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Peer-reviewade publikationer — 58718 artiklar

A Unified Generative-AI Framework for Smart Energy Infrastructure: Intelligent Gas Distribution, Utility Billing, Carbon Analytics, and Quantum-Inspired Optimisation
arXiv:2605.16232v1 Announce Type: new Abstract: The accelerating convergence of smart metering, generative artificial intelligence, and quantum-inspired combinatorial optimisation is reshaping how energy utilities manage physical infrastructure, customer engagement, and environmental accountability
DexJoCo: A Benchmark and Toolkit for Task-Oriented Dexterous Manipulation on MuJoCo
arXiv:2605.16257v1 Announce Type: new Abstract: Achieving human-level manipulation requires dexterous robotic hands capable of complex object interactions. Advancing such capabilities further demands standardized benchmarks for systematic evaluation. However, existing dexterous benchmarks lack tasks that reflect the unique manipulation capabilities of dexterous hands over parallel grippers, as well as comprehensive evaluation pipelines. In this paper, we present DexJoCo, a benchmark and toolkit for task-oriented dexterous manipulation, comprising 11 functionally grounded tasks that evaluate tool-use, bimanual coordination, long-horizon execution, and reasoning. We develop a low-cost data collection system and collect 1.1K trajectories across these tasks, with support for domain randomization to assess robustness. We benchmark modern models under diverse settings, including visual and dynamics randomization, multi-task training, and action-head adaptation. Through extensive empirical analysis, we identify several important insights and common limitations of current policies in dexterous manipulation, highlighting key challenges for future research in dexterous hand robot learning. Project page available at: https://dexjoco.github.io
Metropolis-Scale Road Network Datasets for Fine-Grained Urban Traffic Modeling
arXiv:2510.02278v2 Announce Type: replace Abstract: Modeling traffic dynamics is a critical challenge for urban computing, with applications from real-time traffic management to infrastructure planning. However, progress in this area is fundamentally constrained by a lack of large-scale public datasets that capture the subtle properties of real city road networks. Existing benchmarks are often limited by their small scale, reliance on sparse highway traffic sensors, absence of true road connectivity information, and lack of information about road properties. To address this issue, we introduce datasets representing fine-grained road networks of two major cities, which are unique in their scale (up to 100,000 road segments), use of real road connectivity, presence of time series measurements for both traffic speed and volume at a 5-minute resolution, and inclusion of rich static road attributes. These datasets enable in-depth analysis of spatiotemporal traffic patterns and can serve as benchmarks for various ML applications. As a practical demonstration of the utility of our datasets and the challenges they present, we use them for the task of traffic forecasting. The size of the real-world road networks in our datasets reveals significant scalability issues in current traffic forecasting models. To address them, we propose a simple and efficient baseline that not only scales to large road graphs but also achieves forecasting performance competitive with other established spatiotemporal models. We hope that the proposed datasets will serve as a foundational resource for a broad range of research in traffic modeling, urban computing, and smart city development.
Ti-iLSTM: A TinyDL Approach for Logic-Level Anomaly Detection in Industrial Water Treatment Systems
arXiv:2605.15874v1 Announce Type: new Abstract: Industrial Water Treatment Systems (IWTS) are safety critical cyber-physical infrastructures and due to increased connectivity, these systems are exposed to cyber threats that can manipulate process behaviour without creating obvious devices outliers. In particular, logic-layer deception anomalies can preserve numerically plausible measurements while breaking expected cause-and-effect relationships in the control process. These attacks are difficult to detect using threshold-based monitoring or require heavy server-oriented anomaly detection models. This paper explores the potential of Tiny Deep Learning (TinyDL) to provide lightweight on-device logic-level anomaly detection for resource constrained Programmable Logic Controllers (PLCs). We propose a novel framework, TinyDL-based incremental LSTM (Ti-iLSTM) which optimises the memory and space foot print of Long Short-Term Memory (LSTM), to detect logic-layer inconsistencies in Programmable Logic Controller (PLC) based Industrial Water Treatment Systems (IWTS). Experiments on the publicly available SWaT dataset show that the optimised model achieves high detection performance (F1-score=0.983 and ROC-AUC=0.998). A deployment-style validation on the WADI dataset confirms that the proposed light-weight framework remains applicable beyond a single dataset. The research demonstrates that combining logic-aware supervision with Tiny Deep Learning (TinyDL) sequence learning creates an efficient and accurate anomaly detection suitable for resource constrained Programmable Logic Controllers (PLCs) in industrial environments.
