Producing a labeled vulnerable code at scale is a recurring obstacle for learning-based vulnerability detection: mined corpora carry substantial label noise, and existing LLM-based augmentation propagates these inaccuracies because it transforms vulnerable seeds rather than synthesising vulnerabilities from a specification. A complementary route is to start from safe code and ask an instruction-tuned LLM to inject a specified CWE (which would shift the labeling burden from open-ended detection to bounded binary confirmation) but safety-aligned code LLMs systematically refuse such prompts. This paper is a preliminary feasibility study of abliteration, a low-rank weight edit that orthogonally projects out the refusal direction in the residual stream, as a tool to remove this barrier. We use Python and CWE-89 (SQL injection) as a case study, evaluating the Qwen2.5-Coder-Instruct family at 3B, 7B, and 14B parameters on safe samples drawn from PromSec and SafeCoder, replicated three times per condition. We find that (i) refusal on injection prompts is strongly size- and prompt-context-dependent: the 14B refuses 100% of prompts, the 7B refuses 73% of PromSec but only 5% of SafeCoder, whereas the 3B is essentially never blocked; (ii) abliteration reduces refusal to zero or near-zero across all sizes while leaving syntactic validity above 93%, supporting the view that, in this setting, refusal can be detached from measured code-generation capability; and (iii) the post-abliteration injection rate remains capacity-bound (88-97% on the 14B, 89-90% on the 7B, and 25-48% on the 3B) separating willingness, which abliteration unlocks, from capability, which scales with parameters. Vulnerability verdicts are produced by a three-tool detector ensemble (CodeQL, Semgrep, Bandit) followed by manual adjudication by two authors on detector-positive outputs.

Readers of applied-domain LLM capability evaluations want to know what AI systems can currently do. That literature answers a related, but consequentially different, question: what older, cheaper, less-elicited models could do months or years earlier (a 2026 paper evaluating GPT-3.5 or GPT-4 zero-shot, say, against a frontier of reasoning-capable, tool-using systems like GPT-5.5 Pro and Claude Opus 4.7), often reported with sparse configuration details and abstracted upward into claims about "AI" that propagate through citations, media, and policy. We measure the 'publication elicitation gap' (the gap between these answers) in a pre-registered audit of 112,303 LLM-keyword-matched candidate records (2022-01 to 2026-04; 18,574 admissible, 4,766 full-paper texts retrievable), comparing tested models to the contemporaneous frontier on the Epoch AI Capabilities Index (ECI), reproduced under Arena Elo and Artificial Analysis. The median paper evaluates a model +10.85 ECI (~1.4x the distance between Claude Sonnet 3.7 and Claude Opus 4.5) behind the contemporaneous frontier at evaluation time (H1); an exploratory rational-lag baseline (H8) decomposes this into ~25% peer-review latency, ~75% excess lag. The gap is widening at +5.53 ECI/year (H2; 95% CI [+5.03, +5.83]). Meanwhile, only 3.2% of abstracts (21.2% of full-texts) disclose reasoning-mode status on reasoning-capable models (H4) and 52.5% (95% CI [48.2, 56.9]) state conclusions at the level of "AI" rather than the evaluated model(s), rising at OR = 1.23/year. Proposed remedies include API-access subsidies and editorial enforcement of reporting frameworks mandating configuration-surface disclosure (model snapshot, reasoning mode/effort, tool access, scaffolding, prompting, etc.); VERSIO-AI is a 13-item checklist (Core 3 desk-reject) extending existing frameworks at the elicitation surface, with per-DOI analysis at frontierlag.org.

Autonomous software agents hold promise to increase developer productivity but make mistakes and exhibit novel failure modes, making human oversight central to successful human-agent collaboration. Existing research on agent oversight is largely conceptual; normative frameworks exist, but how users actually oversee agents is less known. In this paper, we bridge this gap by providing early empirical anchors for the theoretical discourse on agent oversight. Drawing on interviews with 17 experienced developers, we conduct an exploratory inquiry examining what forms of emergent oversight work developers perform, when, and how. We also document the oversight challenges developers face and the strategies they have started using to address them. We found at least four forms of emergent oversight work: a priori control, co-planning, real-time monitoring, and post hoc review. We show that oversight work is not only reactive and retrospective, as portrayed in existing research, but also preventative and proactive. We describe situated oversight challenges (e.g., difficulty reviewing agent-generated code) and outline heuristics developers adopt to address such challenges (e.g., using test results as guarantees for code correctness). We conclude with high-level takeaways, future research directions, implications for the human-centered design of software agents and for software engineering practice, and limitations of our research.

