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Peer-reviewade publikationer — 65145 artiklar

Offline Semantic Guidance for Efficient Vision-Language-Action Policy Distillation
arXiv:2605.16241v1 Announce Type: new Abstract: Billion-parameter Vision-Language-Action (VLA) policies have recently shown impressive performance in robotic manipulation, yet their size and inference cost remain major obstacles for real-time closed-loop control. We introduce \textbf{VLA-AD}, a distillation framework that uses a Vision-Language Model as an offline semantic supervisor to transfer large VLA teachers into lightweight student policies. Instead of relying only on low-level action imitation, VLA-AD augments teacher-provided 7-DoF action targets with high-level semantic guidance, including task phase anchors and multi-frame operating-direction descriptions. These auxiliary signals are used only during training: at test time, the student policy runs independently, with neither the VLA teacher nor the VLM required. We evaluate VLA-AD on three LIBERO benchmark suites. Using OpenVLA-7B as the teacher, our method produces a 158M-parameter student, yielding a $44\times$ reduction in model size while matching the teacher with only a $0.27\%$ average relative gap. The resulting policy runs at 12.5 Hz on an RTX 4090, achieving a $3.28\times$ inference speedup over OpenVLA-7B. We further show that the same semantic distillation pipeline generalizes to a different $\pi_{0.5}$-4B teacher, where the student outperforms the teacher on two suites and remains within $0.53\%$ on \texttt{libero\_goal}. Additional analysis indicates that phase-level supervision and multi-frame directional cues make the student less sensitive to noisy teacher actions, such as erroneous high-frequency gripper changes. Overall, VLA-AD demonstrates that offline semantic guidance from VLMs can substantially improve the efficiency, robustness, and deployability of VLA policy distillation.
A Causally Grounded Taxonomy for Image Degradation Robustness Evaluation
arXiv:2605.15906v1 Announce Type: new Abstract: Image degradations can occur during acquisition, processing, and transmission, altering visual appearance and affecting downstream vision tasks. They are studied in several communities, including synthetic corruption benchmarks for robustness evaluation, perceptual image quality assessment, and physically grounded analyses of imaging systems or real camera failures. Although these areas address closely related phenomena, they often use incompatible grouping schemes and backend specific severity definitions, making results difficult to compare across datasets, degradation sources, and tasks. We propose a causally grounded framework for organizing and interpreting image degradations across these settings. Instead of introducing new degradations or redefining existing benchmarks, we provide an interpretive representation and measurement layer that makes implicit assumptions explicit. Each degradation is described along two orthogonal axes: its dominant causal source in the imaging pipeline (environment, sensor/optics, ISP/renderer/codec, or transfer/system), and its resulting perceptual effect. This dual axis abstraction yields a compact taxonomy spanning algorithmic corruptions, perceptual distortions, and physically motivated imaging artifacts. To address inconsistent severity semantics without changing existing implementations, we introduce a lightweight severity measurement layer. For every degradation and each native severity level of a given backend, we quantify degradation strength using full reference image quality metrics: PSNR, SSIM, and LPIPS. This makes severity observable and comparable across sources while preserving native parameterizations. We demonstrate the framework through COCO Degradation, a taxonomy aligned benchmark for evaluating object detector robustness under diverse imaging conditions.
