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01.
arXiv (CS.CV) 2026-06-11

IB-HFN: Information Bottleneck-Driven SAR-Optical Fusion Network for High-Fidelity Cloud Removal

Synthetic aperture radar (SAR)-assisted optical cloud removal aims to recover surface information obscured by clouds in optical remote sensing images by exploiting complementary SAR observations. Existing multimodal fusion methods typically rely on direct spatial concatenation and pixel-wise supervision, which can propagate SAR speckle noise into optical reconstruction and lead to over-smoothed results. To address these limitations, we propose an Information Bottleneck-driven High-Fidelity Network (IB-HFN) for SAR-assisted optical cloud removal. IB-HFN employs a dual-stream backbone to preserve modality-specific representations before deep semantic fusion, thereby mitigating premature cross-modal contamination. At the fusion stage, we introduce a Spatial Information Bottleneck Fusion module that compresses SAR features through a channel-wise variational information bottleneck to suppress unstructured speckle noise. In parallel, a local-global gating mechanism predicts clear-sky regions and routes reliable optical details through a Dirac-initialized skip connection, decoupling noise suppression from texture preservation. We further develop a joint optimization strategy that integrates feature-level bottleneck regularization with image-level constraints on reconstruction accuracy, structural consistency, spectral fidelity, and contrastive sharpness. A dynamic weighting schedule balances these objectives to stabilize training and reduce hazy artifacts. Experiments on the SEN12MS-CR dataset under challenging spatio-temporal splits demonstrate that IB-HFN achieves superior structural preservation and spectral fidelity over existing methods.

02.
bioRxiv (Bioinfo) 2026-06-16

MetaPilot: genome-aware adaptive search-space refinement for unified DDA and DIA metaproteomics

Metaproteomic peptide identification is constrained by the structure and size of the protein search space. Pooled gene catalogues provide coverage but obscure genome-level evidence, and current workflows for data-dependent (DDA) and data-independent (DIA) acquisition diverge in their database strategies. We present MetaPilot, a genome-aware workflow that uses conserved marker-protein evidence to rank candidate genomes from MGnify catalogues and construct adaptive, sample-specific search spaces. Applied to paired DDA/DIA datasets of defined mixtures and fecal samples, MetaPilot adapted genome selection to community complexity and reproduced published peptide evidence while expanding the detectable peptide space. In DDA-independent reanalysis of Orbitrap human gut DIA data, MetaPilot identified 24.4% more peptides than the published DDA-derived library and 2.06-fold more than the matched DDA-assisted DIA search. On timsTOF DIA-PASEF mouse intestinal data, it outperformed uMetaP by 41.8~119.7%, enabling genome-resolved functional interpretation without DDA-PASEF input.

03.
arXiv (CS.CL) 2026-06-12

Operads for compositional reasoning in LLMs

Question decomposition, i.e. breaking a complex query into simpler sub-queries whose answers are composed to produce a final answer, is a widely used strategy for improving LLM reasoning, yet it currently lacks a rigorous mathematical foundation. In this paper, we propose operads, mathematical structures that model many-in, one-out operations and compositions thereof, as a natural framework for describing question decomposition. We define the questions operad $Q$, in which operations correspond to question templates and composition corresponds to substitution of sub-answers, and show how QA models can be interpreted as algebras over $Q$. Beyond reframing existing practice, this operadic perspective points toward new methods, in particular a notion of operadic consistency, which measures whether a QA model's answers agree across the partial collapses of a question decomposition tree. Empirical evaluation of operadic consistency is reported in our companion paper (Bottman, Liu, and Richardson, 2026), which finds it strongly correlated with accuracy across twelve LLMs and four multi-hop QA datasets and outperforming standard temperature-based self-consistency baselines. We argue that operads are the natural mathematical home for question decomposition, and that invariants such as operadic consistency open new directions for analyzing and improving the reliability of multi-step reasoning.