AOT-POT: Adaptive Operator Transformation for Large-Scale PDE Pre-training
arXiv:2605.15793v1 Announce Type: new Abstract: Pre-training neural operators on diverse partial differential equation (PDE) datasets has emerged as a promising direction for building general-purpose surrogate models in scientific machine learning. However, the inherent complexity and structural diversity of PDE solution operators make multi-PDE pre-training fundamentally challenging. Existing methods mainly address this by increasing model capacity, while leaving the target solution operators unchanged. Inspired by classical numerical analysis, we instead propose to transform complex and diverse solution operators into simpler, better-aligned forms that are easier to model jointly. Since the optimal transformation varies across PDE types, it must be adaptive and input-dependent, allowing a single neural operator to approximate an entire family of operators. We instantiate this idea as AOT-POT (adaptive operator-transformation for pre-training operator transformer), which expands hidden representations into multiple parallel streams, adaptively aggregates and redistributes them before and after each sub-layer, and mixes streams through Sinkhorn-projected doubly stochastic matrices for stable training. These mechanisms together reshape diverse solution operators into a unified form that can be effectively modeled by a single architecture. Empirically, AOT-POT achieves state-of-the-art performance on 12 PDE benchmarks with only 3\% additional parameters, reducing relative L2 error by up to 77.6\% (40.9\% on average). Fine-tuning AOT-POT further reduces L2 error by up to 92\% on in-domain PDEs and 89\% on out-of-domain PDEs (unseen types during pre-training), demonstrating that adaptive operator transformation is an effective and complementary direction for advancing PDE foundation models beyond simply scaling model capacity.
Designing for Robot Wranglers: A Synthesis of Literature and Practice
arXiv:2605.15892v1 Announce Type: new Abstract: Robots are increasingly present in human spaces, such as for conducting deliveries in hospitals, interacting with visitors at museums, and stocking items in warehouses. To ensure the seamless integration of robots into these spaces, a new role in human-robot interaction is emerging - the robot wrangler, namely an individual who is responsible for setting up, overseeing, and troubleshooting the robot. To understand the needs of this stakeholder, we conducted a scoping review that uncovered a typology of robot wrangling across the research literature, and discovered that wrangling is an umbrella term that collapses a highly complex and heterogeneous space of activities, often rendering this labor difficult to characterize and support. To further clarify and understand robot wrangling, we then reflected on our own firsthand and imagined experiences as robot wranglers within our own respective domains. Guided by the scoping review and our reflections, we devise a series of design implications for supporting wranglers directly as individuals and as members of a wider service ecology.
ADAPT: A Self-Calibrating Proactive Autoscaler for Container Orchestration
arXiv:2605.15788v1 Announce Type: new Abstract: Proactive autoscaling for containerized workloads depends on knowing the provisioning delay, i.e., the time between a scaling decision and the moment new capacity is ready to serve traffic. In practice, this cold-start duration can vary substantially across environments and even across consecutive scale-out events. We present ADAPT (Adaptive Duration Approximation for Predictive Timing), an online EWMA estimator that tracks coldstart duration at runtime. ADAPT feeds a dynamic planning horizon, FH-OPT, into a Model Predictive Controller (MPC) that optimizes replica counts over a rolling window. Together, these components form a closed-loop proactive autoscaling design that adapts its lookahead based on measured provisioning delay. Evaluated across three policies (MPC+LSTM, MPC+Prophet, HPA) and six workload archetypes with five random seeds, MPC+LSTM achieves below 5% SLA violation on all workloads, compared with 7-19% for reactive HPA and up to 28.7% for MPC+Prophet on bimodal traffic.