Generative Long-term User Interest Modeling for Click-Through Rate Prediction
arXiv:2605.15905v1 Announce Type: new Abstract: Modeling long-term user interests with massive historical user behaviors enhances click-through rate (CTR) prediction performance in advertising and recommendation systems. Typically, a two-stage framework is widely adopted, where a general search unit (GSU) first retrieves top-$k$ relevant behaviors towards the target item, and an exact search unit (ESU) generates interest features via tailored attention. However, current target-centered GSU would ignore other latent user interests, leading to incomplete and biased interest features. Additionally, the matching-based retrieval process in GSUs depends on the pairwise similarity score between target item and each historical behavior, which not only becomes time-consuming for online services as user behaviors continue to grow, but also overlooks the interaction information among user behaviors. To combat these problems, we propose a \textbf{Gen}erative \textbf{L}ong-term user \textbf{I}nterest model named GenLI for CTR prediction. GenLI consists of an interest generation module (IGM), a behavior retrieval module (BRM), and an interest fusion module (IFM). The IGM generates multiple interest distributions to indicate different aspects of real-time user interests, which is target-independent and incorporates interaction information among behaviors, ensuring complete and diverse interest features. The BRM selects related behaviors via a simple lookup operation, reducing the time complexity for weighting each behavior to $O(1)$. Finally, the IFM uses delicate gating mechanisms to generate interest features. Based on the generation process, GenLI improves the diversity of user interests and avoids complex matching-based behavioral retrieval, achieving a better balance between accuracy and efficiency for CTR prediction.
Provably avoiding over-optimization in Direct Preference Optimization without knowing the data distribution
arXiv:2602.06239v3 Announce Type: replace Abstract: We introduce PEPO (Pessimistic Ensemble based Preference Optimization), a single-step Direct Preference Optimization (DPO)-like algorithm to mitigate the well-known over-optimization issue in preference learning without requiring the knowledge of the data-generating distribution or learning an explicit reward model. PEPO achieves pessimism via an ensemble of preference-optimized policies trained on disjoint data subsets and then aggregates them through a worst case construction that favors the agreement across models. In the tabular setting, PEPO achieves sample complexity guarantees depending only on a single-policy concentrability coefficient, thus avoiding the all-policy concentrability which affects the guarantees of algorithms prone to over-optimization, such as DPO. The theoretical findings are corroborated by a convincing practical performance, while retaining the simplicity and the practicality of DPO-style training.
Context-aware Entity-Relation Extraction for Threat Intelligence Knowledge Graphs
arXiv:2605.15904v1 Announce Type: new Abstract: Cybersecurity Knowledge Graphs (CKGs) unify diverse Cyber Threat Intelligence (CTI) sources into structured, queryable formats, offering scalable solutions for automating proactive and real-time security responses. Their increasing adoption has significantly enhanced the workflow and decision-making efficiency of security professionals. However, constructing CKGs requires extracting entity-relation triples from unstructured CTI reports, a task hindered by complex report structure, domain-specific language, and semantic ambiguity. As a result, existing pipeline-based approaches often suffer from error propagation, reducing extraction accuracy and limiting generalizability. This paper introduces the Context-aware Threat Intelligence Knowledge Graph (CTiKG) framework, a pipeline architecture designed to accurately extract and classify threat entities and their relationships from CTI reports. CTiKG incorporates hybrid NLP models that leverage SecureBERT+ contextual embeddings and expert knowledge from a domain ontology to reduce misclassifications and mitigate cascading errors. Experiments on the DNRTI-AUG-STIX2 dataset, which comprises 21 entity types aligned with STIX 2.1, demonstrate significant improvements over state-of-the-art baselines, yielding 3-4% gains in NER and up to 8% in RE performance, based on precision, recall, and F1-score. Additional validation on DNRTI and STUCCO benchmarks confirms the framework's robustness and practical applicability. All datasets, including the curated DNRTI-AUG-STIX2, are released on GitHub to foster reproducibility and further research.
