中 EN
登录 注册账户

Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达，利用大语言模型自动生成交叉领域文献分析简报。

登录 注册账户
01.
arXiv (quant-ph) 2026-06-12

Characterizing the functional role of quantum coherence in energy transfer

作者:
Hallmann \'Oskar Gestsson↗Alexandra Olaya-Castro↗

arXiv:2606.13404v1 Announce Type: new Abstract: Quantum coherence is understood to play a role in excitation energy transfer in open quantum systems, yet a quantitative approach to assessing its influence on the transfer process is still missing. Using Nakajima-Zwanzig projection operators, we derive a general memory kernel identity that enables us to characterize and quantify the impact of coherence in the eigenenergy basis on a generalized rate of energy transfer. Applying our approach to the electronic dynamics of a dimer coupled to a structured phonon bath, we demonstrate how quantum coherence acts to modulate energy transfer.

阅读与讨论 → 访问原文 →
02.
medRxiv (Medicine) 2026-06-11

Vascular Phenotyping in Parkinson's Disease: Diabetes Mellitus Operationalizes a Microvascular Metabolic Syndrome Cluster Across PPMI Diagnostic Cohorts

作者:
Belnavis↗Chiu↗Chen↗Thorpe↗Ofori↗

Background: Diabetes mellitus elevates Parkinson's disease (PD) risk, via hypothesized cerebrovascular mediation. Whether the diabetes/prediabetes vascular-risk phenotype concentrates in cardiometabolic risk or macrovascular events across prodromal and clinically diagnosed PD remains unresolved. Objectives: To quantify the vascular-risk burden associated with diabetes/prediabetes across the PPMI diagnostic cohorts to test whether this association differs by cohort. Methods: Cross-sectional analysis of 413 PPMI participants (76 healthy controls, 145 prodromal PD, 192 clinically diagnosed PD) examined diabetes/prediabetes (n = 73) and seven vascular risk factors. The Vascular Burden Score (0 to 7) was a priori partitioned into microvascular and macrovascular sub-scores. Modified Poisson regression estimated adjusted prevalence ratios (aPR), adjusted for age, sex, and body mass index. A cohort-by-diabetes interaction tested cross-cohort consistency. Sensitivity analyses incorporated nigral diffusion tensor imaging (PD-risk biomarker) and FreeSurfer white matter hypointensity volume (cerebrovascular marker). Results: Diabetes/prediabetes elevated Vascular Burden Score ({beta} = 0.53, 95% CI 0.29 to 0.77, p < 0.001) versus non-diabetic participants, with a non-significant cohort-by-diabetes interaction (F = 0.29, p = 0.747). Three microvascular factors survived false discovery rate correction: obesity (aPR 2.28), hypertension (aPR 1.60), and hyperlipidemia (aPR 1.45). Macrovascular events showed no diabetic amplification ({beta} = -0.06, p = 0.25). In the imaging-phenotyped subset, Vascular Burden Score components contributed classifier variance distinct from nigral microstructure. Conclusions: Diabetes/prediabetes operationalize a microvascular cluster stable across prodromal and idiopathic PD. Cardiometabolic phenotyping may complement established PD-risk biomarkers (dopamine transporter SPECT, nigral diffusion), pending longitudinal validation linking vascular phenotype to dopaminergic markers.

阅读与讨论 → 访问原文 →
03.
arXiv (CS.CV) 2026-06-16

Differentiable Packing of Irregular 3D Objects with Adaptive Container Estimation