Uncertainty-Aware Wildfire Smoke Density Classification from Satellite Imagery via CBAM-Augmented EfficientNet with Evidential Deep Learning
arXiv:2605.15894v1 Announce Type: new Abstract: Rapid and accurate wildfire smoke severity assessment from satellite images is essential for emergency response, air quality modeling, and human health risk management. Existing deep learning approaches treat smoke detection as a binary task, producing point estimates without any measure of prediction confidence. We propose a probabilistic framework to categorize a satellite patch into Light, Moderate, and Heavy severity classes and to provide decomposed epistemic and aleatoric uncertainty in a single forward pass. Our architecture uses the backbone of a pre-trained EfficientNet-B3 and a CBAM module with an evidential deep learning head that predicts Dirichlet concentration parameters, directly estimating vacuity (epistemic) and dissonance (aleatoric) without Monte Carlo sampling. Evaluated on 16,298 real satellite patches derived from the Wildfire Detection dataset, our model achieves 93.8% weighted test accuracy (91.1% unweighted) with ECE=0.0274. Selective prediction retaining the most certain 50% of patches achieves 96.7% accuracy. As image quality degrades, uncertainty increases monotonically, and vacuity is a practical scan quality measure. The Moderate class represents transitional smoke conditions that exhibit the highest epistemic uncertainty (mean vacuity = 0.187), confirming the model correctly identifies ambiguous smoke boundary regions. CBAM spatial attention maps localize to structurally distinctive scene regions, and t-SNE demonstrates the clear cluster separation of Light and Heavy smoke.
ForMaT: Dataset for Visually-Grounded Multilingual PDF Translation
arXiv:2605.15794v1 Announce Type: new Abstract: We present ForMaT (Format-Preserving Multilingual Translation), a parallel corpus of 3,956 PDFs across 15 language pairs that preserves original layout metadata proposed for multimodal machine translation. To ensure structural diversity in the dataset, we employ K-Medoids sampling over 45 geometric features, capturing complex elements like nested tables and formulas to focus only on visually diverse PDF documents. Our evaluation reveals that current MT systems struggle with spatial grounding and geometric synchronization, often losing the link between text and its visual context. ForMaT provides a benchmark for developing layout-aware translation models that integrate visual and textual context for high-fidelity document reconstruction.
Optimized near-field optical response via adaptive tip illumination
arXiv:2605.15900v1 Announce Type: new Abstract: The performance of tip-enhanced optical microscopy is often limited by inefficient coupling of the excitation field to the plasmonic tip apex, as well as by thermal drift and optical aberrations. Here, we demonstrate that adaptive wavefront shaping based on Zernike mode provides a practical approach to achieving robust near-field optimisation at the tip apex. Using a sequential feedback algorithm, initially using the near-field signal, we narrow the illumination point-spread function and suppress sidelobes. This demonstrates that Zernike-mode control can be used for both aberration correction and field engineering. In tip-enhanced Raman measurements of a Janus MoSSe monolayer, conventional near-field optimisation increases the signal intensity by around 1.4 fold. A second optimisation step based directly on the Raman-band intensity yields a further 5 to 15 fold enhancement, depending on the specific tips used. These results establish a systematic, optics-based strategy for optimising tip fields, providing a transferable framework for improving tip-enhanced and related near-field spectroscopies.
