv:2512.23810v2 Announce Type: replace Abstract: Broad applications of quantum computers will require error correction (EC). However, hardware roadmaps indicate that physical qubit numbers will remain limited in the foreseeable future, leading to residual logical errors that constrain the size and accuracy of achievable computations. Recent work suggested logical error mitigation (LEM), which applies known error mitigation (EM) methods to logical errors, eliminating their effect at the cost of a runtime overhead. We introduce syndrome-aware logical error mitigation (SALEM), which mitigates logical errors conditioned on the error syndromes measured during error correction. The runtime overhead of SALEM is exponentially lower than that of LEM schemes which do not make use of syndrome data, enabling substantially larger circuit volumes that can be executed accurately. Compared to the routinely used combination of error correction and syndrome rejection (post-selection), SALEM increases the size of reliably executable computations by orders of magnitude. In the practical setting where space and time overheads are fixed and error reduction methods are compared by their resulting estimation errors, we observe a surprising phenomenon: SALEM, which tightly combines EC with EM, can outperform physical EM even above the standard fault-tolerance (pseudo) threshold. Thus, SALEM can make use of EC in regimes of physical error rates where EC is commonly deemed useless.

10.
arXiv (quant-ph) 2026-06-16

Diagonal-Budgeted Trotterization for Efficient Quantum Hamiltonian Simulation

arXiv:2606.16959v1 Announce Type: new Abstract: Efficient classical simulation of quantum Hamiltonian dynamics is often bottlenecked by exponential state growth and the overhead of generic sparse linear algebra. We introduce diagonal-budgeted Trotterization, a structure-aware strategy that decomposes Hamiltonians into factors preserving diagonal sparsity while tightly controlling fidelity loss. Our implementation, HamSim, utilizes a compact diagonal-sparse data layout and specialized C++/CUDA kernels to bypass the overheads of generic formats like CSR. By leveraging SIMD vectorization, multithreading, and GPU acceleration, HamSim achieves high performance across heterogeneous architectures. Benchmarks on the HamLib suite show that HamSim significantly outperforms Qiskit-Aer. On CPUs, HamSim attains speedups of $182$–$1,269\times$ on optimization instances (TSP, MaxCut) and $4.8$–$841\times$ on physical models (TFIM, Heisenberg). On GPUs, it achieves up to $178\times$ speedup for $12$–$16$ qubit problems. Unlike traditional Trotterization, HamSim maintains near-perfect fidelity without requiring exponential steps. This demonstrates that diagonal-aware numerical kernels provide a scalable foundation for high-fidelity classical Hamiltonian simulation.

11.
arXiv (quant-ph) 2026-06-17

A matching decomposition algorithm for simulating quantum walk Hamiltonians

arXiv:2601.11418v3 Announce Type: replace Abstract: In this work, we present a new algorithm for generating quantum circuits that efficiently implement continuous time quantum walks on arbitrary simple sparse graphs. The algorithm, called matching decomposition, works by decomposing a continuous-time quantum walk Hamiltonian into a collection of exactly implementable Hamiltonians corresponding to matchings in the underlying graph followed by a novel graph compression algorithm that merges edges in the graph. We develop a greedy matching heuristic and a compression-aware matching heuristic, both of which can be used in the quantum circuit algorithm. Lastly, we convert the walks to a circuit and Trotterize over these components. The dynamics of the walker on each edge in the matching can be implemented in the circuit model as sequences of CX and CRx gates. We do not use Pauli decomposition when implementing walks along each matching. Furthermore, we compare greedy (compression-aware) matching decomposition to a standard Pauli-based simulation pipeline and find that greedy (compression-aware) matching decomposition consistently yields substantial resource reductions, requiring up to 43$\%$ (70\%) fewer controlled gates and up to 54$\%$ (75\%) shallower circuits than Pauli decomposition across multiple graph families. Finally, we also present examples and theoretical results for when matching decomposition can exactly simulate a continuous-time quantum walk on a graph.