作者:
Palak Gupta↗Shanmuganathan Raman↗

Most existing approaches either fix the container in advance or optimize only a single container dimension through an outer search loop, leaving the remaining dimensions as a manual tuning problem. We present a differentiable packing framework that jointly optimizes all 6N object pose parameters and all three container side lengths inside a single gradient-based loop. The formulation combines six physics-inspired, differentiable loss terms computed directly on triangle meshes through axis-aligned bounding-box proxies. An adaptive squeezing mechanism periodically tightens the container whenever the overlap loss falls below a pair-count-scaled threshold, producing a large initial drop in container volume, followed by small refinements. All pairwise computations are written in tensor-broadcasting form, giving a 3.4 to 54 times speedup over a reference loop-based implementation. The pipeline is implemented in Python and PyTorch, with no physics engine, FFT library, or convex decomposition. On multiple object categories, the method produces containers that are 11 to 32 percent smaller than time-matched DBLF and simulated-annealing baselines at N =100, while running in under 4 minutes per instance on a single consumer GPU.

阅读与讨论 → 访问原文 →
04.
arXiv (CS.AI) 2026-06-19

CADBench: A Multimodal Benchmark for AI-Assisted CAD Program Generation

作者:
Anna C. Doris↗Jacob Thomas Sony↗Ghadi Nehme↗Era Syla↗Amin Heyrani Nobari↗Faez Ahmed↗

arXiv:2605.10873v2 Announce Type: replace-cross Abstract: Recovering editable CAD programs from images or 3D observations is central to AI-assisted design, but progress is difficult to measure because existing evaluations are fragmented across datasets, modalities, and metrics. We introduce CADBench, a unified benchmark for multimodal CAD program generation. CADBench contains 18,000 evaluation samples spanning six benchmark families derived from DeepCAD, Fusion 360, ABC, MCB, and Objaverse; five input modalities including clean meshes, noisy meshes, single-view renders, photorealistic renders, and multi-view renders; and six metrics covering geometric fidelity, executability, and program compactness. STEP-based families are stratified by B-rep face count and all families are diversity-sampled to support controlled analysis across complexity and object variation. We benchmark eleven CAD-specialized and general-purpose vision-language systems, generating more than 1.4 million CAD programs. Under idealized inputs, specialized mesh-to-CAD models substantially outperform code-generating VLMs, which remain far from reliable CAD program reconstruction. CADBench further reveals three recurring failure modes: reconstruction quality degrades with geometric complexity, CAD-specialized models can be brittle under modality shift, and model rankings change across metrics. Together, these results position CADBench as a diagnostic testbed for measuring progress in editable 3D reconstruction and multimodal CAD understanding. The benchmark is publicly available at https://github.com/anniedoris/CADBench.

阅读与讨论 → 访问原文 →
05.
arXiv (CS.AI) 2026-06-12

DailyReport: An Open-ended Benchmark for Evaluating Search Agents on Daily Search Tasks

作者:
Jingxuan Han↗Wei Liu↗Mingyang Zhu↗Youpeng Wang↗Ziwen Wang↗Lin Qiu↗Xuezhi Cao↗Xunliang Cai↗Zheren Fu↗Licheng Zhang↗Zhendong Mao↗

arXiv:2606.12871v1 Announce Type: new Abstract: Search Agents (SAs) typically leverage large language models (LLMs) to support complex information-seeking tasks by autonomously exploring web sources and synthesizing information into comprehensive responses. For SAs evaluation, prior benchmarks mainly focus on specialized tasks that are unlikely to arise in real-world user scenarios. Moreover, their reliance on coarse task-level rubrics often limits evaluation interpretability. To bridge this gap, we introduce DailyReport, an open-ended benchmark to evaluate SA capabilities on daily search tasks. It contains 150 open-ended tasks with 3,546 associated rubrics, capturing widely discussed and timely information demands of real-world users. Each task is decomposed into subtasks and evaluated with cascade rubrics across disentangled dimensions. Through cascade performance attribution and user-centric aggregation, we derive highly interpretable scores for each dimension, along with a user preference score. Our results on 17 agentic systems show that current systems still fall short of users' expectations. To facilitate future research, our dataset and code are made publicly available at https://github.com/AGI-Eval-Official/DailyReport.

