arXiv:2607.17910v1 Announce Type: cross
Abstract: Generative artificial intelligence is rapidly transforming materials design by enabling de novo exploration of immense chemical spaces. Yet a large proportion of AI-generated compositions remain implausible, violating established chemical principles, which limits the reliability and interpretability of generative materials design. Here, we introduce a chemical validity operator that recasts heuristic chemical rules as a configurable algorithmic prior for evaluating and guiding generative materials discovery. Built on the open-source SMACT package, a data-informed oxidation-state model exposes tunable thresholds, allowing users to interpolate continuously between permissive and conservative chemical constraints, while supporting both exploratory and conservative materials-design workflows. Benchmarking six state-of-the-art generative models for inorganic crystals shows that most reproduce stoichiometry but under-represent realistic oxidation-state combinations, and that filtering removes compositions reliant on rarely observed oxidation states while preserving low-energy compounds near the convex hull. Beyond screening, the same operator can also serve as a reinforcement-learning reward, steering a latent diffusion model towards chemically grounded compositions. By encoding chemical heuristics and observations, this work establishes a foundation for oxidation-state-aware generative models.
Science Journals
arXiv:2607.17939v1 Announce Type: cross
Abstract: Importance splitting (ISPLIT) evaluates the probabilities of rare events in non-Markovian models. It requires a heuristic importance function (IFUN) that estimates the distance to the target. While including timer evaluations in the IFUN can substantially improve the effectiveness of ISPLIT, the existing time-sensitive IFUNs evaluate simulation states with respect to single sampled timer values. Thus, reaching highly important states requires simultaneously sampling specific combinations of timer values, yielding several unproductive simulation runs. In this paper, we revisit time-sensitive ISPLIT with the goal of steering simulation runs towards important states. First, we study how timer values can be resampled conditioned on the elapsed time. The importance can be evaluated by considering the set of feasible timer values, decoupling importance estimation from timer samples. Second, we exploit the global age of a simulation to identify and prune the executions that can no longer reach the target within the remaining time budget. Together, these ideas lead to a taxonomy of distance metrics clarifying the role of timer bounds, resampling, and the global age. In particular, for models with unbounded timers, we show that time-sensitive IFUNs collapse to ordinary IFUNs under resampling. Experiments demonstrate that the proposed formulations substantially improve the accuracy of ISPLIT estimators.
arXiv:2607.17097v1 Announce Type: new
Abstract: Hand-Object Interaction (HOI) synthesis is a cornerstone for animation production and embodied AI. Despite the strong priors of video foundation models, multi-view consistent HOI synthesis remains challenging due to complex hand motions and occlusions. We present HarmoHOI, a unified diffusion framework that jointly and harmoniously generates synchronized multi-view HOI videos and globally aligned 3D point tracks. Our core insight is that robust multi-view consistency fundamentally requires globally aligned 3D geometry and motion. To this end, we propose a Mixture of Multi-view Diffusion Transformer that co-models RGB videos and 3D point tracks. By representing point tracks as pseudo-videos, we align 3D geometric signals with the 2D latent space of foundation models, thereby minimizing the domain gap and easing adaptation of priors. To further ensure geometry consistency, we introduce Global Motion Aligning Diffusion, which refines coarse point tracks into metric-scale, globally aligned 3D trajectories. HarmoHOI enables on-the-fly co-evolution of 2D appearance and 3D motion during denoising. To overcome the scarcity of multi-view HOI data, we employ a hybrid data curriculum learning strategy that successfully transfers generic priors from single-view data to synchronized multi-view generation. Experimental results show that HarmoHOI achieves state-of-the-art performance in visual quality, motion plausibility, and multi-view geometric consistency. Project page available at https://droliven.github.io/HarmoHOI_project.
arXiv:2607.17029v1 Announce Type: new
Abstract: We study degeneracy guided list compression for greedy graph coloring when graph structure is available before colors are sampled. Our exposure calibrated ordering framework assigns each vertex an independent uniform list according to its backward neighborhood in a color independent order. Its certified instantiation, Profiled Structure Aware Asymmetric Palette Sparsification, or P-SAPST, reverses a minimum degree removal sequence and obtains every backward exposure from the removal profile. For each fixed profile, we characterize the exact local budget required by independent uniform lists under history robust greedy recovery. The profile yields linear list volume on high degree forests and on a core fringe family where reciprocal rank allocation requires Theta(n log^2 n) sampled colors. Exact conflict expectation, concentration, and a dense exposure barrier complete the theoretical description.