OmniVL-Guard: Towards Unified Vision-Language Forgery Detection and Grounding via Balanced RL
arXiv:2602.10687v3 Announce Type: replace Abstract: Existing forgery detection methods are often limited to uni-modal or bi-modal settings, failing to handle the interleaved text, images, and videos prevalent in real-world misinformation. To bridge this gap, this paper targets to develop a unified framework for omnibus vision-language forgery detection and grounding. In this unified setting, the {interplay} between diverse modalities and the dual requirements of simultaneous detection and localization pose a critical ``difficulty bias`` problem: the simpler veracity classification task tends to dominate the gradients, leading to suboptimal performance in fine-grained grounding during multi-task optimization. To address this challenge, we propose \textbf{OmniVL-Guard}, a balanced reinforcement learning framework for omnibus vision-language forgery detection and grounding. Particularly, OmniVL-Guard comprises two core designs: Self-Evolving CoT Generatio and Adaptive Reward Scaling Policy Optimization (ARSPO). {Self-Evolving CoT Generation} synthesizes high-quality reasoning paths, effectively overcoming the cold-start challenge. Building upon this, {Adaptive Reward Scaling Policy Optimization (ARSPO)} dynamically modulates reward scales and task weights, ensuring a balanced joint optimization. Extensive experiments demonstrate that OmniVL-Guard significantly outperforms state-of-the-art methods and exhibits zero-shot robust generalization across out-of-domain scenarios. The dataset and code are publicly available at https://github.com/shen8424/OmniVL-Guard.
Covert Bayesian Quickest Change Detection
arXiv:2605.16140v1 Announce Type: new Abstract: We investigate the problem of covert quickest change detection in a Bayesian and infinite-horizon setting. A legitimate entity seeks to detect a change in the state of a discrete memoryless channel as quickly as possible by actively probing it. Simultaneously, the entity must ensure its probing remains covert from an adversary monitoring the channel for active sensing. We introduce the expected covertness budget (ECB) as an analytically tractable covertness metric that bounds from above the relative entropy between the observation sequences induced by active and passive sensing. Under constraints on both the probability of false alarm (PFA) and the ECB, we establish a second-order asymptotic converse bound on the average detection delay as the PFA constraint approaches zero, for any positive ECB constraint, explicitly quantifying the maximum square-root-order covert sensing gain possible. Furthermore, we propose an achievability scheme utilizing a constant-sensing-probability Shiryaev-type policy and show that it matches the second-order asymptotic converse. We illustrate our result with a numerical example.
BioBlobs: Unsupervised Discovery of Functional Substructures for Protein Function Prediction
arXiv:2510.01632v3 Announce Type: replace-cross Abstract: Protein function is driven by cohesive substructures, such as catalytic triads, binding pockets, and structural motifs, that occupy only a small fraction of a protein's residues. Yet existing pipelines built on protein encoders do not model proteins at the substructure level, leaving the central biological question unanswered: which substructure of a protein is responsible for its function? We introduce BioBlobs, an encoder-agnostic, end-to-end differentiable framework that compresses a protein into a small set of cohesive substructures (blobs) and predicts function from these blobs alone, so that each blob corresponds to a candidate functional region. Across diverse protein function prediction tasks and multiple sequence- and structure-based encoders, BioBlobs matches or exceeds strong baselines while operating on only a small fraction of residues. The discovered blobs adapt their spatial scale to the task, ranging from local catalytic sites to entire structural domains. Trained only on protein-level labels, BioBlobs recovers experimentally annotated catalytic sites in the M-CSA database, demonstrating unsupervised functional substructure discovery and opening a path to large-scale functional site discovery across the unannotated proteome.
Stabilizing Knowledge, Promoting Reasoning: Dual-Token Constraints for RLVR
arXiv:2507.15778v2 Announce Type: replace Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become an effective post-training method for improving the reasoning abilities of Large Language Models (LLMs). However, existing methods mainly apply uniform optimization constraints across all tokens, ignoring their heterogeneous roles. Prior work shows that high-entropy tokens are closely tied to reasoning, while low-entropy tokens primarily encode factual knowledge, and recent approaches attempt to exploit this distinction by isolating token updates via masking or asynchronous training. We argue that such isolation breaks the sequential dependency structure of autoregressive generation, leading to suboptimal learning. To address this, we propose \textbf{Archer}, an entropy-aware RLVR framework with \textbf{dual-token constraints} that preserves joint optimization while modulating update strength across token types. Our method introduces response-level entropy normalization for stable token classification and applies differentiated clipping ranges and KL regularization to encourage exploration on reasoning tokens while preserving knowledge tokens. Experiments on mathematical reasoning and code generation benchmarks show that Archer consistently outperforms strong baselines across multiple model scales, improving both \textit{pass@1} and \textit{pass@K} performance. These results highlight the importance of respecting sequence-level dependencies when designing fine-grained RL optimization strategies for LLMs.