阅读与讨论 → 访问原文 →
06.
arXiv (quant-ph) 2026-06-11

Measurement incompatibility and quantum steering via linear programming

作者:
Lucas E. A. Porto↗S\'ebastien Designolle↗Sebastian Pokutta↗Marco T\'ulio Quintino↗

arXiv:2506.03045v3 Announce Type: replace Abstract: The problem of deciding whether a set of quantum measurements is jointly measurable is known to be equivalent to determining whether a quantum assemblage is unsteerable. This problem can be formulated as a semidefinite program (SDP). However, the number of variables and constraints in such a formulation grows exponentially with the number of measurements, rendering it intractable for large measurement sets. In this work, we circumvent this problem by transforming the SDP into a hierarchy of linear programs that compute upper and lower bounds on the incompatibility robustness with a complexity that grows polynomially in the number of measurements. The hierarchy is guaranteed to converge and it can be applied to arbitrary measurements – including non-projective POVMs (Positive Operator-Valued Measures) – in arbitrary dimensions. While convergence becomes impractical in high dimensions, in the case of qubits our method reliably provides accurate upper and lower bounds for the incompatibility robustness of sets with several hundred measurements in a short time using a standard laptop. We also apply our methods to qutrits, obtaining non-trivial upper and lower bounds in scenarios that are otherwise intractable using the standard SDP approach, although such bounds are significantly looser than the ones obtained in the qubit case. Finally, we show how our methods can be used to construct local hidden state models for states (i.e., to prove that a state cannot lead to steering under any possible local measurements), or conversely, to certify that a given state exhibits steering; for two-qubit quantum states, our approach is comparable to, and in some cases outperforms, the current best methods.

阅读与讨论 → 访问原文 →
07.
arXiv (CS.LG) 2026-06-17

Meta-classification of one-class classification models using ranking correlation and nearest neighbor

作者:
Toshitaka Hayashi↗Hamido Fujita↗Dalibor Cimr↗Richard Cimler↗Jitka K\"uhnov\'a↗

arXiv:2606.17858v1 Announce Type: new Abstract: Machine Learning (ML) techniques have been applied to various problems. However, applying ML to ML models is an unexplored direction. For this purpose, this paper considers a meta-classification of one-class classification (OCC) models, because all ML models could be approximated as OCC models. The proposal represents OCC models as normality rankings and classifies them using nearest-neighbor and ranking-correlation metrics. The experiment classifies OCC models, where classes correspond to training datasets, algorithms, and hyperparameters. The proposal achieves high accuracy when class labels are datasets. Moreover, it can classify algorithms when the training datasets contain the same class. In addition, the discussion highlights that the classification of OCC models is essentially the classification of datasets that treats multiple samples as a single input. The experiment demonstrates the classification of datasets using sleeping records. The proposed method can provide a unified solution for classifying OCC models, datasets, and rankings. Source code is uploaded to the public repository https://github.com/ToshiHayashi/ClassOCC.

阅读与讨论 → 访问原文 →
08.
arXiv (math.PR) 2026-06-16

An Analytical Methodology for Quantifying Airspace Conflict Rate and Complexity

作者:
Andrew P. Kendall↗John-Paul Clarke↗

arXiv:2606.14897v1 Announce Type: cross Abstract: Air traffic growth, advanced air mobility, and increasingly autonomous operations are driving the need for scalable and adaptive airspace design methodologies. Central to this challenge is quantifying how traffic flow structure and demand, governed in part by airspace geometry, influence conflict generation and operational complexity. This paper presents an analytical framework for computing conflict rate and conflict probability in structured airspace using stochastic flow models. Traffic streams are modeled as renewal processes with prescribed inter-arrival time distributions, while interactions between flows are captured through geometry-dependent minimum spacing constraints at merges and crossings. Within this formulation, closed-form upper bounds on the expected conflict rate and conflict probability per aircraft are derived as functions of flow configuration and demand. These metrics are interpreted as complementary measures of airspace complexity, reflecting controller workload and per-aircraft operational risk. The methodology is applied to representative hexagonal cell geometries with varying routing structures and flow distributions. Results reveal non-monotonic tradeoffs between routing flexibility, capacity, and conflict generation, with intermediate flow configurations outperforming both highly constrained and highly distributed cases. The proposed framework provides a tractable tool for evaluating airspace design alternatives and complexity-informed traffic management strategies.