04.
arXiv (CS.LG) 2026-06-17

Variational autoencoders with latent high-dimensional steady geometric flows for dynamics

arXiv:2410.10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework such that manifold geometries, subject to our geometric flow, embedded in Euclidean space are learned in the intermediary latent space developed by encoders and decoders. By tailoring the geometric flow in which the latent space evolves, we induce latent geometric properties of our choosing, which are reflected in empirical performance. We reformulate the traditional evidence lower bound (ELBO) loss with a considerate choice of prior. We develop a linear geometric flow with a steady-state regularizing term. This flow requires only automatic differentiation of one time derivative, and can be solved in moderately high dimensions in a physics-informed approach, allowing more expressive latent representations. We discuss how this flow can be formulated as a gradient flow, and maintains entropy away from metric singularity. This, along with an eigenvalue penalization condition, helps ensure the manifold is sufficiently large in measure, nondegenerate, and a canonical geometry, which contribute to a robust representation. Our methods focus on the modified multi-layer perceptron architecture with tanh activations for the manifold encoder-decoder. We demonstrate, on our datasets of interest, our methods perform at least as well as the traditional VAE, and oftentimes better. Our methods can outperform this and a VAE endowed with our proposed architecture, frequently reducing out-of-distribution (OOD) error between 15% to 35% on select datasets. We highlight our method on ambient PDEs whose solutions maintain minimal variation in late times. We provide empirical justification towards how we can improve robust learning for external dynamics with VAEs.

05.
arXiv (math.PR) 2026-06-19

Hermite trace polynomials and chaos decompositions for the Hermitian Brownian motion

arXiv:2207.13180v4 Announce Type: replace Abstract: For a non-zero parameter $q$, we define Hermite trace polynomials, which are multivariate polynomials indexed by permutations. We prove several combinatorial properties for them, such as expansions and product formulas. The linear functional determined by these trace polynomials is a state for $q = \frac{1}{N}$ for $N$ a non-zero integer. For such $q$, Hermite trace polynomials of different degrees are orthogonal. The product formulas extend to the closure with respect to the state. The state can be identified with the expectation induced by the $N \times N$ Hermitian Brownian motion. Hermite trace polynomials are martingales for this Brownian motion, while the elements in the closure can be interpreted as stochastic integrals with respect to it. Using the grading on the algebra, we prove several chaos decompositions for such integrals, as well as analyze corresponding creation and annihilation operators. In the univariate, pure trace polynomial case, trace Hermite polynomials can be identified with the Hermite polynomials of matrix argument.

06.
arXiv (quant-ph) 2026-06-17

Cumulant expansion approach to the decay dynamics of interacting Mössbauer nuclei after strong impulsive excitation

arXiv:2510.00970v2 Announce Type: replace Abstract: Recent progress in accelerator-based x-ray sources brings higher excitation of ensembles of Mössbauer nuclei closer to experimental feasibility. Yet, a theoretical modeling of the decay dynamics of the interacting nuclear ensemble after the impulsive excitation is still an open challenge. Here, we derive a set of nonlinear equations which is capable of efficiently modeling large nuclear ensembles for arbitrary degrees of excitation. As key signature for higher excitation, we identify a non-linear time-evolution of the nuclear dipole phase, which can be tuned via the scattering geometry, and interferometrically be measured. Furthermore, we identify interesting finite-size effects in the nuclear dynamics of small ensembles. Our results provide important guidance for future experiments aiming at the non-linear excitation of nuclei. We further envision the exploration of finite size-effects in Mössbauer spectroscopy with highest spatial resolution, i.e., small sample volumes.

07.
arXiv (CS.AI) 2026-06-18

Speaker Verification with Speech-Aware LLMs: Evaluation and Augmentation

arXiv:2603.10827v2 Announce Type: replace-cross Abstract: Speech-aware large language models (LLMs) can accept speech inputs, yet their training objectives largely emphasize linguistic content or specific fields such as emotions or the speaker's gender, leaving it unclear whether they encode speaker identity. First, we propose a model-agnostic scoring protocol that produces continuous verification scores for both API-only and open-weight models, using confidence scores or log-likelihood ratios from the Yes/No token probabilities. Using this protocol, we benchmark recent speech-aware LLMs and observe weak speaker discrimination (EERs above 20% on VoxCeleb1). Second, we introduce a lightweight augmentation that equips an LLM with ASV capability by injecting frozen ECAPA-TDNN speaker embeddings through a learned projection and training only LoRA adapters. On TinyLLaMA-1.1B, the resulting ECAPA-LLM achieves 1.03% EER on VoxCeleb1-E, approaching a dedicated speaker verification system while preserving a natural-language interface.