Missing-Data-Induced Phase Transitions in Spectral PLS for Multimodal Learning
arXiv:2601.21294v2 Announce Type: replace Abstract: Partial Least Squares (PLS) learns shared structure from paired data via the top singular vectors of the empirical cross-covariance (PLS-SVD), but multimodal datasets often have missing entries in both views. We study PLS-SVD under independent entry-wise missing-completely-at-random masking in a proportional high-dimensional spiked model. After appropriate normalization, the masked cross-covariance behaves like a spiked rectangular random matrix whose effective signal strength is attenuated by $\sqrt{\rho}$, where $\rho$ is the joint entry retention probability. The replica-symmetric analysis predicts a sharp BBP-type phase transition: below a critical signal-to-noise threshold the leading singular vectors are asymptotically uninformative, while above it they achieve nontrivial alignment with the latent shared directions, with closed-form asymptotic overlap formulas. We also state a finite-rank extension as a conjecture, predicting that the same missingness-adjusted threshold applies componentwise when the latent spikes are separated. Simulations and semi-synthetic multimodal experiments agree with the predicted phase diagram and recovery curves across aspect ratios, signal strengths, and missingness levels.
CodeDistiller: Automatically Generating Code Libraries for Scientific Coding Agents
arXiv:2512.01089v2 Announce Type: replace Abstract: Automated Scientific Discovery (ASD) systems can help automatically generate and run code-based experiments, but their capabilities are limited by the code they can reliably generate from parametric knowledge alone. As a result, current systems either mutate a small number of manually-crafted experiment examples, or operate solely from parametric knowledge, limiting quality and reach. We introduce CodeDistiller, a system that automatically distills large collections of scientific Github repositories into a vetted library of working domain-specific code examples, allowing ASD agents to expand their capabilities without manual effort. Using a combination of automatic and domain-expert evaluation on 250 materials science repositories, we find the best model is capable of producing functional examples for 74% of repositories, while our downstream evaluation shows an ASD agent augmented with a CodeDistiller generated library produces more accurate, complete, and scientifically sound experiments than an agent with only general materials-science code examples. We also evaluate LLM-as-a-judge ratings against domain-expert ratings in an A/B testing paradigm, finding moderate agreement and suggesting that inexpensive proxy metrics may be feasible for evaluating scientific discovery systems at scale.
Reinforcement learning for adaptive interior point methods in convex quadratic programming
arXiv:2509.07404v2 Announce Type: replace-cross Abstract: Quadratic programming is a workhorse of modern nonlinear optimization, control, and data science. Although regularized methods offer convergence guarantees under minimal assumptions on the problem data, they can exhibit the slow tail-convergence typical of first-order schemes, thus requiring many iterations to achieve high-accuracy solutions. Moreover, hyperparameter tuning significantly impacts the solver performance but how to find an appropriate parameter configuration remains an elusive research question. To address these issues, we explore how data-driven approaches can accelerate the solution process. Aiming at high-accuracy solutions, we focus on a regularized interior-point solver and carefully handle its two-loop flow and control parameters. We will show that reinforcement learning can make a significant contribution to facilitating the solver tuning and to speeding up the optimization process. Numerical experiments demonstrate that, after a lightweight training, the learned policy generalizes well to different problem classes with varying dimensions.