阅读与讨论 → 访问原文 →
09.
arXiv (quant-ph) 2026-06-19

Electrical Noise Produced by Micron-Sized Particles above a Surface Paul Trap

作者:
Ben Saarel↗Ozgur Sahin↗Hartmut H\"affner↗Alpha T. N'Diaye↗

arXiv:2606.19585v1 Announce Type: new Abstract: Electric field noise produced by the surface of ion trap electrodes reduces the fidelity of quantum computing operations. Despite decades of investigation its microscopic origins remain unclear. Here, we measure electric field noise at trapping locations along the symmetry axis of a linear surface Paul trap. We find that noise levels vary by three orders-of-magnitude in one 600$\,\mu$m section of the trap. Optical and scanning electron microscope images show micron-sized particles close to the trapping locations with the highest noise levels. We find that modeling the particles as a lossy dielectric with a effective loss tangent $\tan\theta=0.33(0.06)$ describes the magnitude of the noise, as well as its spatial and frequency dependence. Our observations may explain the large variation of reported noise levels in literature.

阅读与讨论 → 访问原文 →
10.
arXiv (CS.LG) 2026-06-19

Linear Mode Connectivity under Data Shifts for Deep Ensembles of Image Classifiers

作者:
C. Hepburn↗T. Zielke↗A. P. Raulf↗

arXiv:2511.04514v2 Announce Type: replace Abstract: The phenomenon of linear mode connectivity (LMC) links several aspects of deep learning, including training stability under noisy stochastic gradients, the smoothness and generalization of local minima (basins), the similarity and functional diversity of sampled models, and architectural effects on data processing. In this work, we experimentally study LMC under data shifts and identify conditions that mitigate their impact. We interpret data shifts as an additional source of stochastic gradient noise, which can be reduced through small learning rates and large batch sizes. These parameters influence whether models converge to the same local minimum or to regions of the loss landscape with varying smoothness and generalization. Although models sampled via LMC tend to make similar errors more frequently than those converging to different basins, the benefit of LMC lies in balancing training efficiency against the gains achieved from larger, more diverse ensembles. Code and supplementary materials are available at https://github.com/DLR-KI/LMC. This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible.

阅读与讨论 → 访问原文 →
11.
arXiv (CS.CL) 2026-06-19

EndoCoT: Scaling Endogenous Chain-of-Thought Reasoning in Diffusion Models

作者:
Xuanlang Dai↗Yujie Zhou↗Long Xing↗Jiazi Bu↗Xilin Wei↗Yuhong Liu↗Beichen Zhang↗Kai Chen↗Yuhang Zang↗

Recently, Multimodal Large Language Models (MLLMs) have been widely integrated into diffusion frameworks primarily as text encoders to tackle complex tasks such as spatial reasoning. However, this paradigm suffers from two critical limitations: (i) MLLMs text encoder exhibits insufficient reasoning depth. Single-step encoding fails to activate the Chain-of-Thought process, which is essential for MLLMs to provide accurate guidance for complex tasks. (ii) The guidance remains invariant during the decoding process. Invariant guidance during decoding prevents DiT from progressively decomposing complex instructions into actionable denoising steps, even with correct MLLM encodings. To this end, we propose Endogenous Chain-of-Thought (EndoCoT), a novel framework that first activates MLLMs' reasoning potential by iteratively refining latent thought states through an iterative thought guidance module, and then bridges these states to the DiT's denoising process. Second, a terminal thought grounding module is applied to ensure the reasoning trajectory remains grounded in textual supervision by aligning the final state with ground-truth answers. With these two components, the MLLM text encoder delivers meticulously reasoned guidance, enabling the DiT to execute it progressively and ultimately solve complex tasks in a step-by-step manner. Extensive evaluations across diverse benchmarks (e.g., Maze, TSP, VSP, and Sudoku) achieve an average accuracy of 92.1%, outperforming the strongest baseline by 8.3 percentage points. The code and dataset are publicly available at https://internlm.github.io/EndoCoT/.