From Layers to Networks: Comparing Neural Representations via Diffusion Geometry
arXiv:2605.15901v1 Announce Type: new Abstract: Diffusion geometry is a manifold learning framework that uses random walks defined by Markov transition matrices to characterize the geometry of a dataset at multiple scales. We use diffusion geometry for neural representations, incorporating tools from multi-view learning into this field for the first time. Our key technical observation is that a broad class of similarity measures based on representational similarity matrices (RSMs) admits a closed-form equivalent formulation in terms of row-stochastic Markov matrices, opening the door to manipulations from diffusion geometry. As a first application, we develop multi-scale variants of Centered Kernel Alignment and Distance Correlation, which utilise the $t^{th}$ power of the underlying transition matrix to probe the data geometry at adjustable diffusion scales. Going further, we introduce variants of these measures which fuse the Markov matrices of several layers via alternating diffusion into a single operator that captures the network's joint sample geometry, allowing similarity to be computed across multiple layers and shifting the comparison from layer-to-layer to network-to-network. We perform extensive numerical experiments, evaluating our measures on the Representational Similarity (ReSi) benchmark comprising 14 architectures trained on 7 datasets across three different domains. Our methods achieve SoTA results in accuracy and output correlation for both language and vision tasks across different models. We furthermore show SoTA performance on an additional benchmark evaluating on out-of-distribution data.
Whole-body motion planning and safety-critical control for aerial manipulation
arXiv:2511.02342v3 Announce Type: replace Abstract: Aerial manipulation combines the maneuverability of multirotors with the dexterity of robotic arms to perform complex tasks in cluttered spaces. Yet planning safe, dynamically feasible trajectories remains difficult due to whole-body collision avoidance and the conservativeness of common geometric abstractions such as bounding boxes or ellipsoids. We present a whole-body motion planning and safety-critical control framework for aerial manipulators built on superquadrics (SQs). Using an SQ-plus-proxy representation, we model both the vehicle and obstacles with differentiable, geometry-accurate surfaces. Leveraging this representation, we introduce a maximum-clearance planner that fuses Voronoi diagrams with an equilibrium-manifold formulation to generate smooth, collision-aware trajectories. We further design a safety-critical controller that jointly enforces thrust limits and collision avoidance via high-order control barrier functions. In simulation, our approach outperforms sampling-based planners in cluttered environments, producing faster, safer, and smoother trajectories and exceeding ellipsoid-based baselines in geometric fidelity. Actual experiments on a physical aerial-manipulation platform confirm feasibility and robustness, demonstrating consistent performance across simulation and hardware settings. The video can be found at https://youtu.be/hQYKwrWf1Ak.
A Generative AI Framework for Intelligent Utility Billing CO 2 Analytics and Sustainable Resource Optimisation
arXiv:2605.16250v1 Announce Type: new Abstract: Distribution utilities are now expected to deliver bills that customers can actually read attach a defensible carbon number to every kWh sold and schedule load against grid stress and emissions constraints We propose an end-to-end framework that unifies four production-grade capabilities under one architectural roof a generative-AI agent that drafts each customers natural-language billing statement from structured numeric inputs under a constrained decoding policy a transformer-based forecaster that supplies the day-ahead consumption estimate with calibrated quantile bands
Few-Shot Large Language Models for Actionable Triage Categorization of Online Patient Inquiries
arXiv:2605.15680v1 Announce Type: new Abstract: Online patient inquiries are often informal, incomplete, and written before professional assessment, yet they must still be routed to an appropriate level of clinical follow-up. We study this as a four-class actionable triage task -- self-care, schedule-visit, urgent-clinician-review, or emergency-referral, and ask whether prompted large language models (LLMs) can support such routing under low-resource labeling conditions. Using the public HealthCareMagic-100K corpus, we construct a 300-example human calibrated gold evaluation set, a 700-example auto-labeled silver training set, and a 40-example few-shot pool. We compare Term Frequency-Inverse Document Frequency (TF-IDF) and Bidirectional Encoder Representations from Transformers for Biomedical Text Mining (BioBERT) baselines train on silver labels against six prompted LLMs under 0-shot, 4-shot, and 12-shot conditions respectively. Accordingly, we evaluate with macro-$F_1$ alongside safety-aware metrics, including emergency-recall, under-triage rate, and severe under-triage rate. The strongest LLM (Claude Haiku 4.5, 12-shot) reaches macro-$F_1$ 0.475, exceeding the best supervised baseline (BioBERT, 0.378) on point estimate, with overlapping confidence intervals. Few-shot prompting and two-model agreement help in label-dependent ways: self-care agreement is reliable, urgent-clinician-review is not. We conclude that LLMs can support triage prioritization and selective human review, but not autonomous deployment.