Can artificial intelligence (AI) refute economic theory? I document experiments in which I asked several AI models (Gemini, Refine, Claude, and ChatGPT) to check the correctness of four published papers in economic theory, each containing an error that I helped identify or correct. ChatGPT Pro performed best, occasionally constructing counterexamples and corrected proofs, while other models fared worse. However, no model located a true error without substantial human guidance, and data contamination complicates interpretation. I argue that a competent human paired with a frontier model can outperform current peer review, but AI cannot yet refute economic theory on its own.

We present learning-augmented algorithms for two general classes of online minimization problems: metrical task systems and laminar set cover. Both algorithms achieve improved theoretical guarantees using machine-learned predictions of an optimal solution to the dual linear program. Unlike optimal primal solutions, which can change drastically under tiny instance perturbations, these dual solutions are much more stable, which ensures the existence of good (and learnable) predictions for families of similar instances. While previous work has used dual predictions in offline settings and for online maximization problems, our algorithms are, to the best of our knowledge, the first demonstration that such dual predictions can be effective for online minimization. Our theoretical results are complemented by experiments on the $k$-server problem and the parking permit problem.

We consider multi-environment prediction problems. We assume the environments change the distribution of a latent variable, while the mechanisms generating observed covariates and targets remain stable conditional on that variable. For example, hospitals or clinical cohorts may differ in the prevalence of latent patient states, even though the relationships between those states, physiological measurements, and outcomes remain unchanged. Given a dataset from multiple environments, we formulate a Bayesian model for such problems and derive the corresponding variational objective. We show that this objective decomposes into per-environment terms and an additional cross-environment balancing term induced by the model's structure. We use an empirical Bayes method to set the prior and incorporate it into the objective. Based on this objective, we develop an amortized variational algorithm for posterior approximation, and use the resulting learned latent variables to form predictions in new environments.We study our approach through simulations and real-world studies of astronomical source identification, microbiome-based disease detection, and ICU sepsis prediction. Across these settings, our method outperforms previous approaches for prediction in new environments.

Missing data imputation in large-scale surveys faces two challenges that are not well handled by current tabular diffusion methods. First, \emph{structural skips}, cells made inapplicable by questionnaire design, should not be imputed but are often conflated with item nonresponse. Second, \emph{ordinal} responses encode ordered categories, yet most pipelines treat them as nominal levels through one-hot or analog-bit encodings. We introduce \textbf{TabSODA} (\textbf{Tab}ular diffusion with \textbf{S}kip pattern detection and \textbf{O}r\textbf{d}inal \textbf{A}wareness), an Expectation-Maximization (EM)-based diffusion imputer built on the Elucidated Diffusion Model (EDM) framework. TabSODA propagates structural skips through the denoising loss and reverse-time sampler, and represents ordinal variables with cumulative-probit scalar latents while retaining analog-bit encodings for nominal variables. When a codebook skip mask is available, TabSODA uses it directly; otherwise, the TabSODA+SKIP variant estimates the mask from raw responses and questionnaire order using a CART-based skip-pattern miner. On Population Assessment of Tobacco and Health (PATH) study and the National Survey on Drug Use and Health (NSDUH), two nationally representative U.S.\ surveys, TabSODA reduces ordinal MACE by up to $23.7\%$ and improves categorical accuracy by up to $9\%$ over the strongest baseline across MCAR, MAR, and MNAR masking. The skip miner achieves near-perfect precision on both datasets, allowing TabSODA+SKIP to closely track the codebook-mask variant.