阅读与讨论 → 访问原文 →
12.
arXiv (CS.AI) 2026-06-19

eCNNTO: A Highly Generalizable ConvNet for Accelerating Topology Optimization

作者:
Shengbiao Lu↗Xiaodong Wei↗

arXiv:2606.19921v1 Announce Type: new Abstract: This work proposes an element-based Convolutional Neural Network (CNN) to accelerate density-based Topology Optimization (TO), termed eCNNTO. TO generally undergoes a large number of iterations, where finite element analysis is performed in every iteration, leading to the efficiency bottleneck especially when dense meshes are used to achieve high-resolution designs. To address this limitation, eCNNTO is proposed to build upon Kallioras et al. (2020), where a Deep Belief Network (DBN) was trained for every element to predict its near-optimal density from its early history, thereby skipping the great majority of iterations and significantly accelerating the TO procedure. However, the method lacks spatial correlations among neighboring elements and may lead to disconnected features in the final structure. The proposed method employs CNN with residual connections to address this issue. On top of it, a novel training strategy is introduced to further enhance the optimization efficiency, where the training dataset consists of the final stage density histories rather than early ones. This change can also help reduce the required training data size. eCNNTO requires only a small dataset to train and yet it can be generalized to problems with largely different boundary conditions, loading cases, design domain geometries, mesh resolutions, as well as non-design domains. In the end, the generalization capabilities and efficiency of eCNNTO are demonstrated through a variety of examples in two and three dimensions, achieving up to 90% and 97% reduction of iterations, respectively.

阅读与讨论 → 访问原文 →
13.
arXiv (CS.CV) 2026-06-16

Variational Test-time Optimization for Diffusion Synchronization

作者:
Hyunsoo Lee↗Farrin Marouf Sofian↗Kushagra Pandey↗Stephan Mandt↗

Collaborative generation, which coordinates multiple diffusion trajectories to extend the capabilities of pretrained priors, has emerged as a powerful paradigm for extending the applicability of diffusion models. Among existing approaches, diffusion synchronization provides a scenario-agnostic solution by introducing general guidance mechanisms. However, current synchronization approaches rely heavily on heuristics and still require task-specific tailoring, which limits their generalizability and performance. In this work, we mathematically derive a synchronization framework based on optimal control, providing a principled explanation of diffusion synchronization. During sampling, we optimize control variables to guide multiple trajectories toward coherent solutions while remaining close to the underlying diffusion prior. Our method operates entirely at test-time without additional training, thereby enabling broad applicability across diverse generation scenarios when combined with strong pretrained priors. We demonstrate consistent improvements over baselines on three representative collaborative generation tasks, covering a wide range of modalities and applications. Beyond performance gains, our work establishes a novel foundation for collaborative generation, opening a principled path toward extending pretrained generative models to new collaborative generation settings.

阅读与讨论 → 访问原文 →
14.
arXiv (CS.AI) 2026-06-17

Brick-DICL: Dynamic In-Context Learning for Automated Brick Schema Classification