08.
arXiv (math.PR) 2026-06-16

Steady-State Approximation Error of Heterogeneous Mean-Field Models

作者:

arXiv:2606.09022v2 Announce Type: replace Abstract: This paper studies heterogeneous mean-field models in which agent parameters are sampled from a population distribution. We establish an $O(1/M)$ bound on the steady-state mean-square error between the occupancy measure of the $M$-agent system and the corresponding annealed mean-field equilibrium. The analysis extends Stein's method for homogeneous mean-field models and reveals a fundamental difference between homogeneous and heterogeneous systems. While stability of the mean-field dynamics is sufficient in the homogeneous setting, heterogeneous systems further require uniform robustness of the occupancy dynamics with respect to perturbations of the initial condition. The results are illustrated through a heterogeneous SIS epidemic model.

10.
arXiv (math.PR) 2026-06-16

Phase Transition in Convex Relaxations for Graph Alignment

arXiv:2606.15581v1 Announce Type: cross Abstract: We study the graph alignment problem for correlated Gaussian Orthogonal Ensemble (GOE) matrices, where the goal is to recover a hidden vertex permutation given two correlated symmetric Gaussian matrices $(A, B)$ with correlation $1/\sqrt{1+\sigma^2}$. While the maximum likelihood estimator is information-theoretically optimal, its computation, which reduces to a quadratic assignment problem, is intractable. Motivated by this, we analyze convex relaxations based on minimizing $\|AX - XB\|_F$ over the set of doubly stochastic matrices and the unit hypercube. We show that when the correlation parameter satisfies $\sigma = o(n^{-1/2}/\log^4 n)$, the solution of either relaxation $(X^\star)$ concentrates around the ground-truth permutation matrix $(\Pi^\star)$, i.e., $\|X^\star-\Pi^\star\|_F^2 = o(n)$, implying recovery of all but a vanishing fraction of vertices after simple post-processing. Combined with existing lower bounds, our results precisely characterize that $\|X^\star-\Pi^\star\|_F^2$ transitions from $o(n)$ for $\sigma = \tilde{o}(n^{-1/2})$ to $\Omega(n)$ for $\sigma = \tilde{\Omega}(n^{-1/2})$. In doing so, our analysis significantly tightens prior results and extends them beyond doubly stochastic relaxations.

11.
arXiv (CS.LG) 2026-06-16

Using Reinforcement Learning to Optimize the Global and Local Crossing Number

arXiv:2509.06108v2 Announce Type: replace-cross Abstract: Graph drawing concerns the algorithmic visualization of graphs. A good drawing of a graph is easy to read and facilitates solving tasks on the graph. Several properties have been identified to occur in good drawings of graphs. Such properties include a low number of crossings, large angles between edges, short edges, and depicting symmetries. Many of these properties are explicitly measurable metrics. This brings us to the insight that graph drawing can be seen as a game. In this paper, we study a single-player optimization game in which the player iteratively moves vertices of a straight-line graph drawing to reduce edge crossings. This game arose naturally from the automatic track of the Graph Drawing Challenge, where solutions are obtained by repeatedly performing local vertex movements. We formalize this process as a game with full information and investigate whether reinforcement learning can discover effective strategies for playing it. Our reinforcement-learning agent observes the local geometric and structural context of a vertex and selects a movement direction with the goal of reducing either the global or the local crossing number, that is, the total number of crossings or the maximum number of crossings per edge. We compare the resulting strategies to existing methods and established crossing-minimization heuristics on standard benchmark graphs. While our approach does not out-compete state-of-the-art methods for minimizing the global crossing number, it is competitive and often superior for minimizing the local crossing number.

