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Peer-reviewade publikationer — 56239 artiklar

Multipole analysis of substrate-supported dielectric nanoresonator arrays with T-matrix method
arXiv:2006.09137v2 Announce Type: replace Abstract: Substrates, and layered media in general, are ubiquitous, affect the properties of whatever is in their vicinity, and their influence is, in an arbitrary framework, challenging to quantify analytically, especially for large arrays which escape explicit numerical treatment due to the computational burden. In this work, we develop a versatile T-matrix based framework in which we generalize the coupled multipole model towards arbitrarily high multipole orders and substrate-supported arrays. It allows us to study substrate-supported random/amorphous arrays of high index dielectric nanoparticles which are of wide interest due to relatively low losses and a highly tunable optical response, making them promising elements for nanophotonic devices. We discuss how multipole coupling rules evolve in the presence of a substrate in amorphous arrays for three interaction mechanisms: direct coupling between particles, substrate-mediated interparticle coupling and substrate-mediated self-coupling. We show the interplay between array density, distance from the substrate and its refractive in determining the optical response of an array. As an example, we use this framework to analyze refractometric sensing with substrate-supported arrays and demonstrate that the substrate plays a crucial role in determining the array sensitivity.
No More K-means: Single-Stage Sparse Coding for Efficient Multi-Vector Retrieval
arXiv:2605.30120v3 Announce Type: replace Abstract: Multi-vector retrieval (MVR) models, exemplified by ColBERT, have established new benchmarks in retrieval accuracy by preserving fine-grained token-level interactions. However, this granularity imposes prohibitive storage and retrieval efficiency bottlenecks: to manage the immense memory footprint and computational overhead of billion-scale token vectors, state-of-the-art systems are forced to rely on aggressive dimension reduction and complex clustering (e.g., K-means). This compromise introduces two critical limitations: excessive indexing latency of clustering large-scale corpora and semantic information loss inherent to compression. In this paper, we propose Single-stage Sparse Retrieval (SSR}, a paradigm shift that replaces expensive clustering with efficient sparse coding. Instead of compressing features into low-dimensional dense vectors, we utilize Sparse Autoencoder (SAE) to project token embeddings into a high-dimensional but highly sparse representation. This transformation enables us to bypass vector clustering entirely and leverage inverted indexing for precise, high-throughput retrieval. Extensive experiments on the BEIR benchmark demonstrate that SSR achieves a "trifecta" of improvements: it reduces indexing time by 15x compared to ColBERTv2, halves retrieval latency, and simultaneously improves retrieval performance over leading baselines.
Equivariant Latent Alignment via Flow Matching under Group Symmetries
arXiv:2605.30705v2 Announce Type: replace Abstract: Geometry-aware generative models and novel view synthesis approaches have shown strong potential in visual fidelity and consistency. In parallel, equivariant representation learning has emerged as a powerful framework for constructing latent spaces where analytically known group transformations could act directly, capturing geometric structure in data and enhancing both interpretability and generalization in novel view synthesis. However, we identify that existing approaches often suffer from latent misalignment, a discrepancy between the intended group action and the actually required transformations in the latent space. Consequently, the learned latents often fail to consistently preserve the equivariant relations imposed by the underlying group symmetry. To address this, we propose Residual Latent Flow, a flow-based framework that corrects the misaligned latents, thereby improving compliance with the underlying equivariance relation. Our comprehensive experiments show that our method significantly reduces latent misalignment and improves novel view synthesis quality, under rotation groups SO(n).
Extending AI for Research to the Humanities: A Multi-Agent Framework for Evidence-Grounded Scholarship
arXiv:2605.30947v3 Announce Type: replace Abstract: LLM-based research agents have advanced rapidly in science and engineering, where research is organized around executable experiments, code, and quantitative signals. Humanities scholarship, however, requires a different mode of reasoning: interpretive, evidence-grounded argument over primary sources, where scholarly value depends on faithful quotation, verifiable provenance, and close reading. Existing research agents remain largely optimized for execution and retrieval, not evidence-grounded interpretive reasoning. To address this gap, we introduce SPIRE (Scholarly-Primitives-Inspired Research Engine), a multi-agent framework for evidence-grounded humanities scholarship. Drawing on Scholarly Primitives theory, SPIRE casts recurring humanities operations as cooperating agent roles (source discovery, evidence annotation, comparison, provenance checking, sampling, citation binding, and argumentative synthesis) over a multi-scale close-reading substrate of passages, intra-context graph communities, and cross-context semantic clusters. On a peer-reviewed-paper benchmark over classical Chinese and Greco-Roman Latin scholarship, SPIRE recovers cited primary-source evidence more reliably than Naive LLM, Text RAG, and GraphRAG, and receives higher blind-judge scores on answer accuracy, depth, coverage, and evidence quality. Ablations show that both the scholarly-operation agents and close-reading retrieval contribute to evidence-grounded essays. Code, data catalogues, and reproduction scripts are released at https://github.com/YatingPan/SPIRE.