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

Weight-Space Geometry of Offline Reasoning Training

arXiv:2606.23740v1 Announce Type: cross Abstract: Offline reinforcement-learning losses (RFT, RIFT, DFT, Offline GRPO, DPO) are widely used to distill reasoning from large teachers into smaller students, and are typically compared on downstream accuracy alone. We ask whether they are mechanistically distinct or converge to a similar weight update. Training six methods (SFT, RFT, DFT, RIFT, Offline GRPO, DPO) on identical math rollouts from a single base model (Qwen3-4B) with attention-only LoRA, we analyze the resulting deltas via cosine similarity, principal-angle subspace analysis, linear mode connectivity, and CKA. We observe: (i) SFT, RFT, and RIFT have nearly colinear weight deltas (cosine >= 0.97, top-1 principal angle ~7 deg median over 144 modules) and comparable GSM8K accuracy (87-88%, n=1319; pairwise McNemar p >= 0.15); (ii) DFT diverges further in direction than any reward-weighted method despite using the same data; (iii) Offline GRPO adds a substantial component orthogonal to the SFT direction (~67% globally, up to ~86% in late layers) while staying in the SFT loss basin; (iv) DPO sits in a near-orthogonal subspace, shows a mode-connectivity barrier, and collapses late-layer CKA to ~0.46. DPO also reaches the highest accuracy in our protocol on both GSM8K (93.5%, McNemar p < 10^-9 vs. each other method) and AIME26 (30.0% vs. 3.3-10.0%); its training uses a 10x smaller learning rate than the others (the standard convention), so the update-norm and accuracy gaps reflect loss-function and optimizer choices jointly, and a learning-rate-matched DPO comparison is left for future work.

13.
arXiv (CS.LG) 2026-06-11

Learning What to Say to Your VLA: Mostly Harmless Vision Language Action Model Steering

arXiv:2606.12299v1 Announce Type: cross Abstract: Vision-Language-Action (VLA) models provide a natural language interface to robot control, but the mapping from language to behavior is often brittle and unintuitive: semantically similar instructions can induce drastically different behaviors, while some capabilities may not be elicitable through prompting alone. As a result, both human instructions and zero-shot language models can fail to reliably steer VLAs toward successful task execution. In this work, we propose a framework that interactively searches for language sequences that improve closed-loop VLA task performance, distills these sequences into a test-time language feedback policy (LFP), and learns an improvement head that predicts when language steering will improve performance. We conformalize this improvement head to prevent harmful steering interventions, where the LFP decreases task performance relative to the original instruction on out-of-distribution scenarios. Crucially, our approach operates on arbitrary frozen pre-trained VLAs, requiring neither access to the original training distribution nor fine-tuning of the underlying model. On seen environments, our conformalized LFP improves base VLA performance by 24.7% in simulation and 65.0% in hardware. On visual and semantic perturbations, our conformalized LFP has strong harmlessness guarantees, and produces recovery behaviors not observed with open-loop prompting.

14.
medRxiv (Medicine) 2026-06-17

Impact of the disposable vape ban in Great Britain: a representative interrupted time-series study 2022-2026