12.
arXiv (CS.AI) 2026-06-12

How AI Agents Reshape Knowledge Work: Autonomy, Efficiency, and Scope

arXiv:2606.07489v2 Announce Type: replace Abstract: Frontier AI systems are bridging the gap between intelligence and utility by shifting from conversational assistants to autonomous agents that execute tasks end to end. Using production data from Perplexity's Search and Computer products, we study this transition by examining how AI agents accelerate and reshape knowledge work. Three key empirical findings emerge. First, using sessions with near-identical initial query pairs as natural experiments for the same underlying task attempted with both products, Computer performs 26 minutes of autonomous work per user session, versus 33 seconds for Search. Computer automates task decomposition and execution that Search users might otherwise manually orchestrate and implement. As a result, Computer shifts follow-up query distribution toward higher-order work such as verification and extension. Autonomy also increases execution quality, with per-query dissatisfaction rates 55% lower on Computer than on Search. Second, due to its autonomy advantage, Computer reduces completion time from 269 to 36 minutes on matched tasks, lowering estimated time and cost by 87% and 94%, respectively, compared to humans equipped with Search alone. Third, Computer changes the scope of work that users attempt: Computer queries more often cross occupational boundaries, require higher-order cognition, draw on broader expertise, take the form of composite tasks that bundle interdependent subtasks into a single query, and unlock work activities that are essentially absent from Search usage among the same users. Together, the evidence indicates that AI agents accelerate workflows, enhance output quality, reduce costs, and expand the breadth and depth of automated work.

13.
arXiv (quant-ph) 2026-06-16

Quantum speedup from nonclassical polarization

arXiv:2603.23124v2 Announce Type: replace Abstract: We develop a framework for identifying nonclassical speedups in systems with polarization, likewise spin degrees of freedom. By confining the dynamics to the manifold of angular momentum coherent states, which act as the classical reference in this case, we compute the speed limit that bounds the rate of change of the state achievable without generating quantum coherence. A comparison with the unrestricted quantum speed limit enables the quantitative identification of speedups arising from polarization nonclassicality. We apply this framework to the cross-Kerr interaction, demonstrating a persistent speedup scaling as $\mathcal{O}(\sqrt{N})$ with the photon number $N$ with a parity effect in favour of even photon numbers. The results establish polarization nonclassicality as a genuine dynamical resource, linking quantum coherence to quantum-enhanced evolution speeds in nonlinear photonic systems.

14.
arXiv (CS.AI) 2026-06-19

Exit-and-Join Dynamics for Decentralized Coalition Formation

作者:

arXiv:2606.19683v1 Announce Type: new Abstract: This paper studies coalition formation as a decentralized dynamical process driven by unilateral exit-and-join decisions. Agents evaluate local moves using the Aumann-Dreze value, so payoffs are computed within the agent's current coalition rather than through a globally negotiated coalition structure. The resulting model links cooperative payoff allocation with noncooperative best-response behavior: a terminal partition is precisely a coalition structure with no admissible, individually profitable exit-and-join deviation. We establish equilibrium characterizations, identify conditions under which the dynamics admit scalar Lyapunov or exact-potential representations, and analyze how switching and acceptance costs shape local stability. Numerical experiments test finite-time stabilization, cost sensitivity, and a special convex-game benchmark.

15.
PLOS Medicine 2026-06-04

Beyond associations: Navigating the safety of non-steroidal anti-inflammatory drugs (NSAIDs) in early pregnancy

by Andrew S. C. Yuen, Kenneth K. C. Man Pain and fever in pregnancy require treatment, but fetal safety concerns complicate analgesic choice. A recent PLOS Medicine study presents new evidence on the safety of first-trimester NSAID use and congenital malformation risk, but interpreting findings across studies is challenging. In this Perspective, Kenneth Man and Andrew Yuen highlight a recent PLOS Medicine study that presents new evidence on the safety of first-trimester NSAID use and congenital malformation risk, but discuss why interpreting findings across studies is challenging.

16.
arXiv (CS.CV) 2026-06-11

Adapting Prithvi-EO for Fallow Detection for Food-Water Nexus: ViT-Adapter Necks and Parameter-Efficient Backbone tuning of Geospatial Foundation Model