Reinforcement Learning-Enabled Agent for Transmitter Optimization in Digital-Analog Radio-over-Fiber Fronthaul
arXiv:2606.04840v1 Announce Type: new Abstract: Digital-analog radio-over-fiber (DA-RoF) has emerged as a promising fronthaul solution that combines the high spectral efficiency of analog transmission with the robustness of digital transmission. However, the performance of DA-RoF critically depends on several tightly coupled parameters, including the rounding factor (RF), scaling factor (SF), geometric shaping (GS) factor, and pre-equalization taps coefficients, which jointly affect quantization noise, nonlinear distortion, and bandwidth-induced inter-symbol interference (ISI). Conventional grid search-based optimization is computationally prohibitive and impractical for optical communication. In this work, we propose a reinforcement-learning (RL)-enabled DA-RoF fronthaul agent architecture, capable of autonomously learning optimal transmitter parameters from end-to-end signal-to-noise ratio (SNR) feedback without a differentiable channel model. Experimental results demonstrate that the trained agent steadily improves SNR through sequential decision making and outperforms baseline, achieving ~2.7-dB SNR improvement for 1- to 4-order DA-RoF transmission, reaching final SNR of 35.8 dB, 42.9 dB, 53.8 dB, and 63.2 dB and supporting 1024-, 4096-, 16384-, 65536-quadrature amplitude modulation (QAM) format, respectively. These results validate that the proposed RL-enabled framework provides online, scalable, and hardware-efficient parameter optimization for DA-RoF fronthaul systems, paving the way toward high-order modulation format and intelligent next-generation radio access networks.
Graphical and algebraic methods for Boolean factoring
arXiv:2606.04038v1 Announce Type: cross Abstract: The problem of factoring Boolean polynomials has significant applications in both classical and quantum computing technology. In this paper we have developed novel algorithms for factoring both ESOP and SOP expressions. Our aim is to optimize the AND-count. The AND-count plays a key role in determining the number of AND and Toffoli gates required to implement a reversible function with classical and quantum circuits, respectively. The first type of algorithms that we develop, are graphical. We reduce the problem of Boolean factoring to covering a bipartite graph with bicliques, and so optimizing the number of bicliques required to cover the bipartite graph, leads to reduced number of factors, and hence AND-count. The second type of algorithm is algebraic, and is derived from multivariate Horner method. We have compared the performances of our algorithms with existing popular methods like EXORCISM-4 and EPOEM2, on random functions of up to 12 variables. We have observed that our multivariate Horner method is substantially faster, while our biclique-based method achieves the maximum AND-count reduction. In fact, compared to EXORCISM-4 our biclique based method achieves up to 5 times reduction in AND-count.
Structure-Aware Prediction of PROTAC-Mediated Protein Degradability via Graph Neural Networks
arXiv:2606.04021v1 Announce Type: cross Abstract: Proteolysis-targeting chimeras (PROTACs) can selectively degrade disease-causing proteins, yet predicting which targets are amenable to degradation remains a critical bottleneck: existing computational methods require the complete PROTAC molecular structure, information unavailable before synthesis. We present DegradoMap, a graph neural network that predicts PROTAC-mediated degradability from protein structure and E3 ligase identity alone -- the minimal information available at the target selection stage. The model encodes biophysical priors through lysine-weighted graph pooling with per-protein normalization, models protein-E3 compatibility via cross-attention, and integrates cellular context from the Cancer Dependency Map. On the PROTAC-8K benchmark (3,101 samples, 155 targets, 10 E3 ligases), DegradoMap achieves 0.646+-0.124 AUROC on target-unseen evaluation (best seed: 0.7449) and 0.811 AUROC on CRBN->VHL E3-unseen transfer, outperforming GNN and machine learning baselines. The model additionally recommends optimal E3 ligases with 74% Hit@3 accuracy. Two findings carry broader implications: E(3)-equivariant architectures underperform the simpler invariant design for this scalar prediction task, and ESM-2 embeddings improve peak performance only with careful regularization -- naive integration fails. DegradoMap provides pre-synthesis computational guidance for degradability assessment; its well-calibrated confidence scores (ECE = 0.029, target-unseen) enable practitioners to prioritize high-confidence predictions for experimental follow-up. However, the high seed variance (std = 0.124) and limited E3 coverage require ensembling for reliable deployment.