Objective: To examine changes in vaping and smoking trends following the announcement and implementation of the disposable vape ban in Great Britain. Design: Interrupted time-series analysis of representative monthly cross-sectional data from the Smoking Toolkit Study. Setting: Great Britain. Participants: 118,946 adults ([&ge;]16y), including 12,042 young adults (16-24y), surveyed between Jan-2022 and Feb-2026. Main outcome measures: Changes in trends in disposable vape use among vapers, and current vaping and smoking prevalence, using seasonally-adjusted generalised additive models with comparisons against a no-ban counterfactual in which pre-announcement trends continued unchanged. Results: The proportion of vapers mainly using disposable devices began to decline following the announcement of the ban in Jan-2024, with the fall accelerating after implementation in June-2025. By Feb-2026, 5.6% (95%CI 4.6-6.9) of adult vapers and 7.1% (5.1-10.1) of young adult vapers mainly used disposables, compared with 62.0% (53.6-71.8) and 63.6% (52.7-76.7), respectively, under a no-ban counterfactual. Increases in vaping prevalence slowed post-announcement and plateaued post-implementation; by Feb-2026, prevalence was lower than the no-ban counterfactual in adults (13.6% v 18.8%; difference -5.2 percentage points, 95%CI -7.1 to -3.3) and young adults (27.8% v 39.1%; -11.3, -18.6 to -4.1). Declines in smoking prevalence stalled among adults and reversed among young adults post-announcement, before shifting downward again post-implementation; by Feb-2026, smoking prevalence was similar to the no-ban counterfactual in adults (difference +0.9 percentage points, -0.5 to +2.2) but possibly higher in young adults (+3.3, -0.5 to +7.1). Conclusions: The disposable vape ban in Great Britain was associated with substantial changes after both announcement and implementation, including a marked reduction in disposable vape use and a slowing then plateauing of growth in overall vaping prevalence. However, declines in smoking also temporarily slowed–and among young adults, reversed–after the announcement, before downward trends resumed after implementation.

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

Small LLMs: Pruning vs. Training from Scratch

Pruning promises a shortcut to strong small language models. In this work, we examine this promise by pruning Llama-3.1-8B at pruning ratios of 0.5–0.8 with six methods spanning depth, width, and sparse granularities, under two controlled token-matched settings. (1) With the same training token budget, pruned initialization consistently outperforms random initialization. This shows that the parent model provides a strong starting point, although the advantage narrows as the training token budget grows and as the pruning ratio rises, nearly vanishing at the highest pruning ratio we study. (2) When training from scratch is instead given the full token budget consumed by the whole pipeline, pruning at finer granularities still retains an advantage, while coarser structured pruning can be matched or surpassed. This suggests that the parent model transfers knowledge that additional training tokens alone cannot fully recover, but only at fine granularity. Taken together, our results yield a clear recommendation: with a large pretrained model in hand and a limited training token budget, pruning is better than training from scratch; when the training budget is not limited, training from scratch can be competitive for coarser pruning, so a large pretrained parent is not always necessary.

16.
medRxiv (Medicine) 2026-06-23

Novel loci and multi-omics risk models for rheumatoid arthritis through a million-participant genome-wide association meta-analysis

Rheumatoid arthritis (RA) remains incompletely understood, limiting targeted prevention. In this work, genome-wide association study meta-analyses were performed for RA and seropositive RA, comprising approximately one million participants of European ancestry. Eight and six novel genomic risk loci were defined for RA and seropositive RA, and candidate causal genes were identified, highlighting relevant biological pathways, including established immune pathways and estrogen metabolism. Novel disease-specific polygenic risk scores (PRSs) were constructed, enhancing predictive performance over clinical risk factors (incremental C-statistics of 2.7 and 5.1 for RA and seropositive RA, respectively). In parallel, integrating metabolomic data into high-dimensional models enhanced risk stratification over models based on clinical risk factors and genomics, particularly for seropositive RA, where the hazard ratio of the highest decile increased from 4.869 to 5.697. These findings expand the understanding of genetic factors underlying RA and support the value of including PRSs in risk assessment, while suggesting metabolomic integration may further enhance risk stratification, particularly for seropositive RA.

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

Cross-Lingual Learning within Arabic Script for Low-Resource HTR

Handwritten Text Recognition (HTR) with limited labeled data remains a challenging problem, particularly for Arabic-script languages. Although modern sequence-based recognizers perform well in high-resource settings, their accuracy degrades sharply as training data becomes scarce. Arabic-script languages share a common writing system with substantial character overlap, motivating cross-lingual learning as a strategy to mitigate data scarcity. We conduct a controlled line-level study of cross-lingual joint training for Arabic-script HTR under low-resource regimes (number of samples K = 100, 500, 1000 labeled lines) on Arabic (KHATT), Urdu (NUST-UHWR) and Persian (PHTD). CRNN and Vision Transformer-based HTR-VT models are trained on the union of multiple related Arabic-script datasets to mitigate the data scarcity and are evaluated on individual target languages. Both architectures benefit from cross-language training under low-resource conditions. CRNN remains more effective under extremely limited target-language data, whereas the benefits of cross-language training for HTR-VT become less consistent as larger amounts of target-language data become available. On Persian (PHTD), joint training achieves a Character Error Rate (CER) of 9.99 , surpassing previously reported results despite not using the full available training data. On an additional Urdu dataset (UNHD), joint training reduces CER from 17.20 to 14.45.