Understanding spatial distribution of fallow land is important for optimizing the food-water (FW) nexus, given fallowing's role in crop rotation and water conservation. Fallow is a low accuracy class in USDA Cropland Data Layer (CDL). Geospatial foundation model (GFM), Prithvi-EO has shown strong transferability across computer vision tasks. However, its Vision Transformer (ViT) backbone produces features at a single spatial scale that are ill-suited for the multi-scale features required by object detection heads. Existing approaches synthesise multi-scale pyramids through scaling of single stride tokens, sacrificing spatial heterogeneity, and full backbone fine-tuning is computationally prohibitive for GFMs. We evaluate a fallow detection pipeline combining two parameter-efficient fine tuning (PEFT) schemes: Low-Rank Adaptation (LoRA) and a hybrid PEFT, with three neck designs: pseudo multi-scale, Lite ViT-Adapter, and Full ViT-Adapter. Our best configuration, Lite ViT-Adapter with a one-stage head, achieves a mAP@50 of 0.9479 with the Diou loss, suggesting the effectiveness of center-aware localization for irregular fallow field detection. ViT-Adapter free one-stage detection under LoRA improves the adapter-free anchor-based approach by 6.42%, and the best configuration improves baseline adapter-free anchor-based approach by 25.70%. These results demonstrate that lightweight spatial prior fusion and selective backbone unfreezing enable Prithvi-EO to capture local fallow patterns more effectively, outperforming approaches that rely on reshaped single-stride ViT tokens.

17.
PLOS Computational Biology 2026-06-15

WormSORT: A detection-based multiple object tracking model for individual silkworms in breeding environments

作者:

by Hongkang Shi, Linbo Li, Shiping Zhu, Haibo He, Minghui Zhu, Jianfei Zhang Variety breeding has long been a cornerstone of high-quality agriculture, and recent advances in artificial intelligence have opened new avenues for accelerating biological breeding. In this study, we applied multiple object tracking (MOT) technology to silkworm breeding to achieve efficient, non-invasive, and dynamic individual monitoring. Unlike pedestrian or vehicle tracking, silkworms pose unique challenges for MOT due to their small size, dense distribution, and high inter-individual similarity, which complicate accurate tracking and behavioral analysis. To address these issues, we propose WormSORT, an enhanced tracking method based on a tracking-by-detection framework with an optimized data association strategy. A pre-trained detection model identifies silkworms in each frame, and deep feature vectors are extracted using a re-identification network. Identity association is first performed using Intersection over Union (IoU) matching, followed by deep feature similarity for unmatched cases, improving both tracking accuracy and reliability. To further enhance tracking stability, we introduce a candidate input padding mechanism, including IoU padding and feature padding, ensuring that high-confidence unmatched trajectories and detections remain involved in the matching process. To validate the proposed tracking strategy, we constructed two multiple silkworm tracking (MST) datasets: MST-50, containing approximately 50 individuals over 1000 frames, and MST-100, containing approximately 100 individuals over 1200 frames. Experimental results demonstrate that WormSORT outperforms existing methods, including DeepSORT, StrongSORT, OCSORT, ByteTrack, and BotSORT, achieving superior tracking performance. This study provides a valuable reference for silkworm tracking and behavioral analysis, contributing to the advancement of high-quality silkworm rearing and management.

18.
arXiv (CS.CV) 2026-06-12

Emerging Flexible Designs for Geospatial Multimodal Foundation Models

Foundation models are rapidly transforming Earth observation by enabling scalable pretraining across diverse unlabeled geospatial modalities. However, their architectural diversity ranging from encoder-only to encoder-decoder and masked autoencoding paradigms makes it challenging to assess performance trade offs in a consistent manner. In this work, we present an apples-to-apples comparison of leading FM architectures designed for geospatial multimodal reasoning, with a particular focus on flexibility across varied spectral band configurations. We standardize pretraining using identical self supervised learning objectives and training datasets, and evaluate all models under consistent parameterization on the GEOBench benchmark across classification and segmentation tasks. Our results offer new insights into the design trade-offs between model flexibility, modality alignment, and downstream task performance. By highlighting architectural strengths and limitations under controlled conditions, this study provides practical guidance for building next generation geospatial foundation models capable of robust multimodal reasoning.