Preconditioned Regularized Wasserstein Proximal Sampling
arXiv:2509.01685v2 Announce Type: replace-cross Abstract: We consider sampling from a Gibbs distribution by evolving finitely many particles. We propose a preconditioned version of a recently proposed noise-free sampling method, governed by approximating the score function with the numerically tractable score of a regularized Wasserstein proximal operator. This is derived by a Cole--Hopf transformation on coupled anisotropic heat equations, yielding a kernel formulation for the preconditioned regularized Wasserstein proximal. The diffusion component of the proposed method is also interpreted as a modified self-attention block, as in transformer architectures. For quadratic potentials, we provide a discrete-time non-asymptotic convergence analysis and explicitly characterize the bias, which is dependent on regularization and independent of step-size. Experiments demonstrate acceleration and particle-level stability on various log-concave and non-log-concave toy examples to Bayesian total-variation regularized image deconvolution, and competitive/better performance on non-convex Bayesian neural network training when utilizing variable preconditioning matrices.
From Text to DSL: Evaluating Grammar-Based Model Generation Using Open LLMs
arXiv:2605.15865v1 Announce Type: new Abstract: Large Language Models (LLMs) have shown increasing potential in automating model-driven software engineering tasks, particularly in generating models conforming to Domain Specific Languages (DSLs) from natural language. While most existing approaches rely on large proprietary models, their high cost and limited deployability hinder broader adoption. In this paper, we evaluate whether open-source LLMs of varying sizes (0.5B to 32B parameters) can generate DSL-conformant models using only few-shot prompting, without any fine-tuning. Our evaluation focuses on key model-driven engineering (MDE) requirements, including syntactic validity, semantic completeness, and inter-model reference consistency. We extend our prior work by moving from generating user interface models (referred to as "UI models" in this paper) over fixed, predefined data schemas ("data models") to generating both the UI and data models entirely from scratch. This shift serves two purposes: first, it highlights the LLM's ability to infer domain-specific relationships and maintain consistency across multiple interconnected models; second, it allows us to generalize earlier findings by testing DSL generation across models of different natures and structural roles. Our structured evaluation combines automatic parsing and expert feedback across 39 LLMs, revealing that several compact models (e.g., \texttt{gemma3:12b}, \texttt{mistral:7b-instruct}) approach or match the quality of much larger models. These findings demonstrate the feasibility of using smaller, open-source LLMs for grammar-conformant DSL generation in MDE workflows, offering a cost-effective and deployable alternative to closed LLMs.
"Someone Hid It": Query-Agnostic Black-Box Attacks on LLM-Based Retrieval
arXiv:2602.00364v4 Announce Type: replace Abstract: Large language models (LLMs) have been serving as effective backbones for retrieval systems, including Retrieval-Augmentation-Generation (RAG), Dense Information Retriever (IR), and Agent Memory Retrieval. Recent studies have demonstrated that such LLM-based Retrieval (LLMR) is vulnerable to adversarial attacks, which manipulates documents by token-level injections and enables adversaries to either boost or diminish these documents in retrieval tasks. However, existing attack studies mainly (1) presume a known query is given to the attacker, and (2) highly rely on access to the victim model's parameters or interactions, which are hardly accessible in real-world scenarios, leading to limited validity. To further explore the secure risks of LLMR, we propose a practical black-box attack method that generates transferable injection tokens based on zero-shot surrogate LLMs without need of victim queries or victim models knowledge. The effectiveness of our attack raises such a robustness issue that similar effects may arise from benign or unintended document edits in the real world. To achieve our attack, we first establish a theoretical framework of LLMR and empirically verify it. Under the framework, we simulate the transferable attack as a min-max problem, and propose an adversarial learning mechanism that finds optimal adversarial tokens with learnable query samples. Our attack is validated to be effective on benchmark datasets across popular LLM retrievers.