Traceable by Design: An LLM Pipeline and Dashboard for EU Regulatory Consultation Analysis
arXiv:2605.30995v2 Announce Type: replace Abstract: Public consultations generate large volumes of data in the form of stakeholder submissions that are practically unfeasible to analyse manually. We present an end-to-end LLM-based pipeline and interactive dashboard for structured topic extraction from regulatory consultation submissions, demonstrated on the European Commission's Digital Fairness Act (DFA) public call for evidence as a case study. The system processes raw PDF attachments and web-form responses, extracts topic annotations, and grounds every extraction in a verbatim quote from the source text. Applied to 4,322 DFA submissions, the pipeline produced 15,368 topic annotations supported by 20,951 verbatim evidence quotes. Three principles govern the proposed design: verbatim grounding, full traceability, and transparency by design. The dashboard exposes the full extraction dataset through five analytical views, from dataset-level topic overviews to individual paragraph drill-downs, with every result traceable to its source. Beyond the predefined DFA topic categories, the pipeline generated certain stakeholder concerns, such as Age Verification, Payment Processor Censorship, and Digital Ownership, that a fixed-taxonomy approach would have missed. The pipeline is domain-generic; adapting it to a new consultation requires only a prompt update and a new dataset. A live demo is available at https://dfa-dashboard.thalesbertaglia.com/. The code and processed data are publicly available at https://github.com/thalesbertaglia/dfa-dashboard.
GGT-100K: Generative Ground Truth for Generalizable Real-World Image Restoration
arXiv:2605.31039v2 Announce Type: replace Abstract: Real-world image restoration (IR) is bottlenecked by the scarcity of high-quality paired training data. Synthetic datasets are abundant but often fail to model real-world degradations, while real-world paired datasets are expensive and difficult to capture. As a result, IR models trained on these datasets show limited generalization in real-world scenarios. In this work, we propose Generative Ground Truth (GGT) by using generative multimodal foundation models (MFMs) to produce high-quality (HQ) targets from real-world low-quality (LQ) images. We first conduct a systematic evaluation of nine state-of-the-art MFMs, including Nano-Banana-2 and GPT-Image-2, on images of various scenes and degradation types. The results demonstrate that Nano-Banana-2 with VLM-based adaptive prompting shows the highest capability to synthesize perceptually realistic and content-faithful HQ targets, which can serve as the GGT for the LQ input. We then employ Nano-Banana-2 to build a GGT synthesis pipeline, which involves multi-stage quality control to ensure data reliability, and construct GGT-100K, an LQ-HQ paired dataset comprising 103,707 training pairs and covering diverse scenes and complex real-world degradations. A test set of 500 image pairs is also established. Extensive experiments show that GGT-100K consistently improves the real-world generalization of a wide range of IR models, with particularly strong benefits for finetuning generative models for IR tasks. Our results suggest that MFMs can serve as practical tools for restoration-oriented data generation, and GGT-100K is a useful resource to expand the generalization boundaries of real-world IR models.