The evaluation contains 40,320 runs over SAPBench and two SNAP networks. At the theorem scale, P-SAPST reduces mean list size by 47.6 percent relative to calibrated APST while attaining 99.8 percent observed greedy success. P-SAPST Lite replaces peeling with a degree order and provides a lower latency order choice within the same framework. On stress graphs with 250,000 vertices and up to 1,251,868 edges, Lite obtains a payload ratio of 0.865, while calibrated APST obtains 7.886. On email Enron, the corresponding ratios are 0.193 and 5.814. Compression is strongest on hub dominated and power law graphs and disappears near the dense exposure barrier. The method complements edge oblivious streaming APST by addressing an offline regime in which structural plans can be reused.
arXiv:2607.17590v1 Announce Type: new
Abstract: Recently, Merino and M\"utze (FOCS'23+SICOMP'24) presented an algorithm for computing a Hamilton path on the skeleton of any 0/1-polytope ${\rm conv}(X)$, where $X\subseteq\{0,1\}^n$. The algorithm uses as a black box an algorithm for solving the classical linear optimization problem $\min\{w\cdot x\mid x\in X\}$ for some weight vector $w\in\mathbb{R}^n$. The resulting delay per visited vertex on the Hamilton path is only by a $\log n$ factor larger than the time to solve one instance of the optimization algorithm. In this paper, we make the Hamilton path algorithm simpler and faster. Namely, we obtain an amortized delay that is only by a constant factor larger than the running time of the optimization algorithm, thus removing the $\log n$ factor. As concrete results, this yields improved algorithms for generating bases and independent sets in a matroid, spanning trees, forests, matchings and maximum matchings in a graph, vertex covers, minimum vertex covers, independent sets and maximum independent sets in a bipartite graph, and antichains, maximum antichains and ideals in a poset. All of these listings correspond to Hamilton paths on the corresponding polytopes. Furthermore, we obtain an $\mathcal{O}(t_{\rm LP})$ amortized delay algorithm for the vertex enumeration problem on 0/1-polytopes $\{x\in\mathbb{R}^n\mid Ax\leq b\}$, where $A\in \mathbb{R}^{m\times n}$ and $b\in\mathbb{R}^m$, and $t_{\rm LP}$ is the time needed to solve the linear program $\min\{w\cdot x\mid Ax\leq b\}$. This improves upon the $\mathcal{O}(t_{\rm LP} \log n)$ delay algorithm of Merino and M\"utze, and the previous $\mathcal{O}(t_{\rm LP}\,n)$ delay algorithm of Bussieck and L\"ubbecke from 1998.
arXiv:2607.17799v1 Announce Type: new
Abstract: This study systematically benchmarks different data augmentation setups across YOLO26 model size variants to determine the most effective setup for adenovirus detection in TEM images. The benchmarked setups include NAS, GAS, GMAS and DAS, all evaluated under identical training conditions. The adenovirus dataset, selected from the published TEM virus dataset, was re-annotated by leveraging adenovirus particle positions to generate YOLO-compatible bounding box annotations. The experimental results demonstrated the impact of the benchmarked data augmentation setups on adenovirus detection with YOLO26 and indicated the most effective data augmentation setup.
arXiv:2607.16463v1 Announce Type: cross
Abstract: Fulek defined the $0$-$1$ matrix \[ L_3=\begin{pmatrix} 1&0&0&1&0\\ 0&0&0&0&1\\ 0&1&1&0&0 \end{pmatrix} \] and asked whether $\text{ex}(n,L_3) = O(n)$. We prove that every $r\times s$ $0$-$1$ matrix avoiding $L_3$ has at most $27r+2s$ $1$ entries. Fulek's general lower bound construction has $6n-8$ $1$ entries, so \[ 6n-8\leq \text{ex}(n,L_3)\leq29n \] for $n\geq5$. The same argument applies to an infinite family. If $Q_{a,b,k,\ell}$ is the light three-row matrix with column word $1^a3^k1^b2^\ell$, where $a,b,\ell\geq1$ and $k\geq2$, then \[ \text{ex}(r,s,Q_{a,b,k,\ell}) \leq\bigl(5(k-1)(4b+1)+a+b+\ell-1\bigr)r+2s. \] This verifies a conjecture of Pettie and Tardos on linear light patterns for an infinite family that includes the previously unresolved weight-five pattern $L_3$. The proof assigns matrix entries to edges of a bar $1$-visibility hypergraph, cuts gaps to control the multiplicity of these edges, and charges the cuts to a noncrossing graph on the rows.