MCP (Model Context Protocol) enables LLMs (Large Language Models) to interact with external tools and data sources via a standardized protocol. Its rapid adoption in tool-augmented Artificial Intelligence (AI) workflows has introduced new reliability challenges, such as configuration parameters that are accepted but not enforced at runtime, leading to unintended default behavior, whose runtime fault characteristics remain empirically unexamined. We present the first empirical taxonomy of runtime faults in MCP servers. We manually analyzed 837 MCP-specific runtime fault threads from 473 actively maintained MCP server GitHub repositories and derived a taxonomy using a bottom-up open coding procedure. The taxonomy comprises 11 top-level categories and 27 subcategories (73 leaf fault types), covering recurrent failures across protocol interactions, tool invocations, schema enforcement, state management, model-provider integration, security validation, and timeouts or explicit cancellations of in-progress operations. To assess the taxonomy's external validity, we surveyed 55 MCP server developers. Respondents reported experiencing an average of 20 of the 27 fault subcategories, and no category remained unobserved. These results indicate that the taxonomy reflects widely observed runtime failures in MCP-based systems and shall assist AI software maintenance and evolution in the future.

Modern video diffusion models generate increasingly realistic and temporally coherent videos, motivating their use as candidate world simulators. Yet it remains unclear whether these models internally encode physical structure, or merely reproduce motion patterns seen during training. We study this question by probing video diffusion models along latent trajectories corresponding to real videos with known physical plausibility. To obtain such trajectories, we approximately invert the deterministic sampling process by integrating the learned velocity field backward from a clean video latent to noise, giving access to the model's intermediate states and attention maps. Using these recovered trajectories, we show that physical plausibility is linearly decodable from diffusion transformer states across IntPhys and InfLevel, reaching around 81.27% average accuracy and outperforming dedicated representation-learning baselines such as V-JEPA and VideoMAE. Surprisingly, this signal is absent from the VAE latent input and emerges inside the denoising transformer itself, despite the model not being trained with a self-supervised predictive objective. These findings suggest that physically meaningful representations can arise as a byproduct of generative denoising.

We study the dynamics of gradient descent in the Edge of Stability regime, where the learning rate is large enough to induce persistent oscillations in the loss and the sharpness. We propose a continuous-time effective model that tracks the evolution of the average trajectory coupled with the time-averaged covariance of its fast oscillations. Our analysis reveals that the natural quantity to monitor in such unstable regimes is an effective free energy, which combines the original risk functional with a curvature-related "entropic" term. Our model allows us to track the envelope of the oscillations even in situations where its dynamics evolve on similar timescales as the averaged weights. Otherwise stated, we can track the spikes that occur during the training of some neural network architectures. For wide two-layer neural networks optimized under stable non-vanishing oscillations, we derive a mean-field limit that results in a novel kinetic equation describing the joint distribution of weights and their fluctuations. We show that this equation can be interpreted as a Wasserstein-2 gradient flow of a macroscopic free energy. Finally, we provide numerical evidence on matrix factorization and deep learning tasks (CIFAR-10) to demonstrate the model's accuracy in capturing the envelope of the oscillations and the predictive power of the effective free energy.

We present a pipeline for building and aggregating task-specific, LLM-generated weak (imperfect) verifiers into a strong verifier for spatial layout domains. Given a task description, our pipeline asks an LLM to synthesize a collection of verifier programs using a layout verification DSL. Each individual LLM-generated verifier usually provides an imperfect check for a match between the layout and the corresponding task description. We show that by aggregating the responses of many such verifiers we can produce a stronger verifier. Moreover, by applying techniques from weak learning, our pipeline can learn how to aggregate the weak verifiers from a very sparse set of human labeled example layouts (about 10). We find that the strong verifiers produced by our pipeline outperform the status-quo approach of using a set of LLM judges to directly check whether a layout matches a task description, raising F1-scores by up to 7X across a variety of 3D room layout and 2D poster design tasks. We also demonstrate that verifier-guided layout generation using natural language feedback from our strong verifiers improves layout quality of a base layout generator by up to 66.2% according to a human evaluator.

Uncrewed aerial vehicles (UAVs) are increasingly considered as aerial platforms capable of providing both sensing and communication services, representing a promising paradigm for intelligent transportation systems. This paper investigates the optimal time allocation for a UAV-enabled integrated sensing and communication (ISaC) system operating in the X-band for vehicular networks. We analyze the trade-off between sensing accuracy and communication performance under practical UAV constraints and fading effects, considering both single-shadowing and double-shadowing channel models. An optimization framework is developed to allocate time between sensing and communication while guaranteeing minimum communication rates and sufficient sensing reliability. Simulation results demonstrate adaptive time allocation strategies, highlighting how UAV-to-ground channel conditions and target distances influence the balance between sensing and communication in smart mobility scenarios.