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.
SGNO: Spectral Generator Neural Operators for Stable Long Horizon PDE Rollouts
arXiv:2602.18801v2 Announce Type: replace Abstract: Autoregressive neural PDE surrogates predict future states by repeatedly applying a learned one-step operator. This is a simple and widely used method, but small one-step errors can accumulate during long rollouts. The resulting drift often appears as spectral amplitude distortion, phase misalignment, and nonlinear mode-interaction error. These effects are especially important for time-dependent PDEs with clear Fourier structure. We introduce the Spectral Generator Neural Operator (SGNO), a structured autoregressive neural operator for long-horizon PDE forecasting. SGNO organizes each learned one-step map as a structured spectral evolution update. A real-valued nonpositive diagonal generator provides a gain-controlled spectral backbone, while a learned correction pathway with complex-valued spectral mixing completes the residual evolution. This design gives the autoregressive step an evolution-like structure while retaining the flexibility needed for dissipative, dispersive, transport-dominated, and nonlinear PDEs. SGNO is designed for periodic linear and semilinear evolution PDEs with Fourier multiplier linear dynamics. Across ten mechanism-matched APEBench tasks spanning this regime, SGNO consistently outperforms strong single-step autoregressive baselines in long-horizon rollout accuracy, reducing GMean100 by a median of 74.8% relative to the strongest available non-SGNO baseline, with per-task reductions ranging from 13.6% to 92.9%. The gains are strongest on dispersive and transport-dominated tasks, as well as tasks involving nonlinear closure and mode coupling. Spectral diagnostics show lower spectral energy error and improved rollout-level phase fidelity. Ablations show that the constrained generator, the structured update, and the learned correction pathway each contribute to performance. The code is available at https://github.com/cruiseresearchgroup/SGNO.
Improving Cross-Cultural Survey Simulation with Calibrated Value Personas
arXiv:2605.16193v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used to simulate human opinions and survey responses, but their ability to reproduce population responses across cultures remains limited. Existing persona-based prompting methods typically rely on sociodemographic or personality traits, which are only indirect proxies for the values that shape human responses. We propose a value-based persona construction method that derives textual descriptors from survey responses capturing core cultural dimensions. By sampling value profiles from target populations and aggregating LLM responses across personas, we obtain population-level predictions grounded in observed value distributions. We further introduce a calibration procedure that improves response diversity while preserving estimated opinions. We show that our approach reduces prediction error across countries, with the largest improvements observed in underrepresented populations. This substantially narrows the performance gap between countries aligned with dominant LLM priors and those that are less represented in training data, while also yielding response distributions that closely match human diversity.
FlipAttack: Jailbreak LLMs via Flipping
arXiv:2410.02832v2 Announce Type: replace Abstract: This paper proposes a simple yet effective jailbreak attack named FlipAttack against black-box LLMs. First, from the autoregressive nature, we reveal that LLMs tend to understand the text from left to right and find that they struggle to comprehend the text when noise is added to the left side. Motivated by these insights, we propose to disguise the harmful prompt by constructing left-side noise merely based on the prompt itself, then generalize this idea to 4 flipping modes. Second, we verify the strong ability of LLMs to perform the text-flipping task, and then develop 4 variants to guide LLMs to denoise, understand, and execute harmful behaviors accurately. These designs keep FlipAttack universal, stealthy, and simple, allowing it to jailbreak black-box LLMs within only 1 query. Experiments on 8 LLMs demonstrate the superiority of FlipAttack. Remarkably, it achieves $\sim$98\% attack success rate on GPT-4o, and $\sim$98\% bypass rate against 5 guardrail models on average. The codes are available at GitHub\footnote{https://github.com/yueliu1999/FlipAttack}.