Developing a novel Comorbidities Index for predicting 10-year mortality in Prostate Cancer patients: A computational data-driven approach
arXiv:2605.31213v2 Announce Type: replace Abstract: The Charlson Comorbidities Index (CCI) is a weighted additive index widely used to estimate ten-year mortality risk, but its original weights may not reflect contemporary prognoses. This limitation is critical in Prostate Cancer (PCa), where radical treatment is recommended only for patients with a life expectancy of at least ten years. For candidates eligible for Radical Prostatectomy (RP), accurate estimation of ten-year other-cause mortality is essential to balance oncological benefit against competing risks and avoid overtreatment. We propose a data-driven framework to derive a comorbidity index tailored to PCa patients considered for RP. Using a retrospective single-institution cohort, we apply Population-Based Bio-Inspired Algorithms (PBBIAs) to recalibrate comorbidity weights and evolve alternative symbolic formulations optimized for ten-year survival discrimination. We compared six optimization strategies, including symbolic regression approaches based on Genetic Programming (GP), population-based metaheuristics, clinically validated baselines, and survival prediction models. Results show that GA, FST-PSO, and SLIM outperform both the original CCI and the PCCI, particularly when PCa-specific variables are included, improving the Concordance Index by up to 0.1. GPLearn yields compact and interpretable models with competitive performance. Overall, the proposed approach provides an updated and interpretable tool to improve patient selection for RP.
How Far Do Auto-Interpretation Labels Generalize: A Controlled Study Across Languages, Scripts, and Rewordings
arXiv:2606.00356v2 Announce Type: replace Abstract: Sparse autoencoder (SAE) features are increasingly used to interpret language models, with auto-generated natural-language labels serving as the primary interface for understanding what each feature represents. We ask whether these labels generalize: does a feature labeled for a concept actually track that concept across languages and scripts? Using Serbian digraphia as a controlled testbed--the same language written in both Latin and Cyrillic via deterministic transliteration--we first find that SAE feature sets activated by the same content in different languages, scripts, and wordings share substantial overlap (mean Jaccard 0.39 vs. 0.13 random baseline, peaking at 0.57), suggesting genuine cross-lingual semantic features. We then test whether auto-interpretation labels keep pace. They often do not: features whose labels describe semantic content miss the same meaning in Serbian up to 4x more often thanwithin English, and miss Serbian Cyrillic more than Serbian Latin--two scripts that are deterministic transliterations of each other--suggesting the failures align with how well each form is represented in training. The gap grows with network depth, yet the labels give no indication that they fail. These results suggest that auto-interpretation labels may reflect a feature's behavior on well-represented inputs rather than the concept itself.
SkyShield: Occupancy as a Safety Interface for Low-Altitude UAV Autonomy
arXiv:2606.00747v2 Announce Type: replace Abstract: For low-altitude Unmanned Aerial Vehicle (UAV) autonomy, 3D spatial understanding is not merely a perception objective, but the safety interface between human instructions and physical flight. In human-scale urban airspace below 20 meters, thin geometry, occlusions, vegetation, and urban clutter define whether an aerial agent can safely enter the space ahead. However, existing UAV datasets mainly provide 2D annotations or 3D boxes, while driving-oriented occupancy benchmarks assume stable ground-level sensor rigs. Both miss the defining regime of low-altitude flight: a front-facing monocular camera observing occupied and free space from a moving aerial body with frame-wise changing 6-DoF pose and camera extrinsics. To bridge this gap, we introduce SkyShield, to the best of our knowledge the first front-view monocular semantic occupancy benchmark for urban UAV flight below 20 meters. Built on CARLA, SkyShield contains 36K front-view UAV samples across diverse urban scenes and weather conditions, pairing each image with frame-wise 6-DoF UAV pose, frame-wise dynamic camera geometry, UAV states, and front-frustum semantic occupancy labels. We further propose KAR-mIoU, a UAV-centric and dynamics-aware metric that re-weights voxel-level evaluation by kinematic reachability and time-to-collision, revealing safety-critical risks hidden by conventional mIoU. To tackle this challenging new setting, we provide SkyOcc, a geometry-first monocular baseline that integrates frame-wise UAV attitude into projection, fuses temporal occupancy features, and applies safety-prior optimization to preserve sparse collision-critical structures. Together, SkyShield, KAR-mIoU, and SkyOcc establish occupancy as a safety interface for low-altitude aerial autonomy. Code and dataset will be released publicly.