LASER: Language Model Regression for Semi-Structured Workflow Resource and Runtime Estimation
arXiv:2512.19701v2 Announce Type: replace Abstract: Accurate prediction of resource consumption and runtime for cloud workflow jobs is critical for scheduling efficiency, yet remains challenging due to the semi-structured nature of job configurations -- comprising shell commands, tool-specific parameters, dependency graphs, and hierarchical metadata. Traditional ML approaches require brittle feature engineering to flatten this rich information into fixed-size vectors, losing critical semantic context. We present LASER, a framework that fine-tunes LLMs on serialized workflow job configurations for multi-target resource and runtime regression. To address the challenges of numerical regression via generation, we introduce scientific notation output encoding for targets spanning multiple orders of magnitude, and constrained decoding with prefix filling to enforce output validity while reducing inference latency by over 30%. We further show that full-attention fine-tuning improves accuracy over sliding-window LLMs on long job contexts. Validated on large-scale chip design workloads, and GHARuntime, a new public benchmark derived from 580,000+ GitHub Actions runs across 27,000+ repositories, LASER outperforms human experts and SOTA tabular ML baselines, with clear model- and data-scaling behavior, establishing a new paradigm for LLM-based regression on semi-structured workflow data.
Far-field radiation of bulk, edge and corner eigenmodes from a finite 2D Su-Schrieffer-Heeger plasmonic lattice
arXiv:2510.08063v2 Announce Type: replace-cross Abstract: Subwavelength arrays of plasmonic nanoparticles allow us to control the behaviour of light at the nanoscale. Here, we develop an eigenmode analysis, employing a coupled electromagnetic dipole formalism, which permits us to isolate the contribution to the far-field radiation of each array mode. Specifically, we calculate the far-field radiation patterns by bulk, edge and corner out-of-plane eigenmodes in a finite 2D Su-Schrieffer-Heeger (SSH) array of plasmonic nanoparticles with out-of-plane dipolar resonances. The breaking of symmetries in multipartite unit cells is exploited to tailor the optical properties and far-field radiation of the resonant modes. We prove that the antisymmetric modes are darker and have higher Q-factors than their symmetric counterparts. Also, the out-of-plane nature of the dipolar resonances imposes that all bulk $\Gamma$-modes are dark, while corner and edge states need extra in-plane symmetries to cancel the far-field radiation; radiation patterns in turn become more complex and concentrated along the array plane with increasing array size.
Complexity of Non-Log-Concave Sampling in Fisher Information
arXiv:2605.15859v1 Announce Type: new Abstract: We study the query complexity of obtaining a relative Fisher information guarantee for sampling from a log-smooth non-log-concave distribution; this is a sampling analog of finding an approximate stationary point in optimization. Our algorithm is based on the proximal sampler, which is an implicit discretization of the Langevin diffusion, and requires an implementation of the backward step known as the restricted Gaussian oracle (RGO). We show that by leveraging the recent results for log-concave sampling with high-accuracy guarantees in R\'enyi divergence, we can obtain an approximate RGO implementation that -- when used with the proximal sampler -- yields a complexity guarantee in relative Fisher information that inherits the same dimension dependence as log-concave sampling, and improves upon prior work for non-log-concave sampling. We also show a converse reduction that any improvement in the dimension dependence in relative Fisher information for non-log-concave sampling will yield an improved dimension dependence for high-accuracy log-concave sampling.
Rethinking Cross-Dose PET Denoising: Mitigating Averaging Effects via Residual Noise Learning
arXiv:2604.16925v3 Announce Type: replace Abstract: Cross-dose denoising for low-dose positron emission tomography (LDPET) has been proposed to address the limited generalization of models trained at a single noise level. However, neural networks trained on a specific dose level often fail to generalize to other dose conditions due to variations in noise magnitude and statistical properties. Conventional "one-size-for-all" models attempt to mitigate this variability but tend to learn averaged representations across noise levels, resulting in degraded performance. In this work, we analyze this limitation and show that standard training formulations implicitly optimize an expectation over heterogeneous noise distributions, causing the network to learn an averaged denoising mapping that cannot accurately model dose-specific noise characteristics. We propose a unified residual noise learning framework that estimates noise directly from low-dose PET images rather than predicting full-dose images. Experiments on large-scale multi-dose PET datasets from two medical centers demonstrate that the proposed method outperforms the "one-size-for-all" model, individual dose-specific U-Net models, and dose-conditioned approaches, achieving improved denoising performance. These results indicate that residual noise learning effectively mitigates the averaging effect and enhances generalization for cross-dose PET denoising.