19.
arXiv (CS.LG) 2026-06-16

Assessing Predictive Models for Fairness Based on Movement Patterns

arXiv:2605.23234v3 Announce Type: replace Abstract: Assessing the spatial fairness of predictive models involves establishing whether they are statistically penalizing (favoring) individuals associated with certain geographical locations. Literature on this topic makes the fundamental assumption that each individual is assigned to a single geographical location (e.g., place of residence). However, fairness with respect to the set of locations where one has been, i.e., their movement patterns over different regions, also matters when fairness is considered. Consequently, we argue that it is necessary to generalize the notion of spatial fairness to also include movement patterns, leading to the novel problem of assessing predictive models for fairness relative to the movements of individuals. To deal with this problem, we propose an approach that first associates the movements of individuals to certain geographic regions, considering multiple spatial partitions with different resolutions and alignments, and then employs a suitable spatial scan statistic to assess whether a predictive model is fair based on movement patterns. In the experimental evaluation, we study the performance of our approach over thousands of synthetic unfair datasets, showing that it is effective at detecting this new type of unfairness and at retrieving the set of objects treated unfairly, while localization performance exhibits a consistent multi-resolution trade-off.

20.
medRxiv (Medicine) 2026-06-22

Early-life nutritional environment is associated with late-life cognition in the Health and Retirement Study, a pellagra epidemic natural experiment

Early-life exposures are important to several late-life health outcomes. We sought to study the effect of an in utero nutritional environment and its interaction with Alzheimer's disease (AD) genetic risk on late-life cognitive function. We used a natural experiment created by the pellagra epidemic, a nutritional disease caused by a vitamin B3 deficiency, to evaluate the association between in utero pellagra epidemic exposure and late-life cognitive function in the Health and Retirement Study (N = 18,285). We also evaluated whether the in utero exposure could modify the AD polygenic score's (PGS) effect on cognition. In utero pellagra epidemic exposure was significantly associated with cognition ({beta} = -0.025). However, these effects were not isolated to the prenatal period as exposure during childhood periods also had an effect. The interaction between the in utero exposure and the AD PGS was significant, where the genetic effect on cognition was amplified with increasing (progressively worse) in utero exposure levels. These associations imply that the early-life nutritional environment affects late-life cognitive function and that these effects can modify genetic risk.

21.
medRxiv (Medicine) 2026-06-12

Home-based binocular serious games in virtual reality to treat visual acuity and stereovision in residual amblyopia: AMBER study

Objectives: Amblyopia is a pediatric visual disorder traditionally treated by patching the fellow eye, though many patients retain residual amblyopia post-treatment. Increasing evidence suggests that visual plasticity allows treat-ment beyond the classical therapeutic window. AMBER evaluated the efficacy of binocular serious games in virtual reality (VR) in residual amblyopia. Methods and Analysis: The monocentric, prospective, randomized, crossover trial (reported as case series) includ-ed 14 anisometropic, strabismic, or mixed residual amblyopia patients (6-35 years; 5 children, 9 adults). Participants underwent two 2-month intervention phases: optical correction (standard care) and standard care plus VR games (2.5 h/week), each with a 2-month follow-up. Best-corrected visual acuity (BCVA), stereoacuity, and reading speed were assessed (5 timepoints) using the Sloan and Landolt charts, the Titmus, TNO, Lang II, Asteroid, and Mnread tests. Compliance and adverse events (AE) were recorded. Results: VR training improved BCVA in 10 amblyopic eyes (Landolt and Sloan), with more pronounced effects in anisometropic patients. Six patients showed improved stereoacuity (Titmus; 4x mixed, 1x anisometropic, 1x stra-bismic amblyopia), persistent only in children (1x strabismic, 1x mixed amblyopia). Four improvements were ob-served with TNO (1x), Lang II (1x), Asteroid (0x), and MNread (1x). Despite positive trends, when comparing re-sults of individual patients, between both eyes, and with standard treatment, consistency of improvements cannot be conclusively demonstrated. One non-severe AE (dizziness) was reported. Conclusions: Following individual cases, VR training improved BCVA and stereoacuity, particularly in children and patients with high compliance. However, considering the cohort as a whole, consistency of effects has to be confirmed in larger groups. Thus, the methodologically sophisticated AMBER study revealed differences in VR treatment efficacy between amblyopia types, children/adults, endpoints and tests, offering precious data for the design of meaningful future studies. It shows that neurovisual plasticity gauged by VR-games offers safe, engaging treatment options for residual amblyopia.

22.
arXiv (CS.AI) 2026-06-12

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.