Transfer learning is a natural strategy when a target population has limited data but multiple related auxiliary sources are available. A central difficulty is source heterogeneity: auxiliary sources may not be equally useful, and their usefulness may vary in a structured, cluster-like fashion. Existing transfer-learning methods often reduce source selection to a binary informative/non-informative decision, overlooking subgroups of sources with differential transferability. Motivated by a suicide-risk study using data from the Connecticut Hospital Information Management Exchange (CHIME), comprising 636,758 patients across 27 hospitals, we propose Trans-GLMC, a cluster-structured transfer-learning procedure for generalized linear models. The CHIME setting illustrates the core challenge: hospital-specific risk models are unstable because suicide attempts are rare at any single facility, whereas indiscriminate pooling across hospitals can obscure facility-level differences in patient mix and risk profiles. Trans-GLMC first constructs a coefficient-based distance among the target and candidate sources to recover latent source clusters. It then combines global fusion, within-cluster refinement, and target debiasing to produce an estimator that adapts to the detected structure. We establish a non-asymptotic error bound that improves over its unclustered counterpart whenever a meaningful target cluster exists and matches the unclustered rate up to constants otherwise. In simulations and in the CHIME study, Trans-GLMC improves facility-specific prediction, identifies interpretable communities of hospitals with mutual transferability, and recovers clinically coherent suicide-risk factors.

Oklab and its cylindrical representation Oklch are widely adopted in interpolation and design workflows as perceptually motivated color spaces, but their color difference prediction accuracy falls short of CIEDE2000. We propose Oklch+, a three-parameter extension of Oklab comprising a power transformation on the L-axis and a Naka-Rushton compression on the C-axis, with Euclidean distance computed in the resulting transformed Oklab coordinates. The Naka-Rushton function is bounded in [0,1], reflecting the saturating nature of chroma sensitivity at high colorimetric values. Evaluated on COMBVD -- 3,813 suprathreshold color difference pairs spanning six independent experimental datasets -- Oklch+ achieves STRESS = 29.09, closely matching CIEDE2000 (29.13; difference = 0.04), using only three parameters optimized against color difference data compared to approximately 17 for CIEDE2000. Cross-validation on a held-out BFD-P D65 subset (2,028 pairs) confirms generalization (STRESS = 26.14), with Oklch+ substantially outperforming Oklab (51.45) and achieving STRESS comparable to CIEDE2000 (24.12) on the held-out set. Improvement over Oklab (47.35) is confirmed across all six COMBVD sub-datasets. Because Oklch+ defines a coordinate system in which Euclidean distance approximates perceptual distance, linear interpolation in the transformed space offers substantially improved perceptual uniformity relative to Oklab. Current evaluation is limited to the sRGB-centered COMBVD dataset; validation in high-chroma regions with empirical observer-rated discrimination data remains future work.

Security teams routinely simulate attacks against their own systems to check whether their monitoring would catch a real intruder. These Breach-and-Attack-Simulation (BAS) tools surface findings, but the security information and event management (SIEM) systems that watch production need detection rules -- and today a human bridges that gap by hand, reading each finding and writing the corresponding Sigma rule (a vendor-neutral detection format). We show this translation can be partially automated when probes are drawn from a locked corpus, so each finding carries a stable identifier back to the originating probe. We describe a deterministic synthesis function that maps each finding to a starter Sigma rule through a small template library (N=23, indexed by categories from the OWASP LLM and Web Top 10), with a back-reference to the originating finding and its MITRE ATT&CK technique. On two locked corpora (17-probe LLM, 23-probe Web), every bypassed-probe finding yields a starter rule, and all 17/17 emitted rules parse and convert to Splunk and Elasticsearch backends. Replayed through a live OpenSearch SIEM, the LLM rules fire on 30% of a held-out AdvBench subset and 14% of HarmBench at 7.7% false positives on a benign baseline; the Web side is validated structurally, not against a held-out attack set. The contribution is a verifiable, byte-stable path from BAS finding to operator-deployable starter rule, re-derivable from the published corpus and template library alone -- trading the breadth of LLM-generative methods for exact reproducibility and a typed traceback from any fired alert to the originating probe.