arXiv:2607.17954v1 Announce Type: cross
Abstract: Radio maps, which estimate spatial radio-frequency characteristics from spectrum measurements, are essential for applications such as spectrum management and network planning. With the continuous arrival of spectrum measurements, conventional batch processing methods for radio map reconstruction become computationally prohibitive, as they require reprocessing all accumulated measurements for each radio map update. To address this, we propose a memory-based online sparse variational Gaussian process (M-OSVGP) method that efficiently updates radio maps from streaming spectrum measurements. Our method employs sparse variational inference and updates the posterior online by minimizing a hybrid objective that integrates newly received measurements and a memory subset of previous ones to mitigate catastrophic forgetting. To further improve posterior approximation as measurements accumulate over spatially diverse regions, we extend M-OSVGP with a grid-assisted online inducing point selection (GOIPS) algorithm. GOIPS dynamically adapts the number and locations of inducing points based on measurement density and spatial correlation, providing a more informative inducing set while maintaining computational efficiency. Extensive simulations demonstrate the effectiveness of our proposed methods in reconstruction accuracy, computational efficiency, and uncertainty quantification, compared to existing batch and online baselines across various scenarios.
arXiv:2607.18059v1 Announce Type: cross
Abstract: Quantum materials experiments increasingly rely on microwave, electrical, thermal, optical, and structural probes, but these capabilities are typically assembled from custom hardware that limits reproducibility and scalability. Here we show that a commercial 65-nm CMOS process can be repurposed as a passive, foundry-manufacturable characterization platform by functionally partitioning its metal stack into microwave, thermal, and electrical subsystems within a 1 mm2 footprint. The integrated RF architecture enables cryogenic magnetic susceptibility measurements of Fe3GeTe2 heterostructures at 1.75 K without sample-specific fabrication. We further demonstrate NV-center optically detected magnetic resonance (ODMR) with >20% contrast at 4-9 dBm microwave power, reducing power requirements by 20-25 dB relative to conventional antenna-based approaches while maintaining sensitivities of 2-3 uT/sqrt(Hz). We additionally confirm compatibility with in-situ electron-beam imaging, showing no measurable degradation in image quality upon device operation. These results establish a scalable, foundry-manufacturable platform for multimodal quantum sensing and materials characterization.
arXiv:2607.17599v1 Announce Type: new
Abstract: Video spatial reasoning is essential for navigation-oriented perception and long-video question answering, where models must infer spatial relations across long horizons under changing viewpoints. However, existing multimodal large language models (MLLMs) remain largely semantic-centric, and often fail to reliably aggregate consistent spatial evidence from redundant video observations, leading to inefficient or unstable reasoning. To address these issues, we propose ConsiSpace, a geometry-consistency-aware framework for geometry-sensitive video spatial reasoning that turns spatial consistency into both an evidence organization principle and an explicit post-SFT learning signal. We build a geometry-consistent memory (GCM) including implicit evidence tokens and explicit geometric cues, and leverage efficient organization strategies to compactly preserve task-related spatial evidence. Furthermore, we utilize unified consistency self-supervised reinforcement learning (UC-SSRL) after supervised fine-tuning to improve cross-view stability, with answer-, metric-, and topology-consistency rewards. Extensive experiments on three spatial-reasoning benchmarks, VSI-Bench, OSI-Bench, and MMSI-Video-Bench, show consistent gains, improving the average score by 12.6 points over the strongest baselines.