作者:
Yiyue Qian↗Shinan Zhang↗Huan Song↗Negin Sokhandan↗Hannah Marlowe↗Diego Socolinsky↗

arXiv:2606.17637v1 Announce Type: new Abstract: Building Management Systems (BMS) are essential for optimizing energy efficiency and operational performance in modern buildings. However, the lack of standardization across BMS points from different manufacturers creates significant barriers to integration and data utilization. While the Brick schema offers a standardized ontology for building systems, mapping BMS points to appropriate Brick classes presents three critical challenges: (i) the extensive number of Brick classes (936 in the latest version), (ii) limited domain-specific knowledge in large language models (LLMs), and (iii) substantial manual effort required for verification. To address these challenges, we propose Brick-DICL, a two-stage dynamic in-context learning framework for automated Brick schema classification. Brick-DICL consists of two primary components: metadata-RAG, which retrieves relevant examples to enhance LLMs' domain knowledge, and class-RAG, which narrows down potential Brick classes to address the large classification space. Additionally, we implement a multi-LLM filtering mechanism that compares predictions across multiple models, flagging low-confidence classifications for human review. As a result: (i) General: Brick-DICL is applicable to any building management system regardless of manufacturer or metadata format; (ii) Novel and Powerful: as the first dynamic in-context learning approach for Brick schema classification, Brick-DICL achieves significant classification accuracy improvements on building datasets, outperforming existing methods; (iii) Efficient: our multi-LLM filtering strategy reduces manual verification effort, enabling rapid digital building onboarding. Extensive experiments demonstrate Brick-DICL's effectiveness across diverse building datasets, accelerating the path toward standardized, interoperable building management systems.

阅读与讨论 → 访问原文 →
15.
arXiv (CS.AI) 2026-06-11

Beyond Continuity: Simulation-free Reconstruction of Discrete Branching Dynamics from Single-cell Snapshots

作者:
Junda Ying↗Yuxuan Wang↗Bowen Yang↗Peijie Zhou↗Lei Zhang↗

arXiv:2605.00545v2 Announce Type: replace-cross Abstract: Inferring cellular trajectories from destructive snapshots is complicated by the challenges of stochasticity and non-conservative mass dynamics such as cell proliferation and apoptosis. Existing unbalanced Optimal Transport (OT) methods treat mass as a continuous fluid, performing inference at the population level. However, this macroscopic view often fails to capture the discrete, jump-like nature of birth-death events at single-cell resolution, which is essential for understanding lineage branching and fate decisions. We present Unbalanced Schrödinger Bridge (USB), a simulation-free framework for learning underlying dynamics that effectively integrates both stochastic and unbalanced effects which also models the discrete, jump-like birth-death dynamics at single-cell resolution. Theoretically, USB provides a tractable solution to the Branching Schrödinger Bridge (BSB) problem, offering a rigorous microscopic interpretation where individual cells undergo both Brownian motion and discrete birth-death jumps. Technically, the method implements an efficient solver by introducing a simulation-free training objective that effectively scales to high-dimensional omics data. Empirically, we demonstrate on both simulated and real-world datasets that USB not only achieves trajectory reconstruction performance better than or comparable to deterministic baselines but also uniquely enables realistic discrete simulation of birth-death dynamics at single-cell resolution.