Stochastic-gradient Langevin algorithms often use tamed denominators to stabilize non-globally Lipschitz drifts. This paper shows that when the denominator depends on the same stochastic-gradient realization as the numerator, the taming step changes the stochastic oracle itself and can create a stationary bias even if the original stochastic gradient is unbiased. We propose a structure-preserving framework for designing tamed denominators. It fixes the denominator before the oracle noise is sampled and uses localized deterministic envelopes to avoid unnecessary taming in typical regions. These kernels keep the stabilizing effect of taming while avoiding the bias introduced by a gradient-dependent denominator. Our theory explains how the stationary error splits into the bias caused by oracle-dependent taming and the remaining error introduced by deterministic stabilization. Within this deterministic-envelope family, the analysis identifies a far-tail condition that explains the limitation of local soft envelopes and motivates a hybrid member: soft in the typical region, but protected by hard-tail control on rare excursions. Experiments confirm the predicted stationary distortions of random denominators, the bias reduction of deterministic-envelope designs, and the stabilizing effect of the hybrid construction.

Public benchmarks enable fair and reproducible evaluation of LLM reasoning, but they become fragile for deep research agents that actively search the web during inference. Such agents may retrieve public benchmark metadata, question context, or even ground-truth answers via web search. This gives rise to Search-Time Contamination (STC), where external retrieval bypasses intended reasoning and inflates measured performance. We systematically study STC in deep research agent evaluation. We define three contamination types with increasing severity, namely Benchmark Metadata Leakage, Question-Context Leakage, and Explicit Answer Leakage, and develop detection algorithms to identify them and quantify their impact on agent performance. Evaluating modern deep research agents on six public benchmarks, we find that STC is widespread and can inflate performance by up to 4%. Our findings show that existing evaluations may overestimate true reasoning ability. We therefore advocate contamination-aware practices, including isolated sandboxes, transparent search trajectories, and controlled benchmark access.

Diffusion models have demonstrated strong performance in time series modeling due to their ability to progressively capture complex data distributions through iterative denoising. However, existing approaches struggle with frequency-sensitive denoising, high-frequency reconstruction and balancing global trends with local dynamics. To address these limitations, we propose \textbf{HyFAD}, a \textbf{Hy}brid time-frequency \textbf{D}iffusion model with \textbf{F}requency-\textbf{A}ware embedding for time series imputation. Built upon the DDPM paradigm, HyFAD adopts a coupled time-frequency diffusion framework, in which the reverse denoising proceeds sequentially from the time domain to the frequency domain, enabling coarse-to-fine generation. Specifically, the time-domain diffusion process captures low-frequency global trends, while the frequency-domain diffusion process refines high-frequency spectral components. We further introduce a frequency-aware step embedding that exploits the relationship between diffusion steps and spectral components, providing step-dependent spectral guidance and facilitates more accurate band-wise reconstruction. Extensive experiments on multiple benchmark datasets demonstrate that HyFAD achieves state-of-the-art performance. Our source code is available at https://github.com/hongfangao/HyFAD.

Recent computer-using-agent (CUA) red-teaming papers report prompt-injection attack success rates (ASR) of 42-98%, but these headline numbers cluster on retired models and on the most-vulnerable model in each paper's panel. We ask whether those techniques, reproduced as hand-crafted templates, still work against current frontier CUAs. We release CUA-HandCrafted, a public benchmark of 793 episodes spanning 24 multi-step web tasks, 56 attack templates, 8 attack families, and 4 system-prompt configurations. Against Claude Sonnet 4.6 and GPT-5.4 we measure 0/140 multi-step attack success (Clopper-Pearson 95% upper bound 2.60%); a prompt ablation shows this resistance lives in the model weights. Yet it does not generalize: on a sister coding-agent benchmark (SkillBench), the same weights fall to hand-crafted skill-injection at up to 100%. We argue that the literature's high ASR is largely attributable to RL-optimized injection text rather than the attack categories, and that frontier safety hardening is domain-conditioned, specific to the heavily-targeted browser surface. Reporting techniques without releasing the optimized strings, or extrapolating browser-domain safety to other CUA modalities, makes published ASR numbers unreproducible.

