OpenRaiser/Intern-Atlas huggingface dataset:
GICDM: Mitigating Hubness for Reliable Distance-Based Generative Model Evaluation
Venue: arXiv cs.LG 2026
Year: 2026

Generative model evaluation commonly relies on high-dimensional embedding spaces to compute distances between samples. We show that dataset representations in these spaces are affected by the hubness phenomenon, which distorts nearest neighbor relationships and biases distance-based metrics. Building on the classical Iterative Contextual Dissimilarity Measure (ICDM), we introduce Generative ICDM (GICDM), a method to correct neighborhood estimation for both real and generated data. We introduce a multi-scale extension to improve empirical behavior. Extensive experiments on synthetic and real benchmarks demonstrate that GICDM resolves hubness-induced failures, restores reliable metric behavior, and improves alignment with human judgment.
Beyond SGD, Without SVD: Proximal Subspace Iteration LoRA with Diagonal Fractional K-FAC
Venue: arXiv cs.LG 2026
Year: 2026

Low-Rank Adaptation (LoRA) fine-tunes large models by learning low-rank updates on top of frozen weights, dramatically reducing trainable parameters and memory. In this work, we address the gap between training with full steps with low-rank projections (SVDLoRA) and LoRA fine-tuning. We propose LoRSum, a memory-efficient subroutine that closes this gap for gradient descent by casting LoRA optimization as a proximal sub-problem and solving it efficiently with alternating least squares updates, which we prove to be an implicit block power method. We recover several recently proposed preconditioning methods for LoRA as special cases, and show that LoRSum can also be used for updating a low-rank momentum. In order to address full steps with preconditioned gradient descent, we propose a scaled variant of LoRSum that uses structured metrics such as K-FAC and Shampoo, and we show that storing the diagonal of these metrics still allows them to perform well while remaining memory-efficient. Experiments on a synthetic task, CIFAR-100, and language-model fine-tuning on GLUE, SQuAD v2, and WikiText-103, show that our method can match or improve LoRA baselines given modest compute overhead, while avoiding full-matrix SVD projections and retaining LoRA-style parameter efficiency.
Synthesis and Verification of Transformer Programs
Venue: arXiv cs.LG 2026
Year: 2026

C-RASP is a simple programming language that was recently shown to capture concepts expressible by transformers. In this paper, we develop new algorithmic techniques for automatically verifying C-RASPs. To this end, we establish a connection to the verification of synchronous dataflow programs in Lustre, which enables us to exploit state-of-the-art model checkers utilizing highly optimized SMT-solvers. Our second contribution addresses learning a C-RASP program in the first place. To this end, we provide a new algorithm for learning a C-RASP from examples using local search. We demonstrate efficacy of our implementation for benchmarks of C-RASPs in the literature, in particular in connection to the following applications: (1) transformer program optimization, and (2) constrained learning of transformer programs (based on a partial specification).
Team of Thoughts: Efficient Test-time Scaling of Agentic Systems through Orchestrated Tool Calling
Venue: arXiv cs.CL 2026
Year: 2026

Existing Multi-Agent Systems (MAS) typically rely on static, homogeneous model configurations, limiting their ability to exploit the distinct strengths of differently post-trained models. To address this, we introduce Team-of-Thoughts, a novel MAS architecture that leverages the complementary capabilities of heterogeneous agents via an orchestrator-tool paradigm. Our framework introduces two key mechanisms to optimize performance: (1) an orchestrator calibration scheme that identifies models with superior coordination capabilities, and (2) a self-assessment protocol where tool agents profile their own domain expertise to account for variations in post-training skills. During inference, the orchestrator dynamically activates the most suitable tool agents based on these proficiency profiles. Experiments on five reasoning and code generation benchmarks show that Team-of-Thoughts delivers consistently superior task performance. Notably, on AIME24 and LiveCodeBench, our approach achieves accuracies of 96.67% and 72.53%, respectively, substantially outperforming homogeneous role-play baselines, which score 80% and 65.93%.
Software-heavy Asset Administration Shells: Classification and Use Cases
Venue: arXiv cs.SE 2026
Year: 2026