ScreenSearch: Uncertainty-Aware OS Exploration
arXiv:2605.16024v1 Announce Type: new Abstract: Desktop GUI agents operate under partial observability: visually similar screens can correspond to different underlying workflow states, so locally plausible actions can lead to sharply different outcomes. We frame this as a problem of computer/OS state exploration, where effective behavior requires both expanding the reachable frontier and reducing ambiguity before committing. We present ScreenSearch, a system that combines structural screen retrieval and deduplication with an ambiguity-aware PUCT graph-bandit for large-scale desktop exploration. The retrieval layer converts UIA trees into location-aware structural features, indexes related screens through sparse token search and metadata filters, and maintains a shared deduplicated state graph across VM workers. On top of this graph, we define a scalable ambiguity signal based on matched-action outcome dispersion. If similar screens produce different next states under the same action signature, the state should be probed further rather than treated as resolved. We use this signal together with frontier rewards to drive large-scale exploration and replay-start policy evaluation over the shared graph. Across 11 desktop applications, ScreenSearch collects over 1M screenshots and over 30K deduplicated states, yielding large exploration corpora with substantial cross-application and within-application diversity. On a fixed replay-start slice, we observe a clear novelty--ambiguity trade-off: some policies reduce ambiguity quickly while discovering little frontier. Ambiguity reduction alone is therefore not a sufficient exploration objective. Appendix ablations show that stronger proposal priors can materially improve unique-state discovery during corpus building. These results suggest that state identity, proposal quality, and ambiguity-aware search all matter when deciding when to probe and when to commit.
RaPD: Resolution-Agnostic Pixel Diffusion via Semantics-Enriched Implicit Representations
arXiv:2605.15908v1 Announce Type: new Abstract: Natural images are continuous, yet most generative models synthesize them on discrete grids, limiting resolution-flexible generation. Continuous neural fields enable resolution-free rendering, but prior methods introduce continuity only at the decoding stage as an interpolation module, leaving the generative latent space discretized and reconstruction-oriented. We propose RaPD (Resolution-agnostic Pixel Diffusion), which performs diffusion in a continuous Neural Image Field (NIF) latent space. RaPD bridges this reconstruction-generation gap with Semantic Representation Guidance for generation-aware latent learning and a Coordinate-Queried Attention Renderer for coordinate-conditioned, scale-aware rendering. A single denoised latent can be rendered at arbitrary resolutions by changing only the query coordinates, keeping diffusion cost fixed. Experiments demonstrate superior generation quality and resolution scalability.
In-situ correlative SEM/KPFM for semiconductor devices and 2D heterostructures
arXiv:2605.16062v1 Announce Type: cross Abstract: Correlative nanoscale surface characterization benefits from simultaneously measuring electronic and structural properties in the same environment, a capability that is essential for modern-day materials science and semiconductor failure analysis. In-situ AFM-SEM measurements facilitated by self-sensing cantilevers offer great potential here; however, they are limited due to their inherent capacitive crosstalk. Here, we demonstrate for the first time the in-situ implementation of single-pass heterodyne Kelvin probe force microscopy inside a scanning electron microscope, using piezo-resistive cantilevers. We overcome the capacitive crosstalk prevalent in piezo-resistive cantilevers by demodulating excitation and detection to simultaneously map surface topography and contact potential difference for correlation with compositional analysis. We systematically compare different operational modes of this heterodyne technique, elucidating their spatial resolution, signal sensitivity, and signal-to-noise ratio. The integrated approach yields exceptional signal quality and reveals how electron beam scan parameters can directly influence surface potential contrast. We demonstrate this correlative analysis workflow on two-dimensional heterostructures and semiconductor circuits. This work establishes a robust and versatile correlative imaging mode for in-situ Kelvin force and topography imaging inside a scanning electron microscope for next-generation semiconductor device analysis and materials science.