DiscourseFlip: An Oblique Discourse-Level Opinion Manipulation Attack against Black-box Retrieval-Augmented Generation
arXiv:2606.01212v2 Announce Type: replace Abstract: Retrieval-Augmented Generation (RAG) systems are widely deployed and increasingly influential, but their reliance on external corpora exposes new security risks from poisoned retrieval content. Existing RAG attacks are largely focusing on individual queries or narrow topic-local query sets, which limits their practical reach and offers limited camouflage in real-world settings. In this paper, we introduce discourse-level opinion manipulation, a new threat model in which coordinated influence across a semantic query network induces opinion shifts over a holistic, multi-topic query space. We formalize this threat in a black-box setting and propose DiscourseFlip, an agentic, graph-guided attack that dynamically allocates a limited poisoning budget to maximize discourse-level opinion deviation. Extensive experiments demonstrate that DiscourseFlip consistently induces targeted opinion shifts across the contextualized query network and significantly outperforms existing baselines in terms of coverage and effectiveness. User studies further confirm that DiscourseFlip is effective while remaining well camouflaged from user detection. Moreover, systematic analyses show that existing mitigation strategies are ineffective against discourse-level manipulation, underscoring the urgent need for more robust and adaptive defenses to address discourse-level vulnerabilities.
Graph Set Transformer
arXiv:2606.05116v1 Announce Type: new Abstract: We introduce the Graph Set Transformer (GST), a neural network architecture for learning on sets of graphs, designed for tasks in which per-element predictions depend on set-wide context as well as local structure. Existing architectures, including DeepSets and SetTransformer, require pre-encoded graph embeddings from a separate GNN, creating a bottleneck between feature extraction and set-level contextualisation. In contrast, GST interleaves node-level feature propagation and cross-graph contextual modelling at every layer, fusing the two levels of information through a gating mechanism. We evaluate GST on a controlled synthetic suite designed to isolate set-conditional structural reasoning and on three real-data benchmarks spanning per-atom reaction-centre identification, reaction yield prediction, and image classification. Under matched parameter budgets, GST performs better than the baselines across these settings. An architectural ablation strongly suggests that the interleaving of local and set context contributes substantially to this advantage.
SPLIT-PINN: Separable Probability Learning Technique via Physics-Informed Neural Networks for High-Dimensional Probabilistic Modeling
arXiv:2606.04000v1 Announce Type: cross Abstract: We present a probabilistic modeling framework for incorporating small-scale spatial heterogeneity into macroscopic descriptions of material behavior for polycrystalline metallic materials. Spatially heterogeneous material state fields are represented using probability density functions (PDFs), providing a principled statistical description of microstructural variability and state evolution across different computational polycrystalline realizations. The framework is built on the inverse identification of a probabilistic transport model, formulated as a Liouville equation with an unknown drift term. To enable accurate, stable, and interpretable inference of this drift field in high-dimensional, transport-dominated settings, we develop a Separable Probability Learning Technique via Physics-Informed Neural Networks (SPLIT-PINN). This method incorporates a marginal-correction drift decomposition, orthogonality constraints, and residual-based adaptive training to enhance well-posedness, numerical stability, and physical consistency without imposing restrictive parametric assumptions. Using SPLIT-PINN, the drift field governing the temporal evolution of joint state PDFs is inferred directly from data. After benchmark validation, the framework is applied to physical computational datasets describing the evolution of polycrystalline microstructural states, including von Mises stress, dislocation density, and equivalent plastic strain rate. The learned Liouville model, trained on a single dataset, is subsequently used in forward predictions of the temporal evolution of joint and marginal PDFs for multiple unseen polycrystal realizations. Quantitative comparisons with reference PDFs demonstrate that the proposed framework yields accurate and robust probabilistic predictions and generalizes effectively across datasets.
Query-based Cross-Modal Projector Bolstering Mamba Multimodal LLM
arXiv:2606.04719v1 Announce Type: new Abstract: The Transformer's quadratic complexity with input length imposes an unsustainable computational load on large language models (LLMs). In contrast, the Selective Scan Structured State-Space Model, or Mamba, addresses this computational challenge effectively. This paper explores a query-based cross-modal projector designed to bolster Mamba's efficiency for vision-language modeling by compressing visual tokens based on input through the cross-attention mechanism. This innovative projector also removes the need for manually designing the 2D scan order of original image features when converting them into an input sequence for Mamba LLM. Experimental results across various vision-language understanding benchmarks show that the proposed cross-modal projector enhances Mamba-based multimodal LLMs, boosting both performance and throughput.