The Asset Administration Shell (AAS) is an emerging technology for the implementation of digital twins in the field of manufacturing. Software is becoming increasingly important, not only in general but specifically in relation to manufacturing, especially with regard to digital manufacturing and a shift towards the usage of artificial intelligence. This increases the need not only to model software, but also to integrate services directly into the AAS. The existing literature contains individual solutions to implement such software-heavy AAS. However, there is no systematic analysis of software architectures that integrate software services directly into the AAS. This paper aims to fill this research gap and differentiate architectures based on software quality criteria as well as typical manufacturing use cases. This work may be considered as an interpretation guideline for software-heavy AAS, both in academia and for practitioners.
Small molecule retrieval from tandem mass spectrometry: what are we optimizing for?
Venue: arXiv cs.LG 2026
Year: 2026

One of the central challenges in the computational analysis of liquid chromatography-tandem mass spectrometry (LC-MS/MS) data is to identify the compounds underlying the output spectra. In recent years, this problem is increasingly tackled using deep learning methods. A common strategy involves predicting a molecular fingerprint vector from an input mass spectrum, which is then used to search for matches in a chemical compound database. While various loss functions are employed in training these predictive models, their impact on model performance remains poorly understood. In this study, we investigate commonly used loss functions, deriving novel regret bounds that characterize when Bayes-optimal decisions for these objectives must diverge. Our results reveal a fundamental trade-off between the two objectives of (1) fingerprint similarity and (2) molecular retrieval. Optimizing for more accurate fingerprint predictions typically worsens retrieval results, and vice versa. Our theoretical analysis shows this trade-off depends on the similarity structure of candidate sets, providing guidance for loss function and fingerprint selection.
Disproving (Positive) Almost-Sure Termination of Probabilistic Term Rewriting via Random Walks
Venue: arXiv cs.LO 2026
Year: 2026

In recent years, numerous techniques were developed to automatically prove termination of different kinds of probabilistic programs. However, there are only few automated methods to disprove their termination. In this paper, we present the first techniques to automatically disprove (positive) almost-sure termination of probabilistic term rewrite systems. Disproving termination of non-probabilistic systems requires finding a finite representation of an infinite computation, e.g., a loop of the rewrite system. We extend such qualitative techniques to probabilistic term rewriting, where a quantitative analysis is required. In addition to the existence of a loop, we have to count the number of such loops in order to embed suitable random walks into a computation, thereby disproving termination. To evaluate their power, we implemented all our techniques in the tool AProVE.
Reinforcement Learning for Parameterized Quantum State Preparation: A Comparative Study
Venue: arXiv cs.LG 2026
Year: 2026

We extend directed quantum circuit synthesis (DQCS) with reinforcement learning from purely discrete gate selection to parameterized quantum state preparation with continuous single-qubit rotations \(R_x\), \(R_y\), and \(R_z\). We compare two training regimes: a one-stage agent that jointly selects the gate type, the affected qubit(s), and the rotation angle; and a two-stage variant that first proposes a discrete circuit and subsequently optimizes the rotation angles with Adam using parameter-shift gradients. Using Gymnasium and PennyLane, we evaluate Proximal Policy Optimization (PPO) and Advantage Actor--Critic (A2C) on systems comprising two to ten qubits and on targets of increasing complexity with \(λ\) ranging from one to five. Whereas A2C does not learn effective policies in this setting, PPO succeeds under stable hyperparameters (one-stage: learning rate approximately \(5\times10^{-4}\) with a self-fidelity-error threshold of 0.01; two-stage: learning rate approximately \(10^{-4}\)). Both approaches reliably reconstruct computational basis states (between 83\% and 99\% success) and Bell states (between 61\% and 77\% success). However, scalability saturates for \(λ\) of approximately three to four and does not extend to ten-qubit targets even at \(λ=2\). The two-stage method offers only marginal accuracy gains while requiring around three times the runtime. For practicality under a fixed compute budget, we therefore recommend the one-stage PPO policy, provide explicit synthesized circuits, and contrast with a classical variational baseline to outline avenues for improved scalability.
Transfer Learning of Linear Regression with Multiple Pretrained Models: Benefiting from More Pretrained Models via Overparameterization Debiasing
Venue: arXiv cs.LG 2026
Year: 2026