23.
arXiv (CS.AI) 2026-06-12

Representing Time Series as Structured Programs for LLM Reasoning

arXiv:2606.12481v1 Announce Type: cross Abstract: Large language models (LLMs) have demonstrated strong reasoning and instruction-following capabilities, making them potentially powerful tools for time-series analysis. However, time series lie outside their native textual modality, raising a fundamental question: how should time series be represented so that LLMs can reason about them effectively? Existing work typically serializes raw numerical sequences or fine-tunes pre-trained LLMs on time-series data. These approaches place the burden of extracting temporal structure directly on the LLM, creating a modality mismatch that often degrades performance on long sequences and introduces substantial computational overhead. In this work, we introduce Time-Series-to-Structured-Program representation (T2SP), a deterministic, training-free method that represents a time series as a structured symbolic program. T2SP decomposes time series into trends, periods, and salient events, expressing them in a program-friendly format aligned with the textual and code-like modalities on which LLMs are natively trained. By shifting temporal-structure extraction from the model to the representation itself, T2SP enables off-the-shelf LLMs to leverage their existing reasoning capabilities for time-series understanding. We evaluate T2SP on three reasoning tasks – editing, captioning, and question answering – where it consistently improves performance, reduces reasoning time, and lowers failure rates compared with raw-string representations. Our results demonstrate that T2SP provides an effective interface between time series and LLMs.

24.
arXiv (CS.CL) 2026-06-19

REDACT: A Systematically Controlled Multilingual Benchmark for Personal Information Detection

Benchmark infrastructure for personally identifiable information (PII) detection remains limited: existing corpora cover few entity types, use ad hoc generation conditions, and do not show which surface conditions cause detector failures. We present REDACT, a systematically controlled multilingual PII benchmark with 13,427 records, 324,078 entity annotations, 51 entity types, 4,127 surface-form patterns, and 25 languages across 9 scripts. A strength-2 covering-array sampler controls nine generation axes: domain, format, difficulty, length, density, code-switching, language, adjacency, and co-occurrence. Three entity-level metadata fields (disclosure status, disclosure form, and a GDPR-aligned sensitivity tier) enable stratified evaluation beyond aggregate or per-type F1. From the full benchmark, we evaluate five detectors (Presidio, GLiNER, the OpenAI Privacy Filter, GPT-4.1, and Claude Sonnet 4.6) on a locked, language-stratified sample of 1,000 records. Aggregate F1 masks an architecture-dependent failure structure: the rule-based detector performs poorly on the highest-stakes data, including HIGH-sensitivity categories (recall 0.07) and non-verbatim disclosure forms, while the LLM detectors remain more robust, with the HIGH tier as their strongest sensitivity slice. A three-model reference-free LLM-as-judge assessment corroborates that sensitivity-tier assignment is the task's hardest axis. We release the benchmark, schema, prompts, and stratified evaluation harness.

25.
arXiv (quant-ph) 2026-06-19

Transfer-matrix functions for algebraically decaying interactions in variational infinite matrix product states

作者:

arXiv:2606.20522v1 Announce Type: cross Abstract: Variational infinite matrix product state (iMPS) calculations usually make Hamiltonians with algebraically decaying interactions compatible with standard MPO algorithms by first replacing the target Hamiltonian with a finite-pole sum-of-exponentials surrogate, thereby introducing a Hamiltonian-representation residual. We formulate the fixed-$D$ variational energy without introducing such a surrogate. For a fixed finite-$D$ MPS, the algebraic tail can be summed directly through the connected transfer matrix: the tail $e^{\mathrm{i} Qr}/r^\alpha$ is represented by the matrix function $F_{\alpha,Q}(\widetilde{T}_A)$, with $F_{\alpha,Q}(z)=\operatorname{Li}_\alpha(e^{\mathrm{i} Q}\,z)/z$. We evaluate the resulting matrix-function action using a Krylov method and obtain stable gradients by combining a Fréchet adjoint with implicit fixed-point differentiation. Benchmarks on long-range free fermions and the inverse-square Heisenberg family, including the Haldane–Shastry point, validate the transfer-matrix-function formulation. A long-range Ising-chain calculation illustrates a practical consequence of avoiding a finite-pole Hamiltonian representation. At a fixed, independently known critical field, finite-pole surrogate Hamiltonians can bias a critical diagnostic away from criticality, whereas the matrix-function calculation retains the expected critical signatures of the target algebraic Hamiltonian.