阅读与讨论 → 访问原文 →
16.
arXiv (CS.LG) 2026-06-19

Online Dynamic Batching with Formal Guarantees for LLM Training

作者:
Dian Li↗Zekun Wang↗Yaoru Wang↗Jiahong Yan↗

arXiv:2606.19989v1 Announce Type: cross Abstract: Modern LLM training breaks a core assumption behind offline batch samplers: the true training cost of a sample is only observable after preprocessing, augmentation, templating, tokenization, and multimodal visual-token expansion. Unless one pays for a preprocessing- and augmentation-dependent length cache, batch construction is therefore blind to the quantity that determines padding, memory use, and GPU saturation. We introduce Online Dynamic Batching (ODB), a DataLoader-side drop-in system that moves batch formation to this point of accurate observability while preserving DDP step alignment. We formalize this synchronization requirement as the Distributed Group Alignment Problem and prove deadlock-free bounded termination with default join-mode identity coverage and opt-in non-join sample-quota closure. ODB requires no model, optimizer, or attention-kernel changes and is released as online-dynamic-batching with lightweight trainer adapters. Across public 2B/8B Qwen3-VL runs on UltraChat/LLaVA/ShareGPT4o, ODB improves literal emitted-sample throughput vs. fixed-batch Standard by 1.58-2.51x on single-node Full FT/LoRA and 1.71-3.78x on two-node Full FT, with Standard-comparable quality; production MM-Mix reaches 4.43x. Against GMT/BMT offline token-budget oracles, ODB is within 15% on UltraChat/LLaVA and faster on high-CV ShareGPT4o: 2.24-2.39x single-node Full FT/LoRA and 3.06-3.69x two-node Full FT. Together, ODB occupies the online/drop-in regime for high-heterogeneity LLM fine-tuning: large throughput gains at Standard-comparable quality, formal DGAP guarantees, and no length-cache precompute or kernel rewrites.

阅读与讨论 → 访问原文 →
17.
arXiv (quant-ph) 2026-06-16

Finite-Element Matrix Product States for Continuum Models in One Dimension

作者:
Akshay Shankar↗Karel Van Acoleyen↗Jutho Haegeman↗

arXiv:2606.14873v1 Announce Type: new Abstract: We present a matrix product state framework for simulating one-dimensional quantum many-body systems in the continuum using non-orthogonal single-particle basis sets. By mapping the physical problem to an auxiliary computational space, we show that the resulting many-body overlap operator can be efficiently encoded as a matrix product operator for sufficiently localized orbitals, thereby generalizing a construction that first appeared in [arXiv:2405.10285]. This construction recasts the variational ground-state search into a generalized eigenvalue problem, which can be solved using a generalized density matrix renormalization group algorithm. As a primary application, we employ a first-order finite-element expansion to study the ground state properties of the Lieb-Liniger gas in the presence of inhomogeneities. This approach also provides a natural setting for exactly refining the lattice, thereby enabling multigrid optimization strategies for matrix product states.

阅读与讨论 → 访问原文 →
18.
arXiv (CS.LG) 2026-06-12

Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design

作者:
Lisa Schneckenreiter↗Sohvi Luukkonen↗Lukas Friedrich↗Daniel Kuhn↗G\"unter Klambauer↗

arXiv:2601.09693v3 Announce Type: replace Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for predefined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.

阅读与讨论 → 访问原文 →
19.
Nature (Science) 2026-06-15

Nanocrystal-tailored recombination for all-perovskite tandem solar modules

作者:
Ke Xiao↗

The commercialization of all-perovskite tandem solar modules is hindered by the reliance on the conventional gold-based tunnel recombination junction (TRJ)1,2. Specifically, this TRJ introduces substantial near-infrared parasitic absorption3 and suffers from interfacial instability4, limiting both photocurrent generation and operational durability. Here, we develop a solution-processed interconnecting layer based on surface-engineered indium oxide (In2O3) nanocrystals featuring high optical transparency, wherein controlled nanocrystal morphology and tailored ligand chemistry enable smooth interfacial contact and favorable energy level alignment. Critically, we introduce a phosphonic acid additive into the lead–tin (Pb–Sn) perovskite precursor, which synergistically improves the electronic contact with the In2O3 recombination layer, thereby enhancing hole extraction. In addition, the additive regulates perovskite crystallization to mitigate residual strain during film formation, ensuring high-quality large-area deposits. This coordinated interfacial and crystallization engineering strategy simultaneously enhances carrier recombination efficiency at the interconnection layer, improves carrier extraction, and promotes large-area film uniformity in all-perovskite tandems. As a result, a 65-cm2 all-perovskite tandem solar module achieves a certified power conversion efficiency of 26.2%5, with an open-circuit voltage of 2.182 V, a fill factor of 77.4%, and a short-circuit current density of 15.6 mA cm-2 in terms of averaged subcell performance, measured by Japan Electrical Safety and Environment Technology Laboratories (JET). This marks a significant advance toward scalable perovskite tandem photovoltaics.