arXiv:2607.17394v1 Announce Type: new
Abstract: People increasingly use chatbots such as ChatGPT for everyday analysis tasks. While chatbots unify many analysis functions (e.g., scripts, visualizations, summaries), long conversations become hard to navigate, making it difficult to revisit prior steps or reuse successful workflows. LLMs now generate high-fidelity GUI code that enables people to create customized analysis tools beyond text. Yet, what new opportunities generative UIs bring to analysis work remain unclear. We interviewed six professionals about analysis with chatbots, analyzed publicly shared LLM-generated GUI tools, and conducted a comparison study (N=12) between a chatbot and TaskArtisan, a technology probe that enables people to create and assemble generative analysis UI widgets for sequential and fan-out composition. We find that GUI improved clarity and visual presentation but also introduced rigidity and additional prompting challenges. We summarize the trade-offs into a provisional design framework (malleability, specification, interoperability) to inform future generative UI in LLM-assisted analysis workflows.
arXiv:2607.18071v1 Announce Type: cross
Abstract: Hubbard-corrected density-functional theory (DFT+$U$) is a popular tool for first-principles modeling of materials with localized $d$ or $f$ electrons, but its on-site corrections tend to over-localize charge and break covalent bonds. Inter-site $+V$ corrections were introduced to counter this and are now widely used, but a formal justification has been lacking. Here we show that -- to first order in $V/U$ -- inter-site corrections are exactly equivalent to on-site DFT+$U$ evaluated on a density-dependent redefinition of the Hubbard projectors, hybridized with those of neighboring sites, providing insight into the explicit mechanism by which $V$ affects covalency. If the projectors are held frozen, as is common practice, the equivalence partially breaks down. Beyond reinterpreting the formalism, these results sharpen the questions of how $V$ should be computed and what the Hubbard subspaces fundamentally are.
arXiv:2607.17964v1 Announce Type: new
Abstract: Fourier-transform infrared (FTIR) spectroscopy is a well-established technique for qualitative and quantitative chemical analysis. Classical FTIR systems rely, however, on direct mid-infrared (mid-IR) scan-based time-domain measurements of coherence functions; thus, the signal-to-noise ratio and measurement speed are constrained by design. In this paper, we demonstrate a scanless quantum FTIR (sQFTIR) technique that exploits principles of metrology with entangled photons to circumvent the limitations inherent to classical FTIR systems. The approach exploits the interferometric nature of the sensing paradigm and relies on frequency-domain measurements performed with a static, low-gain nonlinear interferometer. A robust reconstruction algorithm is used to retrieve time-domain signals and reconstruct respective mid-infrared (mid-IR) spectra (3000$~$cm$^{-1}$ to 2380$~$cm$^{-1}$) from near-IR measurements (approx. 780$~$nm to 820$~$nm). The suggested sQFTIR protocol eliminates the need for optical delay scanning and leverages inherent mapping between the related domains. In the theoretical section, we evaluate the intrinsic signal-to-noise advantage of the proposed method over conventional scan-based time-domain measurements; a difference of 26.8 dB (factor of 21.8) is demonstrated. Building on the enhanced sensitivity of the scheme, we demonstrate rapid sQFTIR-based hyperspectral imaging with a spatial resolution of 12.3$~\mu$m and a spectral resolution down to 8$~$cm$^{-1}$. Hyperspectral mapping of human colon tissue, microplastics, and multilayer polymer samples composed of polypropylene and ethylene vinyl alcohol yield high-quality single-pixel spectra with acquisition times down to 10$~$ms.
arXiv:2607.16938v1 Announce Type: new
Abstract: End-to-end autonomous driving models are now able to navigate complex road scenarios, mapping raw sensor observations directly to observed paths for open-loop evaluation and often effective driving in closed-loop evaluation. Yet the internal logic of these safety-critical systems remains largely opaque, due to the complexity of traffic scenes. We propose a counterfactual ablation framework called Counterfactual Vision Action Analysis (CVAA) that systematically removes individual detected objects from front-camera images using photorealistic generative inpainting to prepare counterfactual sets to evaluate the difference in the model's response. This isolates the causal effect of each object's presence on the model's planning behaviour. Applied to the Alpamayo 1 trajectory predictor across 210 nuScenes driving scenes, we create a dataset Counter -nuScenes, using which we see that vehicles and pedestrians within the model's 'path' dominate causal influence as expected, while traffic lights, as expected, exert disproportionate effect relative to their image footprint. However, we also find cases where the model responds strongly to objects a human driver would consider irrelevant. This brings forth a deeper question: does the model itself view the scene as a sum of individual objects influencing the outcome, or does it encode an entirely different set of internal features that do not correspond to human-legible scene elements? To further understand this, we compare intermediate representations of original and inpainted image pairs using mechanistic interpretability techniques and examine the effect of the removal through the various model layers. Together, these two stages offer a path from behavioral auditing to representational understanding, creating explainable driving systems and solidifying human-AI trust.