We study transfer learning for a linear regression task using several least-squares pretrained models that can be overparameterized. We formulate the target learning task as optimization that minimizes squared errors on the target dataset with penalty on the distance of the learned model from the pretrained models. We analytically formulate the test error of the learned target model and provide the corresponding empirical evaluations. Our results elucidate when using more pretrained models can improve transfer learning. Specifically, if the pretrained models are overparameterized, using sufficiently many of them is important for beneficial transfer learning. However, the learning may be compromised by overparameterization bias of pretrained models, i.e., the minimum $\ell_2$-norm solution's restriction to a small subspace spanned by the training examples in the high-dimensional parameter space. We propose a simple debiasing via multiplicative correction factor that can reduce the overparameterization bias and leverage more pretrained models to learn a target predictor.
Vulnerability Analysis of Safe Reinforcement Learning via Inverse Constrained Reinforcement Learning
Venue: arXiv cs.LG 2026
Year: 2026

Safe reinforcement learning (Safe RL) aims to ensure policy performance while satisfying safety constraints. However, most existing Safe RL methods assume benign environments, making them vulnerable to adversarial perturbations commonly encountered in real-world settings. In addition, existing gradient-based adversarial attacks typically require access to the policy's gradient information, which is often impractical in real-world scenarios. To address these challenges, we propose an adversarial attack framework to reveal vulnerabilities of Safe RL policies. Using expert demonstrations and black-box environment interaction, our framework learns a constraint model and a surrogate (learner) policy, enabling gradient-based attack optimization without requiring the victim policy's internal gradients or the ground-truth safety constraints. We further provide theoretical analysis establishing feasibility and deriving perturbation bounds. Experiments on multiple Safe RL benchmarks demonstrate the effectiveness of our approach under limited privileged access.
RIDER: 3D RNA Inverse Design with Reinforcement Learning-Guided Diffusion
Venue: arXiv cs.LG 2026
Year: 2026

The inverse design of RNA three-dimensional (3D) structures is crucial for engineering functional RNAs in synthetic biology and therapeutics. While recent deep learning approaches have advanced this field, they are typically optimized and evaluated using native sequence recovery, which is a limited surrogate for structural fidelity, since different sequences can fold into similar 3D structures and high recovery does not necessarily indicate correct folding. To address this limitation, we propose RIDER, an RNA Inverse DEsign framework with Reinforcement learning that directly optimizes for 3D structural similarity. First, we develop and pre-train a GNN-based generative diffusion model conditioned on the target 3D structure, achieving a 9% improvement in native sequence recovery over state-of-the-art methods. Then, we fine-tune the model with an improved policy gradient algorithm using four task-specific reward functions based on 3D self-consistency metrics. Experimental results show that RIDER improves structural similarity by over 100% across all metrics and discovers designs that are distinct from native sequences.
Automated Extraction of Mechanical Constitutive Models from Scientific Literature using Large Language Models: Applications in Cultural Heritage Conservation
Venue: arXiv cs.DB 2026
Year: 2026

The preservation of cultural heritage is increasingly transitioning towards data-driven predictive maintenance and "Digital Twin" construction. However, the mechanical constitutive models required for high-fidelity simulations remain fragmented across decades of unstructured scientific literature, creating a "Data Silo" that hinders conservation engineering. To address this, we present an automated, two-stage agentic framework leveraging Large Language Models (LLMs) to extract mechanical constitutive equations, calibrated parameters, and metadata from PDF documents. The workflow employs a resource-efficient "Gatekeeper" agent for relevance filtering and a high-capability "Analyst" agent for fine-grained extraction, featuring a novel Context-Aware Symbolic Grounding mechanism to resolve mathematical ambiguities. Applied to a corpus of over 2,000 research papers, the system successfully isolated 113 core documents and constructed a structured database containing 185 constitutive model instances and over 450 calibrated parameters. The extraction precision reached 80.4\%, establishing a highly efficient "Human-in-the-loop" workflow that reduces manual data curation time by approximately 90\%. We demonstrate the system's utility through a web-based Knowledge Retrieval Platform, which enables rapid parameter discovery for computational modeling. This work transforms scattered literature into a queryable digital asset, laying the data foundation for the "Digital Material Twin" of built heritage.
Predicting The Cop Number Using Machine Learning
Venue: arXiv cs.LG 2026
Year: 2026