Selecting a clustering algorithm and its hyperparameters without labels is a common difficulty in engineering machine learning pipelines that work with unsupervised analysis of sensor, image, or process data. Clustering validation indices (CVIs) provide internal scores for ranking candidate clusterings, but most popular CVIs are built from Euclidean compactness and separation terms and so tend to favour compact, convex partitions. Their performance is known to degrade on non convex, irregular, or variable density data, where kernel transformations or alternative distance measures are typically used at the cost of additional tuning and computation. This paper introduces the Central Description Length (CDL) clustering validation index. CDL uses the observed within cluster compactness, the estimated cluster centers, and the estimated cluster covariances to compute a probabilistic upper bound on the description length associated with the unobservable true cluster centers. The bound condenses intra cluster compactness and centroid displacement into a single computable quantity and is evaluated on the partition produced by any clustering algorithm. The implementation uses only observable quantities (the data, the partition, the estimated centers, and the estimated covariances) and does not use ground truth labels. On synthetic benchmarks with non convex and arbitrary shape clusters, CDL-CVI selected the reference number of clusters more often and reached higher Adjusted Rand Index (ARI) values than the conventional CVIs we tested, without an additional kernel preprocessing stage. On image benchmarks (MNIST, CIFAR-10, STL-10) clustered from frozen unsupervised embeddings, CDL-CVI returned cluster numbers close to the reference class counts across K-means, DBSCAN, and spectral clustering in the reported trials.

Hereditary stomatocytosis (HS) comprises red blood cell (RBC) disorders characterized by cup-shaped erythrocytes that respond oppositely to splenectomy: curative in overhydrated HS (OHS) but potentially thrombogenic in dehydrated HS (DHS/xerocytosis). This paradox persists because RBC biomechanics is governed by partly independent parameters--shear modulus, bending rigidity, surface-to-volume ratio (S/V), and cytoplasmic viscosity--that existing assays capture only piecemeal. Here we combine dissipative particle dynamics (DPD) simulations with microfluidic imaging to construct a control discocyte and three stomatocyte models (ST-RBC1-3) at fixed membrane area and decreasing volume (109.7, 101.5, 89.8 fL), spanning the OHS-to-DHS range. Tracing this parameter set through five mechanically orthogonal assays, we find that interendothelial-slit (IES) traversal is geometry-dominated: overhydrated ST-RBC1 requires an order of magnitude higher critical pressure than healthy RBCs, whereas dehydrated ST-RBC3 passes freely. ST-RBC3 nonetheless suppresses membrane tank-treading and raises low-shear whole-blood viscosity by ~29% at physiological haematocrit, comparable to Gaucher-disease hyperviscosity. A funnel-obstacle chip amplifies these differences into a label-free centerline-offset signal predicted to separate all four RBC types (~4.5 standard deviations between extreme phenotypes). These results unite single-cell mechanics, splenic filtration, and hemorheology in one framework, resolve the splenectomy paradox, and point toward microfluidic pre-operative risk stratification in HS.

Untargeted liquid chromatography-high-resolution mass spectrometry (LC-HRMS) detects thousands of molecular features per sample, yet only 2-20% receive confident structural annotations. A root cause of this "dark metabolome" is that tandem MS/MS acquisition is reactive: instruments select precursors only after ions appear, blind to what elutes next. We reframe chromatographic elution as an autoregressive sequence prediction task. Because reversed-phase elution order is governed by hydrophobicity, successive features form a physically constrained sequence, like tokens in language. We discretize the mass-to-charge (m/z) axis into 110 bins and train long short-term memory (LSTM) and Transformer models to predict the next eluting m/z bin from five annotation-free per-token features: m/z bin, mass defect, retention-time gap, polarity, and intensity rank. Trained on 15,242 features from four clinical lipidomics cohorts (342 plasma samples; SCIEX TripleTOF 6600+, Waters CSH C18), the LSTM reaches 98.4% top-1 accuracy (99.99% top-5; mean absolute error 3.6 Da) and the Transformer 98.0%. Ablation shows autoregressive context accounts for 55.5 percentage points while no single feature contributes more than 0.2 pp: the sequential pattern, not molecular properties, drives prediction. Models transfer across instruments sharing the method (r=0.999 on an independent Agilent 6530 dataset) but fail under a different column chemistry (5.1% top-1) or polarity mode (2.6%), confirming method- and mode-specificity. Fine-tuning on as few as two to five quality-control injections recovers held-out accuracy from 2.6% to nearly 50%, so cross-condition deployment needs minimal calibration. These results establish that elution sequences are highly predictable and lay the groundwork for predictive MS/MS acquisition to improve annotation coverage in untargeted metabolomics.