18.
Nature (Science) 2026-06-15

Daily briefing: Iron-Age human bones were made into tools before interment

Authors:

Newly uncovered bones hint at how Iron Age Britons treated their dead. Plus, AI models have failed to beat human mathematicians at research-level problems and the everyday items that make great scientific tools. Newly uncovered bones hint at how Iron Age Britons treated their dead. Plus, AI models have failed to beat human mathematicians at research-level problems and the everyday items that make great scientific tools.

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

On the Oracle Complexity of Interpolation-Based Gradient Descent

arXiv:2606.19878v1 Announce Type: new Abstract: Recent work on first-order optimizers for empirical risk minimization (ERM) has suggested that smoothness of ERM loss functions in the training data, rather than in the optimization parameters, can be leveraged to improve the oracle complexity of gradient descent (GD) methods. In this paper, we propose an inexact gradient method, piecewise polynomial interpolation-based gradient descent (PPI-GD), which approximates the full gradient in each iteration by querying the first-order oracle at equidistant points in the data domain to construct polynomial interpolants of the resulting gradient samples over appropriately sized patches of the data domain. We analyze the oracle complexity of PPI-GD for strongly convex and non-convex loss functions when the data space dimension is bounded by a polylogarithmic function of the number of training samples, and find it to outperform several GD variants in key regimes when the loss function is sufficiently smooth. Furthermore, our analysis extends several techniques from the error analysis of bicubic spline interpolants to the setting of $d$-variate tensor product polynomial interpolants which may be of independent interest in interpolation analysis.

20.
arXiv (CS.LG) 2026-06-15

Online Convex Optimization with Sublinear Noisy Probes

arXiv:2606.14640v1 Announce Type: new Abstract: We study Online Convex Optimization (OCO) over a convex set $K\subseteq \mathbb R^d$, where in each round $t$ the learner selects $x_t\in K$ and then observes a convex loss $f_t:K\to[0,1]$, with the goal of minimizing regret to the best fixed decision in hindsight. We introduce a unified probing model that generalizes two recent lines of work: sublinear best-expert queries in the experts setting, and pairwise (comparison-based) feedback available every round in OCO. In our framework, the learner has a budget of $k\le T$ pairwise probes; on a probed round it may query two points and learn which one has smaller loss. Our main result shows that even a sublinear and noisy probe budget can provably improve worst-case regret in the full feedback OCO regime. With $k$ $\delta$-noisy pairwise probes, we obtain: $ Reg_T \le O\left(\min\left\{\sqrt{dT\ln T},\; \frac{dT\ln T}{k|1-2\delta|}\right\}\right) $, which is tight (up to logarithmic factors in $T$) across $T$, $k$ and $\delta$. Specifically regarding the noise parameter $\delta \in [0,1]$, the regret guarantee smoothly degrades as the oracle response approaches a coin flip, i.e., $\delta$ is close to $\frac{1}{2}$. When applying the same techniques to a finite $K$ for the prediction with $d$ experts setting, the resulting rates are instead completely tight in all parameters, including $d$. Our analysis gives a streamlined treatment of pairwise probing in OCO by quantifying the benefit of probing via a variance reduction effect, combined with a second-order (variance-based) analysis of Continuous Exponential Weights.

21.
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.