arXiv:2607.18128v1 Announce Type: cross
Abstract: Entropy regularization smooths equilibrium policies in time-inconsistent stochastic control. At low temperature, the same Gibbs response can strongly amplify errors in learned rewards and dynamics. We show that the derivative of an exploratory equilibrium is governed by a backward Volterra-parabolic resolvent. Along an aligned positive mode, a lower bound has the same exponential order. A block decomposition identifies the source of the amplification: causal paths contribute powers of 1/tau, whereas a positive feedback cycle can produce exponential growth.
At fixed temperature, a local equilibrium branch is twice differentiable with respect to finite-dimensional model parameters, which yields a function-valued delta method. A bounded uniformly elliptic diffusion realizes this path-cycle distinction in every finite dimension. Closing one positive cycle changes the root-n linear-response boundary from a power law to order 1/log n; along the cyclic Perron mode, right-endpoint discretization is relatively consistent exactly when N tau^2 -> infinity. An affine model also gives an exact nonlinear transition at the Lambert-W temperature beta T / W(beta T sqrt(n)). Numerical calculations illustrate these rates.
arXiv:2607.18196v1 Announce Type: cross
Abstract: Sample-based Quantum Diagonalization (SQD) is a hybrid quantum-classical method that replaces variational optimization with a self-consistent recovery loop over QPU samples. Although SQD is considered robust to noisy samples and imperfect classical inputs, its robustness across practical deployment choices has not been systematically analyzed. As a result, shot budgets, qubit layouts, noise mitigation strategies, and the coupled-cluster singles and doubles (CCSD) amplitudes that initialize the ansatz are often chosen without clear empirical guidance. We analyze SQD robustness on IBM Heron hardware across these dimensions. Structured CCSD-amplitude perturbations, including complete zeroing, produce only modest energy shifts from the clean baseline. Differences across layouts and noise-mitigation settings are large in the first recovery iteration but narrow within a few iterations. Accuracy saturates at moderate shot budgets, while very large budgets slightly worsen recovered energies, likely because working-set selection limits the value of additional samples. These results identify where SQD provides genuine deployment robustness and where its limits remain.
arXiv:2607.17138v1 Announce Type: new
Abstract: Deep neural networks trained on natural images are shown to produce outputs consistent with human observers for brightness illusions. While this phenomenon has been documented across architectures, all evidence, to date, is measured at the output level: restored pixels, decoded trajectories, or classification decisions. Whether these models actually represent illusions internally, and if so where and how, remains unknown. We show that denoising models develop illusion-sensitive representations at specific internal layers, across varied architectures. Specifically, we identify the layers and channels that discriminate illusory from physically matched control regions. We show that the denoising objective is a more important driver of the effect than the architecture. On domain-appropriate stimuli, these activations track a validated psychophysical model of human brightness perception (FLODOG; Spearman $\rho \geq 0.70$) and scale monotonically with parametric illusion strength. Leveraging these findings, we provide causal evidence via channel ablation showing that illusion-sensitive channels specifically and substantially affect the internal signal. Yet injecting these representations into the generation pipeline produces no measurable pixel shift across all tested architectures; we term such representations perceptual phantoms: active in internal processing yet invisible to any output-based evaluation. While related internal-output dissociations have been characterized in language models, this is the first such characterization for perceptual representations in denoising vision models.
arXiv:2607.18190v1 Announce Type: new
Abstract: This paper explores a way to verify that audio has not been maliciously tampered in a specific context: short viral videos taken from news recordings. Rather than trying to detect artifacts of tampering (internal inconsistency), we focus on positively verifying a query against a trusted source such as a news recording (external consistency). We propose a method for cross verifying a short audio query against a reference recording from which it was taken. Our approach is to define two hypotheses (non-tampered vs tampered), calculate the most likely alignment between query and reference for each hypothesis, and then perform a likelihood ratio test on the two alignments. We show that this method is fast to compute, much more robust than using MFCC features with Euclidean distance, and has the key benefit of explainability. Our cross verification approach provides an alternative perspective and complementary tool to existing tampering detection methods.