Artificial intelligence (AI) has been applied across educational contexts to support learning. One approach to such support is "human-AI collaboration" (also termed "hybrid intelligence"), where human(s) and AI components interact to promote human learning. However, as in human-to-human computer-supported collaborative learning (CSCL), unstructured interaction does not necessarily produce an effective learning experience. This paper reports a systematic literature review of empirical studies (N=62) on human-AI collaboration and hybrid intelligence for learning support. The review characterizes collaboration processes, their structures, and contexts of application. It also extracts emerging design knowledge and research gaps. Researchers and technology designers can use these findings as a starting point for structuring more effective AI-enhanced technologies for collaboration, in educational practice and future research.

We exhibit an exact correspondence between sampling with score-based diffusion models and adiabatic transport of ground states for a family of Schrödinger operators we call Score Hamiltonians, built from the learned score's quantum potential. We obtain novel density reconstruction bounds and principled annealing schedules via adiabatic theorems for Fokker-Planck equations with time-varying potentials. We find the fundamental limit of sampling is set by the ratio of squared score-matching error to Score Hamiltonian spectral gap - the inverse Poincaré constant of the data density.

Reinforcement Learning (RL) has long been a powerful solution to various problems in communication networks. However, traditional RL models still face with several limitations. Not only do they rely on large numbers of interactions with the environment, but they are also limited in terms of modeling long-term relationships and tackling partial observability. In recent years, the Transformer model has demonstrated the ability to enhance RL models, allowing them to overcome these issues. Particularly, the self-attention mechanism within the Transformer enables efficient modeling of long-range dependencies and global correlations, as well as accelerates training processes and handles heterogeneous data modalities. In this paper, we present a comprehensive survey of Transformer-based RL algorithms and their applications in communication networks. Specifically, the paper provides the mathematical background of RL and Transformer architectures, along with insights into key issues such as resource allocation, computation offloading, routing, and trajectory control, and network security. We conclude the paper by discussing challenges, open issues, and notable future research directions, including Transformer-enhanced DRL algorithms for semantic communication and network optimization.

Fragmentation is common in interdisciplinary fields with diverse methods and theoretical commitments. Predictive coding neuroscience is a clear example: its literature spans computational theory, electrophysiology, imaging, behavior, and modeling, creating a synthesis problem that conventional meta-analysis cannot easily resolve. Here, we describe a local multi-LLM pipeline for ontology-constrained literature synthesis. The pipeline reads papers, extracts evidence, incorporates figure descriptions, assembles constrained prompts, and validates outputs against an expert glossary. We manually defined a predictive-coding glossary of thirty-six concepts grouped into three hypotheses: predictive suppression, feedforward error propagation, and ubiquity. A council of ten local language models scored 31 studies according to their agreement or disagreement with each glossary factor across local and global oddball contexts. This enabled pairwise study-agreement analysis, cross-model comparison, and three-dimensional hypothesis-space mapping. Agreement was high for some hypotheses but weaker for others, revealing structured disagreement, particularly across local versus global oddball paradigms. We further define hypothesis-space temperature, a geometric dispersion metric measuring how compactly studies occupy the hypothesis space. Temperature was lower for local oddball contexts and higher for global oddball contexts, indicating greater dispersion in the latter. The scoring geometry also allowed us to estimate vectors of change between experimental contexts. These results demonstrate that local multi-LLM councils can produce auditable disagreement measurements that map heterogeneous literatures into quantitative evidence spaces. This framework may generalize to cross-study hypothesis mapping where conventional meta-analysis lacks a common comparison space.

In reactor physics, neutronics can be treated with different fidelity levels, according to the needs of the user. On one hand, the precise modeling of neutrons' behaviour in reactor physics is often expensive and time-consuming due to the high computational costs to numerically solve the Boltzmann transport equation. Conversely, by adopting suitable assumptions, such as the SP$_N$, diffusion theory, and point kinetics, it is possible to generate efficiently low-fidelity data. From the perspective of surrogate models, this computational limitation translates into a scarcity of high-fidelity data and a significant amount of low-fidelity data. Given this difference in fidelity levels, it would be interesting to develop a suitable procedure to map low-fidelity models towards higher fidelity models; for instance, one could obtain the solution to a multi-group diffusion equation starting from time-series data obtained from a point kinetics model. Indeed, this work investigates this possibility by leveraging multi-fidelity information with Shallow Recurrent Decoders, a novel machine learning architecture able to map time-series observations to the full state of the reactor. This technique has been designed to use local or global measurements as input and map their temporal trajectories to the high-dimensional state; by the same logic, in principle, this architecture can also be used when the input is formed by the solution of a lumped model. This work applies this idea to a benchmark reactor geometry, mapping the point kinetics model to the diffusion solution under various input conditions, with much less computational costs.