Reward Auditor: Inference on Reward Modeling Suitability in Real-World Perturbed Scenarios
arXiv:2512.00920v5 Announce Type: replace Abstract: Reliable reward models (RMs) are critical for ensuring the safe alignment of large language models (LLMs). However, current RM evaluation methods focus solely on preference perception accuracies in given specific scenarios, obscuring the critical vulnerabilities of RMs in real-world scenarios. We identify the true challenge lies in assessing a novel dimension: Suitability, defined as conditional reliability under specific real-world perturbations. To this end, we introduce Reward Auditor, a hypothesis-testing framework specifically designed for RM suitability inference. Rather than answering "How accurate is the RM's preference perception for given samples?", it employs scientific auditing to answer: "Can we infer RMs exhibit systematic vulnerabilities in specific real-world scenarios?". Under real-world perturbed scenarios, Reward Auditor quantifies statistical significance and effect size by auditing distribution degradation of RM preference perception confidence. This enables inference of both the certainty and severity of RM vulnerabilities across diverse real-world scenarios. This lays a solid foundation for building next-generation LLM alignment systems that are verifiably safe, more robust, and trustworthy.
From Guidelines to Guarantees: A Graph-Based Evaluation Harness for Domain-Specific Evaluation of LLMs
arXiv:2508.20810v3 Announce Type: replace Abstract: Rigorous evaluation of domain-specific language models requires benchmarks that are comprehensive, contamination-resistant, and maintainable. Static, manually curated datasets do not satisfy these properties. We present a graph-based evaluation harness that transforms structured clinical guidelines into a queryable knowledge graph and dynamically instantiates evaluation queries via graph traversal. The framework provides three guarantees: (1) complete coverage of guideline relationships; (2) surface-form contamination resistance through combinatorial variation; and (3) validity inherited from expert-authored graph structure. Applied to the WHO IMCI guidelines, the harness generates clinically grounded multiple-choice questions spanning symptom recognition, treatment, severity classification, and follow-up care. Evaluation across five language models reveals systematic capability gaps. Models perform well on symptom recognition but show lower accuracy on treatment protocols and clinical management decisions. The framework supports continuous regeneration of evaluation data as guidelines evolve and generalizes to domains with structured decision logic. This provides a scalable foundation for evaluation infrastructure.
Chemical Origins of Non-Bonded Interactions Within and Between Solids
arXiv:2605.15381v1 Announce Type: cross Abstract: Non-bonded interactions govern structure, stability, and function across a wide range of solid-state materials, yet their chemical origins are often difficult to resolve from total energies alone. Here we generalize absolutely localized molecular orbital energy decomposition analysis to quantify and interpret non-bonded interactions within and between solids at the density functional theory level. Across molecular crystals, moir\'e heterobilayers, and layered perovskite heterostructures, this framework separates lattice-formation energies, interlayer binding energies, and band-structure changes into chemically intuitive contributions from frozen interactions, polarization, and charge transfer. The analysis reveals how dispersion controls polymorph stability in pharmaceutical crystals, how local stacking modulates interlayer coupling in MoS2/WSe2, and how alkali-cation substitution switches the quantum-well character of layered perovskite heterostructures. By connecting emergent solid-state properties to microscopic interaction mechanisms, this framework provides a chemically transparent basis for understanding and designing complex materials.