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

Every Act Has Its Price: Compressed Moral Composition in Frontier LLMs

Existing LLM moral benchmarks usually ask which isolated moral act, value, or foundation a model prefers. This is useful but incomplete. Realistic judgments often require a model to combine several moral signals within the same option. We introduce **Moral Trolley Arena**, a two-stage blind ELO benchmark for measuring how LLMs compose moral evidence. The single-scene arena first calibrates individual moral acts from a 229-scenario corpus across five Moral Foundations Theory foundations; the composite arena then combines calibrated acts into two-act moral items over a controlled intensity grid and measures the resulting composite preferences. Across ten frontier models, composite judgments are largely predicted by component act strength, but the relation is consistently compressed rather than simply additive. Models also show non-additive intensity anchoring, bounded foundation-specific residuals after component control, and highly convergent composite preference surfaces across providers. These results suggest that moral audits should measure composition rules for moral evidence, not only rankings over isolated acts.

23.
bioRxiv (Bioinfo) 2026-06-21

OracleScreen-LILRB4: Machine Learning-Guided Discovery of Myeloid Immune Checkpoint Binders Validated in Patient-Derived Cells

The identification of small molecule modulators of immune checkpoint proteins remains a significant challenge in drug discovery due to the flat, featureless nature of protein-protein interaction interfaces and the characteristically low hit rates observed in conventional high-throughput screening campaigns. Here we report OracleScreen-LILRB4, an ensemble machine learning framework trained on quantitative biophysical screening data from two structurally diverse compound libraries (19,800 compounds total) screened against the myeloid immune checkpoint leukocyte immunoglobulin-like receptor B4 (LILRB4/ILT3). By formulating binding prediction as a regression task targeting continuous {Delta}Fnorm values rather than binary hit classifications, OracleScreen-LILRB4 achieved a mean Spearman R of 0.61 and ROC-AUC of 0.86 under scaffold-aware cross-validation. Prospective virtual screening of a 45,760-member compound library and experimental validation of the top 200 predictions yielded a 28.5% hit rate, representing a 15.0-fold enrichment over baseline, with 16 compounds demonstrating nanomolar-affinity LILRB4 (ILT3) engagement. Lead compounds ORS-22 and ORS-14 restored anti-tumor immune activity across patient-derived colorectal cancer and acute myeloid leukemia co-culture systems, reversing SCG2-mediated immunosuppression and recovering cytotoxic T-cell function. These findings establish OracleScreen-LILRB4 as an effective computational framework for accelerating small molecule discovery against non-enzymatic immune checkpoint targets.

24.
arXiv (CS.AI) 2026-06-11

RoboNaldo: Accurate, Stable and Powerful Humanoid Soccer Shooting via Motion-Guided Curriculum Reinforcement Learning

arXiv:2606.11092v2 Announce Type: replace-cross Abstract: Elite humanoid soccer shooting requires whole-body stability, high-impulse whole-body interactions, and accuracy to targets. Motion tracking-driven reinforcement learning (RL) provides stability in whole-body movement coordination, but a fixed reference makes it hard to adapt to varied ball positions and strike timings; in contrast, task reward-driven RL struggles to explore and discover valid kicks from scratch. We therefore introduce RoboNaldo, a three-stage motion-guided curriculum RL framework for high-impulse humanoid interaction. A single human-kick reference is used as a scaffold and progressively shifts optimization towards shooting performance. The curriculum first learns a stable whole-body kicking prior, then adapts the kick to free-kick settings where the ball is stationary at random positions, and finally extends it to moving-ball shooting through a locomotion-command and kick-trigger interface. A high-level heuristic planner controls this interface during training, while alternative high-level controllers can drive the same low-level policy at inference. In simulation, RoboNaldo demonstrates free-kick shot error 48.6% lower and shoot velocity 2.96x than prior work baselines. In real world on a Unitree G1 with onboard perception, RoboNaldo attains 0.73 m and 0.86 m average target shooting error from 3 m away in free-kick and moving-ball cases, accordingly. And the post-contact ball velocity reaches 13.10 m/s, which is 59-71% of reported professional open-play shot speed. Project page: https://opendrivelab.com/RoboNaldo.