arXiv:2607.17070v1 Announce Type: new
Abstract: New-user cold-start is a critical bottleneck for e-commerce platforms: predicting user lifetime value (LTV) and conversion rate (CVR) for users with sparse interaction history. Two prior directions -- LLM-based semantic augmentation and learning using privileged information (LUPI) -- each face a key limitation. First, LLM augmentation produces unstructured rationales that are noisy and hard to operationalize in production. Second, naive student-teacher distillation can be brittle due to an information gap between the privileged teacher and the sparse student; moreover, this gap is heterogeneous across users. We propose SemRaD, a Semantic Reasoning-aware Distillation framework addressing both limitations. First, a Structured Semantic Reasoning Pipeline replaces free-form rationales with a structured schema built via a discover-curate-audit workflow, producing per user a Densified Semantic Profile (consumed by the deployed student via a Semantic-Gated Encoder that focuses on the most informative dimensions) and a Hindsight Distillation Target reconciled from pre- and post-conversion reasoning (used only at training). Second, to bridge this gap and handle its heterogeneity, a Hindsight-Aware Distillation Network transfers privileged knowledge via the hindsight target, with Distillation Experts improving transfer under per-user variability. On a large-scale industrial dataset, SemRaD lifts +1.9% LTV (Gini) and +1.0% CVR (AUROC) over a production-grade base; a four-week online A/B at Keeta confirms +1.0% LTV / +0.43% CVR. SemRaD also matches the production system's LTV using only 9% of the training data while improving CVR by 0.8%.
arXiv:2607.17291v1 Announce Type: new
Abstract: Deep research agents increasingly operate over the open web, where relevant records coexist with redundant summaries, outdated reports, and misleading documents. Existing evaluations offer limited insight into whether agents preserve sound evidential standards when an ordinary-looking false document is deliberately seeded into a searchable environment and offers a direct shortcut to a conflicting answer. We introduce DRNOISE, a 100-task benchmark for answer recovery under misleading evidence. Each task has a unique gold answer supported by two corroborating indirect record chains; the paired noisy condition adds one plausible document that states a conflicting answer directly. The benchmark spans ten families of evidence operations. Across agents with strong clean-task performance, this single intervention causes 66-88 percentage-point accuracy drops. Trace analyses identify verification inertia as the dominant failure mode: agents often retrieve truthful records but stop before completing and reconciling the evidence chain, instead deferring to the answer-like document. Generic verification prompts reduce but do not close this gap. The setting is especially relevant to open-web deployment, where plausible falsehoods arrive through ordinary-looking pages rather than explicit attacks. Reliable deep research therefore requires more than retrieval and citation; it requires active reconciliation of direct claims with record-level evidence.
arXiv:2607.17411v1 Announce Type: new
Abstract: Inverse rendering is traditionally solved via differentiable renderers and gradient descent, which requires substantial problem-specific engineering and is prone to getting stuck in local minima due to ambiguities. Derivative-free approaches alleviate engineering requirements, but often heavily depend on a good problem initialization. In this work, we propose Feature-Informed Diffusion Evolution (FIDE), a fully black-box framework that requires no gradients or specific initialization: the renderer is treated as an opaque function whose only requirement is to produce images. Our key insight is feature guiding: rather than reducing each candidate rendering to a scalar loss value, we use a Vision Transformer (ViT) to extract dense visual features from it. We subsequently use these features to train a diffusion-based candidate proposal model, allowing the network to use visual cues to predict parameters that would match the target image. The candidate solutions proposed by this diffusion model are then refined in a closed loop with a CMA evolution strategy, continuously narrowing the proposal region as optimization progresses. We validate across diverse inverse problems from path tracing, vector splines, Voronoi shaders, and robotics, and demonstrate that feature-guiding substantially improves convergence over scalar-loss baselines and reliably escapes local minima where gradient-based methods stall.