Constraint-Enhanced Physical Search through Correlation Matching
arXiv:2606.03554v1 Announce Type: cross Abstract: Physical systems do not merely add noise to search processes; they impose constraints that generate structured correlations. We propose a principle of constraint-enhanced physical search in which temporal correlations in exploration are matched to constraint-induced spatial correlations in the update dynamics. Using a minimal tug-of-war bandit model (TOW), we show that a conservation law converts local observations into differential evidence across alternatives, while a temporally correlated drive controls the order of exploration. Search efficiency is improved not by stronger randomness or by maximal anti-correlation, but by matching the temporal correlation to the physical update scale that converts feedback into evidence. A scaling estimate identifies the update-noise-to-contrast ratio as the leading parameter that limits how strongly temporal anti-correlation can be used. The results suggest a general organizing principle for physical search: constraints and fluctuations can generate structured spatiotemporal correlations, and efficient exploration emerges when these correlations are matched to the update dynamics.
PRECISE: Reducing the Bias of LLM Evaluations Using Prediction-Powered Ranking Estimation
arXiv:2601.18777v1 Announce Type: cross Abstract: Evaluating the quality of search, ranking and RAG systems traditionally requires a significant number of human relevance annotations. In recent times, several deployed systems have explored the usage of Large Language Models (LLMs) as automated judges for this task while their inherent biases prevent direct use for metric estimation. We present a statistical framework extending Prediction-Powered Inference (PPI) that combines minimal human annotations with LLM judgments to produce reliable estimates of metrics which require sub-instance annotations. Our method requires as few as 100 human-annotated queries and 10,000 unlabeled examples, reducing annotation requirements significantly compared to traditional approaches. We formulate our proposed framework (PRECISE) for inference of relevance uplift for an LLM-based query reformulation application, extending PPI to sub-instance annotations at the query-document level. By reformulating the metric-integration space, we reduced the computational complexity from O(2^|C|) to O(2^K), where |C| represents corpus size (in order of millions). Detailed experiments across prominent retrieval datasets demonstrate that our method reduces the variance of estimates for the business-critical Precision@K metric, while effectively correcting for LLM bias in low-resource settings.
DiffAero: A GPU-Accelerated Differentiable Simulation Framework for Efficient Quadrotor Policy Learning
arXiv:2509.10247v1 Announce Type: cross Abstract: This letter introduces DiffAero, a lightweight, GPU-accelerated, and fully differentiable simulation framework designed for efficient quadrotor control policy learning. DiffAero supports both environment-level and agent-level parallelism and integrates multiple dynamics models, customizable sensor stacks (IMU, depth camera, and LiDAR), and diverse flight tasks within a unified, GPU-native training interface. By fully parallelizing both physics and rendering on the GPU, DiffAero eliminates CPU-GPU data transfer bottlenecks and delivers orders-of-magnitude improvements in simulation throughput. In contrast to existing simulators, DiffAero not only provides high-performance simulation but also serves as a research platform for exploring differentiable and hybrid learning algorithms. Extensive benchmarks and real-world flight experiments demonstrate that DiffAero and hybrid learning algorithms combined can learn robust flight policies in hours on consumer-grade hardware. The code is available at https://github.com/flyingbitac/diffaero.
AI from concrete to abstract: demystifying artificial intelligence to the general public
arXiv:2006.04013v6 Announce Type: cross Abstract: Artificial Intelligence (AI) has been adopted in a wide range of domains. This shows the imperative need to develop means to endow common people with a minimum understanding of what AI means. Combining visual programming and WiSARD weightless artificial neural networks, this article presents a new methodology, AI from concrete to abstract (AIcon2abs), to enable general people (including children) to achieve this goal. The main strategy adopted by is to promote a demystification of artificial intelligence via practical activities related to the development of learning machines, as well as through the observation of their learning process. Thus, it is possible to provide subjects with skills that contributes to making them insightful actors in debates and decisions involving the adoption of artificial intelligence mechanisms. Currently, existing approaches to the teaching of basic AI concepts through programming treat machine intelligence as an external element/module. After being trained, that external module is coupled to the main application being developed by the learners. In the methodology herein presented, both training and classification tasks are blocks that compose the main program, just as the other programming constructs. As a beneficial side effect of AIcon2abs, the difference between a program capable of learning from data and a conventional computer program becomes more evident. In addition, the simplicity of the WiSARD weightless artificial neural network model enables easy visualization and understanding of training and classification tasks internal realization.
MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation Optimization
arXiv:2602.11189v2 Announce Type: replace-cross Abstract: Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a cyclic peptide often exhibits diverse, ring-shaped conformations, which cannot be well captured by deterministic prediction models derived from linear peptide folding. In this study, we propose MuCO (Multi-stage Conformation Optimization), a generative peptide cyclization method that models the distribution of cyclic peptide conformations conditioned on the corresponding linear peptide. In principle, MuCO decouples the peptide cyclization task into three stages: topology-aware backbone design, generative side-chain packing, and physics-aware all-atom optimization, thereby generating and optimizing conformations of cyclic peptides in a coarse-to-fine manner. This multi-stage framework enables an efficient parallel sampling strategy for conformation generation and allows for rapid exploration of diverse, low-energy conformations. Experiments on the large-scale CPSea dataset demonstrate that MuCO significantly and consistently outperforms state-of-the-art methods in physical stability, structural diversity, secondary structure recovery, and computational efficiency, making it a promising computational tool for exploring and designing cyclic peptides. The demo of the proposed method can be found at https://github.com/mianqiu00/MuCO.
A French Corpus Annotated for Multiword Expressions with Adverbial Function
arXiv:2606.04828v1 Announce Type: new Abstract: This paper presents a French corpus annotated for multiword expressions (MWEs) with adverbial function. This corpus is designed for investigation on information retrieval and extraction, as well as on deep and shallow syntactic parsing. We delimit which kind of MWEs we annotated, we describe the resources and methods we used for the annotation, and we briefly comment the results. The annotated corpus is available at http://infolingu.univ-mlv.fr/ under the LGPLLR license.
The Cost of Learning Under Multiple Change Points
arXiv:2602.11406v2 Announce Type: replace-cross Abstract: We consider an online learning problem in environments with multiple change points. In contrast to the single change point problem that is widely studied using classical "high confidence" detection schemes, the multiple change point environment presents new learning-theoretic and algorithmic challenges. Specifically, we show that classical methods may exhibit catastrophic failure (high regret) due to a phenomenon we refer to as endogenous confounding. To overcome this, we propose a new class of learning algorithms dubbed Anytime Tracking CUSUM (ATC). These are horizon-free online algorithms that implement a selective detection principle, balancing the need to ignore "small" (hard-to-detect) shifts, while reacting "quickly" to significant ones. We prove that the performance of a properly tuned ATC algorithm is nearly minimax-optimal; its regret is guaranteed to closely match a novel information-theoretic lower bound on the achievable performance of any learning algorithm in the multiple change point problem. Experiments on synthetic as well as real-world data validate the aforementioned theoretical findings.
STRIDE: Training Data Attribution via Sparse Recovery from Subset Perturbations
arXiv:2606.05165v1 Announce Type: new Abstract: Training Data Attribution (TDA) seeks to trace a model's predictions back to its training data. The gold standard for TDA relies on causal interventions, observing how a model changes when data is added or removed, but repeated retraining is computationally challenging for Large Language Models (LLMs). Consequently, most approaches approximate this effect in the parameter space using gradients. However, tracking gradients across billions of parameters is not only prohibitively expensive but relies on local approximations. In this work, we propose a shift: rather than estimating parameter changes, we model the functional effect of training data in the activation space. We introduce STRIDE (Steering-based Training Data Influence Decomposition), a framework that formulates TDA as a sparse recovery problem in the spirit of compressive sensing. STRIDE learns lightweight "steering operators" that mimic the behavioral shift caused by training on data subsets. By measuring how these operators perturb test predictions, we recover individual training example influences via sparse linear decomposition. STRIDE achieves state-of-the-art for LLM pre-training attribution while being an order of magnitude ($13\times$) faster than previous art. We further validate its practical utility through downstream applications including data selection, data contamination, and qualitative analysis.
Tomography by Design: An Algebraic Approach to Low-Rank Quantum States
arXiv:2602.15202v2 Announce Type: replace-cross Abstract: We present an algebraic algorithm for quantum state tomography that leverages measurements of certain observables to estimate structured entries of the underlying density matrix. Under low-rank assumptions, the remaining entries can be obtained solely using standard numerical linear algebra operations. The proposed algebraic matrix completion framework applies to a broad class of generic, low-rank mixed quantum states and, compared with state-of-the-art methods, is computationally efficient while providing deterministic recovery guarantees.