Watts vs. Bytes: Turning Data Centers into Grid Assets via Storage Compute Co-Optimization
arXiv:2605.16190v1 Announce Type: new Abstract: Enabling continued data-center growth under increasing grid stress motivates closer coordination between flexible computing demand and co-located battery energy storage systems (BESS) to improve site operations and provide grid services. This paper develops a robust co-optimization framework for day-ahead operation of data centers with co-located BESS under utility-imposed interconnection limits on peak load and ramping. The model jointly considers deadline-constrained computing workloads, managed through workload scheduling and dynamic voltage and frequency scaling (DVFS), together with degradation-aware BESS dispatch to enable cost optimization and participation in ancillary-service markets. Case studies based on real-world market and workload data show that the proposed framework yields feasible day-ahead schedules across a range of operating conditions, with substantially larger benefits when interconnection constraints become binding. Under baseline conditions, BESS value is derived from both ancillary-service participation and improved workload and energy management. Under stressed peak-load and ramping limits, however, the daily value of BESS increases by a factor of two or more, driven primarily \revise{by BESS actions to reduce the potential incompletion in the schedulable workload while complying with interconnection constraints}. Under tight peak-load caps, workload composition also matters where a higher share of non-schedulable jobs can increase operating cost by more than 25\% relative to more flexible workload mixes. \revise{Additionally, DVFS studies further show that processor-level control is a material flexibility lever under tight load limits.} These results demonstrate that coordinated compute-storage flexibility can materially expand the operational headroom and grid value of data centers, especially under increasingly scarce grid capacity.
Do Less, Achieve More: Do We Need Every-Step Optimization for RL Fine-tuning of Diffusion Models?
arXiv:2605.15855v1 Announce Type: new Abstract: Despite strong image-generation performance, diffusion models' reconstruction objectives limit alignment with human preferences. RL enables such alignment through explicit rewards. However, most studies apply RL to the full denoising trajectory, making it computationally costly and weakening preference alignment, i.e., doing more but achieving less. We observe that the impact of RL fine-tuning varies significantly across denoising stages. In the early stage, image structures are unstable and distant from the final reward signal. Applying RL at this stage leads to delayed rewards and action-reward mismatching, resulting in high variance and inefficient updates. Conversely, in the later stage, reward gains saturate, and continued training tends to overfit local details, intensifying reward hacking. To tackle these challenges, we propose AdaScope, an RL-enhanced plug-in that improves generation quality while reducing computational cost. Specifically, AdaScope adaptively identifies the optimal intervention timing for RL by perceiving the structural evolution and semantic consistency during denoising, and dynamically terminates training once the denoising converges and reward gains saturate. As a result, it achieves a rare 'dual benefit': a reduction in computational costs alongside a significant performance improvement. We offer theoretical grounds for the design of AdaScope. Compared with state-of-the-art methods, AdaScope improves performance by 66% while cutting computational cost by 59%.
Exploration of $k$-edge-deficient temporal graphs in linear time
arXiv:2605.15833v1 Announce Type: new Abstract: We study the Temporal Exploration problem, where an agent must visit all vertices of a temporal graph while traversing at most one available edge per time step. Unlike static graphs, which can be explored in linear time, temporal constraints can substantially increase exploration time even when every snapshot of the graph is connected. To better understand the source of this complexity, we focus on a near-static setting and consider always-connected $k$-edge-deficient temporal graphs, in which each snapshot is connected and differs from a fixed underlying $n$-vertex graph by at most $k$ edges. Although such graphs are structurally close to static graphs, they can still exhibit non-trivial temporal behaviour. Prior work showed that these graphs can be explored in $O(kn \log n)$ time steps and established a lower bound of $\Omega(n \log k)$, leaving open whether linear-time exploration in $n$ is possible. We resolve this question by showing that any always-connected $k$-edge-deficient temporal graph admits an exploration schedule of length $O(nk \log k)$. Moreover, given such a temporal graph, the corresponding exploration schedule can be computed in polynomial time. The obtained bound is linear in the number of vertices up to a factor depending only on $k$, removes the extraneous logarithmic dependence on $n$, and is nearly optimal. In particular, for constant $k$, our result yields an order-optimal $\Theta(n)$ exploration time, showing that temporal exploration in this near-static regime essentially retains the linear-time character of static graph traversal.