Cops and Robbers is a pursuit evasion game played on a graph, first introduced independently by Quilliot \cite{quilliot1978jeux} and Nowakowski and Winkler \cite{NOWAKOWSKI1983235} over four decades ago. A main interest in recent the literature is identifying the cop number of graph families. The cop number of a graph, $c(G)$, is defined as the minimum number of cops required to guarantee capture of the robber. Determining the cop number is computationally difficult and exact algorithms for this are typically restricted to small graph families. This paper investigates whether classical machine learning methods and graph neural networks can accurately predict a graph's cop number from its structural properties and identify which properties most strongly influence this prediction. Of the classical machine learning models, tree-based models achieve high accuracy in prediction despite class imbalance, whereas graph neural networks achieve comparable results without explicit feature engineering. The interpretability analysis shows that the most predictive features are related to node connectivity, clustering, clique structure, and width parameters, which aligns with known theoretical results. Our findings suggest that machine learning approaches can be used in complement with existing cop number algorithms by offering scalable approximations where computation is infeasible.
FlowPrefill: Decoupling Preemption from Prefill Scheduling Granularity to Mitigate Head-of-Line Blocking in LLM Serving
Venue: arXiv cs.DC 2026
Year: 2026

The growing demand for large language models (LLMs) requires serving systems to handle many concurrent requests with diverse service level objectives (SLOs). This exacerbates head-of-line (HoL) blocking during the compute-intensive prefill phase, where long-running requests monopolize resources and delay higher-priority ones, leading to widespread time-to-first-token (TTFT) SLO violations. While chunked prefill enables interruptibility, it introduces an inherent trade-off between responsiveness and throughput: reducing chunk size improves response latency but degrades computational efficiency, whereas increasing chunk size maximizes throughput but exacerbates blocking. This necessitates an adaptive preemption mechanism. However, dynamically balancing execution granularity against scheduling overheads remains a key challenge. In this paper, we propose FlowPrefill, a TTFT-goodput-optimized serving system that resolves this conflict by decoupling preemption granularity from scheduling frequency. To achieve adaptive prefill scheduling, FlowPrefill introduces two key innovations: 1) Operator-Level Preemption, which leverages operator boundaries to enable fine-grained execution interruption without the efficiency loss associated with fixed small chunking; and 2) Event-Driven Scheduling, which triggers scheduling decisions only upon request arrival or completion events, thereby supporting efficient preemption responsiveness while minimizing control-plane overhead. Evaluation on real-world production traces shows that FlowPrefill improves maximum goodput by up to 5.6$\times$ compared to state-of-the-art systems while satisfying heterogeneous SLOs.
A Systematic Evaluation of Sample-Level Tokenization Strategies for MEG Foundation Models
Venue: arXiv cs.LG 2026
Year: 2026

Recent success in natural language processing has motivated growing interest in large-scale foundation models for neuroimaging data. Such models often require discretization of continuous neural time series data, a process referred to as 'tokenization'. However, the impact of different tokenization strategies for neural data is currently poorly understood. In this work, we present a systematic evaluation of sample-level tokenization strategies for transformer-based large neuroimaging models (LNMs) applied to magnetoencephalography (MEG) data. We compare learnable and non-learnable tokenizers by examining their signal reconstruction fidelity and their impact on subsequent foundation modeling performance (token prediction, biological plausibility of generated data, preservation of subject-specific information, and performance on downstream tasks). For the learnable tokenizer, we introduce a novel approach based on an autoencoder. Experiments were conducted on three publicly available MEG datasets spanning different acquisition sites, scanners, and experimental paradigms. Our results show that both learnable and non-learnable discretization schemes achieve high reconstruction accuracy and broadly comparable performance across most evaluation criteria, suggesting that simple fixed sample-level tokenization strategies can be used in the development of neural foundation models. The code is available at https://github.com/OHBA-analysis/Cho2026_Tokenizer.
An $n^{2+o(1)}$ Time Algorithm for Single-Source Negative Weight Shortest Paths
Venue: arXiv cs.DS 2026
Year: 2026