Grokking as Structural Inference: Transformers Need Bayesian Lottery Tickets
arXiv:2605.15787v1 Announce Type: new Abstract: Why does a Transformer that has memorized its training set wait thousands of steps before it generalizes? Existing accounts locate this delay in norm minimization, feature emergence, or the late discovery of sparse subnetworks. These explanations capture important parts of the transition, but ignore a constraint unique to attention-based models: if attention discards an informative token, no bounded downstream computation can recover it. We formalize attention as an implicit Bayesian posterior over the task dependency graph and prove that generalization requires two separable conditions: a familiar Goldilocks bound on MLP capacity, coinciding with norm-based theories of grokking, and a novel Bayesian structural condition requiring attention to place sufficient mass on every informative token. This decoupling explains delayed generalization as delayed structural inference. Early in training, the MLP memorizes through unaligned features, drives the cross-entropy loss near zero, and thereby starves attention of structural gradient. Weight decay must then erode memorization before the missing graph becomes learnable, yielding the known inverse-weight-decay delay, which we derive as a structural waiting time. We then prove that this explaining-away delay can be bypassed by a KL-based structural intervention, yielding an inverse-intervention-strength scaling law for the grokking time. Experiments on algorithmic sequence tasks isolate structure from capacity and show that this Bayesian ticket matches or outperforms lottery-ticket transfer.
Pretrained Model Representations as Acquisition Signals for Active Learning of MLIPs
arXiv:2605.03964v2 Announce Type: replace Abstract: Training machine learning interatomic potentials (MLIPs) for reactive chemistry is often bottlenecked by the high cost of quantum chemical labels and the scarcity of transition state configurations in candidate pools. Active learning (AL) can mitigate these costs, but its effectiveness hinges on the acquisition rule. We investigate whether the latent space of a pretrained MLIP already contains the information necessary for effective acquisition, eliminating the need for auxiliary uncertainty heads, Bayesian training and fine-tuning, or committee ensembles. We introduce two acquisition signals derived directly from a pretrained MACE potential: a finite-width neural tangent kernel (NTK) and an activation kernel built from hidden latent space features. On reactive-chemistry benchmarks, both kernels consistently outperform fixed-descriptor baselines, committee disagreement, and random acquisition, reducing the data required to reach performance targets by an average of 38% for energy error and 28% for force error. We further show that the pretrained model induces similarity spaces that preserve chemically meaningful structure and provide more reliable residual uncertainty estimates than randomly initialised or fixed-descriptor-based kernels. Our results suggest that pretraining aligns latent-space geometry with model error, yielding a practical and sufficient acquisition signal for reactive MLIP fine-tuning.
ITGPT: Generative Pretraining on Irregular Timeseries
arXiv:2605.16069v1 Announce Type: new Abstract: Timeseries regression models often struggle to leverage large volumes of labeled multimodal data, particularly when the data are irregularly sampled or contain missing values. This is common in domains like healthcare and predictive maintenance, where data are collected from unreliable sources, and labeling requires expert knowledge or costly equipments. Transformer-based large language models have proven effective on structured data such as text through self-supervised learning (SSL) and generative pretraining (GPT) frameworks. However, such models lack the flexibility to efficiently process irregularly sampled multimodal timeseries data. In this paper, we introduce ITGPT, an attention-based architecture designed for handling multimodal, irregularly sampled timeseries by allowing training with both SSL losses and GPT-like objectives. We evaluate its performance on a healthcare task with the TIHM dataset, and a predictive maintenance task with the CompX dataset. Our results demonstrate that ITGPT achieves state-of-the-art performance without requiring resampling, feature fusion or explicit data imputation. Furthermore, when labels are scarce, ITGPT effectively leverages unlabeled data through SSL and GPT training, outperforming the purely supervised approach. This represents an important step towards efficiently using large and unstructured timeseries datasets for practical inference tasks.
Vector-valued self-normalized concentration inequalities beyond sub-Gaussianity
arXiv:2511.03606v2 Announce Type: replace-cross Abstract: The study of self-normalized processes plays a crucial role in a wide range of applications, from sequential decision-making to econometrics. While the behavior of self-normalized concentration has been widely investigated for scalar-valued processes, vector-valued processes remain comparatively underexplored, especially outside of the sub-Gaussian framework. In this contribution, we provide concentration bounds for self-normalized processes with light tails beyond sub-Gaussianity (such as Bennett or Bernstein bounds). We illustrate the relevance of our results in the context of online linear regression, with applications in (kernelized) linear bandits.