Lipid nanoparticles (LNPs) are efficient delivery systems for negatively charged nucleic acids. Their multi-component architecture yields a core-shell structure. Small-angle X-ray scattering (SAXS) is an important characterization technique for LNPs, but recovering internal structure and size distribution from SAXS is an inverse problem with non-unique solutions. Realistic models are often too expensive for systematic exploration. We introduce a machine-learning-accelerated, differentiable framework for SAXS analysis of heterogeneous, polydisperse LNPs. The forward model combines a core-shell particle with a Gaussian random-field interior, a neural surrogate for the monodisperse SAXS map, and a differentiable layer integrating over particle-size distributions. The surrogate reduces prediction cost by four orders of magnitude, while differentiability enables large-scale multi-start fitting and ensemble identifiability analysis. Applied to synthetic and experimental MC3 LNP data, the framework shows that near-identical SAXS fits can arise from distinct parameter modes, with the experimental fits dominated by a trade-off between size-distribution and interior-structure parameters.

The identification of constitutive neural network models from heterogeneous full-field deformation data provides a robust alternative to traditional calibration methods based on homogeneous stress-strain experiments, particularly given the high dimensionality of trainable parameters. Existing approaches must balance generality, robustness, and computational efficiency: Conventional finite element model updating is broadly applicable but computationally demanding; weak-form methods offer efficiency but are sensitive to noise and data scarcity; neural operator models are highly expressive but require extensive training datasets. This work presents FE-MAD (Finite Element-Based Material learning via Automatic Differentiation), an end-to-end differentiable framework that integrates a constitutive neural network model within a JAX-FEM nonlinear solver and identifies its parameters through gradient-based minimization of a measurement-mismatch loss. Newton tangent stiffness and loss gradients are computed automatically using forward- and reverse-mode automatic differentiation throughout the entire pipeline, thereby removing the need for analytic adjoints or offline surrogate models. FE-MAD is demonstrated for two architectures: a grey-box Constitutive Artificial Neural Network (CANN), a polyconvex, fully connected model with high flexibility, and a white-box CANN, an expert-system network with phenomenologically interpretable strain-energy terms. Focusing on incompressible isotropic hyperelasticity, FE-MAD is evaluated on three open experimental datasets: (1) full digital image correlation (DIC) of a perforated tensile specimen, (2) a reduced-data scenario with a one-dimensional stretch profile and global force-displacement curve, and (3) a heterogeneous matrix-inclusion system in which both phases constitutive laws are identified and generalized to twenty-two previously unseen samples.

Nucleic acids are increasingly recognized as therapeutic targets beyond conventional protein-centered drug discovery, yet accurate and efficient docking of small molecules to nucleic acid structures remains challenging. Physics-based docking methods often show limited accuracy and efficiency, whereas deep learning approaches are constrained by the scarcity of experimentally resolved nucleic acid-ligand complexes. Here, we present NucleoDock, a deep learning framework for nucleic acid-small molecule docking. To address data scarcity, NucleoDock combines physics-guided large-scale pretraining on millions of docking-generated synthetic complexes with fine-tuning on curated experimental co-crystal structures. It further integrates sequence- and structure-informed nucleotide representations with atomistic three-dimensional features to capture both biological context and binding-site geometry. A mixture density network-based geometric scoring head is used to model conditional interaction-distance distributions for pose ranking. On an external benchmark of 125 nucleic acid-ligand complexes, NucleoDock achieved a top-1 success rate of 56 percent at an RMSD cutoff of 2.0 Angstrom, outperforming rDock with 29 percent, while generating 100 poses in approximately 5 seconds per complex. Retrospective virtual screening on the ROBIN benchmark further showed improved early enrichment. NucleoDock represents a step toward bridging the methodological gap between protein- and nucleic acid-directed computational drug discovery.