We present a randomized algorithm for the single-source shortest paths (SSSP) problem on directed graphs with arbitrary real-valued edge weights that runs in $n^{2+o(1)}$ time with high probability. This result yields the first almost linear-time algorithm for the problem on dense graphs ($m = Θ(n^2)$) and improves upon the best previously known bounds for moderately dense graphs ($m = ω(n^{1.306})$). Our approach builds on the hop-reduction via shortcutting framework introduced by Li, Li, Rao, and Zhang (2025), which iteratively augments the graph with shortcut edges to reduce the negative hop count of shortest paths. The central computational bottleneck in prior work is the cost of explicitly constructing these shortcuts in dense regions. We overcome this by introducing a new compression technique using auxiliary Steiner vertices. Specifically, we construct these vertices to represent large neighborhoods compactly in a structured manner, allowing us to efficiently generate and propagate shortcuts while strictly controlling the growth of vertex degrees and graph size.
Agent Skill Framework: Perspectives on the Potential of Small Language Models in Industrial Environments
Venue: arXiv cs.AI 2026
Year: 2026

Agent Skill framework, now widely and officially supported by major players such as GitHub Copilot, LangChain, and OpenAI, performs especially well with proprietary models by improving context engineering, reducing hallucinations, and boosting task accuracy. Based on these observations, an investigation is conducted to determine whether the Agent Skill paradigm provides similar benefits to small language models (SLMs). This question matters in industrial scenarios where continuous reliance on public APIs is infeasible due to data-security and budget constraints requirements, and where SLMs often show limited generalization in highly customized scenarios. This work introduces a formal mathematical definition of the Agent Skill process, followed by a systematic evaluation of language models of varying sizes across multiple use cases. The evaluation encompasses two open-source tasks and a real-world insurance claims data set. The results show that tiny models struggle with reliable skill selection, while moderately sized SLMs (approximately 12B - 30B) parameters) benefit substantially from the Agent Skill approach. Moreover, code-specialized variants at around 80B parameters achieve performance comparable to closed-source baselines while improving GPU efficiency. Collectively, these findings provide a comprehensive and nuanced characterization of the capabilities and constraints of the framework, while providing actionable insights for the effective deployment of Agent Skills in SLM-centered environments.
PredMapNet: Future and Historical Reasoning for Consistent Online HD Vectorized Map Construction
Venue: arXiv cs.CV 2026
Year: 2026

High-definition (HD) maps are crucial to autonomous driving, providing structured representations of road elements to support navigation and planning. However, existing query-based methods often employ random query initialization and depend on implicit temporal modeling, which lead to temporal inconsistencies and instabilities during the construction of a global map. To overcome these challenges, we introduce a novel end-to-end framework for consistent online HD vectorized map construction, which jointly performs map instance tracking and short-term prediction. First, we propose a Semantic-Aware Query Generator that initializes queries with spatially aligned semantic masks to capture scene-level context globally. Next, we design a History Rasterized Map Memory to store fine-grained instance-level maps for each tracked instance, enabling explicit historical priors. A History-Map Guidance Module then integrates rasterized map information into track queries, improving temporal continuity. Finally, we propose a Short-Term Future Guidance module to forecast the immediate motion of map instances based on the stored history trajectories. These predicted future locations serve as hints for tracked instances to further avoid implausible predictions and keep temporal consistency. Extensive experiments on the nuScenes and Argoverse2 datasets demonstrate that our proposed method outperforms state-of-the-art (SOTA) methods with good efficiency.