arXiv:2607.17978v1 Announce Type: new
Abstract: We present RuNNer 2.0, the "Ruhr University Neural Network energy representation", a highly optimized software suite for training and evaluating high-dimensional neural network potentials (HDNNPs) of the second, third, and fourth generation. Long-range electrostatics and charge equilibration (QEq) for the description of non-local charge transfer in fourth-generation (4G) HDNNPs are accelerated by quasi-linear-scaling plane-wave methods, reducing QEq computational complexity from $\mathcal{O}(N^3)$ to $\mathcal{O}(N\log^2 N)$ such that linear or quasi-linear scaling is achieved across all HDNNP generations. An optimized memory management strategy eliminates the training overhead traditionally associated with long-range interactions, allowing 4G-HDNNPs to be trained with the same efficiency as their local counterparts. Developed in modern Fortran (2003/2008 standards), combined with a hybrid MPI/OpenMP parallelization scheme, RuNNer 2.0 has been designed to run efficiently in any CPU environment, from cost-effective local workstations to massive HPC clusters. Its modular library architecture facilitates straightforward binding to external simulation software; native interfaces to LAMMPS and the Atomic Simulation Environment (ASE) provide full access to all its features, including built-in committee-based uncertainty quantification. The high efficiency and scalability of the RuNNer 2.0 ecosystem are demonstrated through detailed benchmarks.
arXiv:2607.18203v1 Announce Type: new
Abstract: A recent paper [Hazeltine, et al., Phys. Plasmas 33, 072501 (2026)] has questioned whether the standard result, (ultimately) due to Ferraro, that the plasma angular velocity is approximately constant along individual equilibrium magnetic field-lines in a rotating axisymmetric magnetic mirror machine, continues to hold when the rotation becomes sonic or supersonic. In order to resolve this issue, the equilibrium of a rapidly rotating mirror is investigated, starting from first principles, using an ideal two-fluid model with anisotropic pressure. It is found that, as long as the ion gyro-radius is much less than the machine size, and the angular velocity of the plasma is much less than the ion gyro-frequency, the Ferraro result holds good.
arXiv:2607.18209v1 Announce Type: cross
Abstract: This paper considers a multi-environment factor model in which high-dimensional covariates are collected from heterogeneous environments, with auxiliary labels available in a subset of these environments. The joint distribution of the covariates may vary across environments, whereas the latent structure is decomposed into invariant factors with shared loadings and heterogeneous factors with environment-specific loadings. Such a model is motivated by transfer learning and latent factor regression, where one seeks stable low-dimensional representations for both interpretation and robust out-of-sample prediction of the response $Y$. Leveraging the invariance principle, we show that the invariant and heterogeneous factors are disentangled under a minimal structural condition. Based on this, we propose ATLAS, an Auxiliary-label and invariance-guided Transfer via Latent Alignment across heterogeneous environmentS. ATLAS is a unified procedure that leverages the invariance principle to separate aligned invariant and unaligned heterogeneous factors, and further exploits supervision from auxiliary labels to extract prediction-invariant and transferable factors from those unaligned heterogeneous factors. ATLAS yields near-oracle performance for downstream latent factor regression, enables transferable prediction in new environments through the full latent signal when auxiliary labels are available, and reduces to robust invariant-factor-only prediction otherwise. We establish sharp non-asymptotic error bounds for recovering invariant and heterogeneous factors, identifying all the response-invariant factors, and estimating the invariant signal in $Y$.
arXiv:2607.17152v1 Announce Type: new
Abstract: Jailbreak attacks on large language models are usually evaluated by attacker-centric metrics such as attack success rate (ASR), yet an attack that breaks a model is not necessarily useful for improving its safety. We propose a defender-centric view of jailbreak evaluation, where attacks are evaluated by the downstream safety improvements they enable when used as red-teaming data for safety training. Building on this view, we introduce A-MESS (Minimal Effective Attack-Subset Selection), a setting-agnostic framework for attributing and selecting jailbreak attacks from black-box subset utility observations. A-MESS estimates AttackSHAP, a Shapley-based score that attributes marginal utility to individual attacks and selects compact attack subsets under user-specified budgets via greedy or surrogate-based optimization. Across controlled utility landscapes and real LLM safety settings, we find that ASR rankings are weakly aligned with defender-centric utility, that AttackSHAP can be estimated accurately with limited utility queries, and that directly optimizing subsets yields stronger safety utility than attacker-centric or attribution-only selection. These results suggest evaluating jailbreak attacks as resources for improving safety, not only as tools for breaking models.