阅读与讨论 → 访问原文 →
20.
arXiv (CS.CL) 2026-06-11

A Resource for Enthymeme Detection in Controversial Political Discourse

作者:
Martial Pastor↗Nelleke Oostdijk↗

Enthymemes, arguments with unstated premises or conclusions, are pervasive in persuasive discourse, yet their annotation remains notoriously subjective. We present a resource of 1,482 tweets from politically controversial discourse, annotated by five annotators for the presence of enthymemes and their argument structure, designed to study label variation. We first revisit the definition of enthymemes and propose annotation guidelines anchored in Walton's argumentation schemes, offering a structured and constrained approach that nonetheless preserves room for the interpretive nature of the task. This contrasts with past resources, which tend to eliminate disagreement, obscuring its sources and preventing investigation of its potential benefits for model performance. We further propose a complexity analysis of the task, identifying where annotation imposes high cognitive load and may give rise to inconsistent annotation. Our preliminary experiments show that models trained on annotator disagreement outperform models trained on hard majority-vote labels. We close by reflecting on how structural openness in enthymeme definitions and guidelines enables the study of variation in subjective inferential processes for future resources and downstream NLP applications concerned with human inference.

阅读与讨论 → 访问原文 →
21.
arXiv (CS.CV) 2026-06-18

Where Will They Go? Modelling Multimodal Pedestrian Manoeuvres from Ego-centric Videos

作者:
Yuxuan Xie↗Nicolas Pugeault↗Chongfeng Wei↗Hubert P. H. Shum↗Edmond S. L. Ho↗

Pedestrian trajectory prediction from an ego-centric camera is challenging since it depends on complex interactions with vehicles and scene context, as well as the intention of the pedestrian. By modelling correlation and intent from the historical and future trajectories of the pedestrian, it will usually result in a multimodal (i.e. multiple modes) distribution. Existing stochastic predictors often sample multiple futures from a single unimodal distribution, which can yield sub-optimal 'mixed-mode' trajectories that lie between distinct motion patterns and become implausible in real scenes. In this paper, we propose MMPM, a mode-aware framework that separately models future trajectory distributions into semantically meaningful modes based on the pedestrian's crossing behavior. MMPM consists of two modules: behavior-aware Pedestrian Interaction Module (PIM) that jointly captures pedestrian-vehicle and pedestrian-environment interactions by introducing gaze, head and hand gesture, and a CVAE-based Mode-aware Trajectory Predictor (MTP) module to model the future trajectory distributions on two modes, crossing and non-crossing the road, separately. A query-based decoder further enforces mode consistency during decoding. Experiments on PIE and JAAD datasets show that our method surpasses state-of-the-art baselines. Our proposed MTP is model-agnostic, which can be integrated into existing frameworks such as BiTrap-NP and SGNet-ED to further improve future trajectory prediction performance. We additionally introduce a data-driven validation protocol that matches predictions to spatio-temporally consistent ground-truth trajectories, demonstrating improved frame-wise displacement errors over previous work.

阅读与讨论 → 访问原文 →
22.
medRxiv (Medicine) 2026-06-15

Beyond the Apnea-Hypopnea Index: Physiological and Demographic Predictors of Excessive Daytime Sleepiness in Obstructive Sleep Apnea

作者:
Tan↗Parekh↗Wickramaratne↗S. D↗

Excessive daytime sleepiness (EDS) is a common but inconsistently predicted symptom of obstructive sleep apnea (OSA). OSA is typically diagnosed with polysomnography (PSG), and the current standard for severity assessment is the apnea-hypopnea index (AHI). AHI has many limitations, including its inability to explain physiological mechanisms or reflect variability in patient symptoms, such as EDS. This retrospective study aims to find physiological and demographic parameters that better predict EDS in patients with OSA and to evaluate whether these parameters outperform AHI using PSG data from the Mount Sinai Integrative Sleep Center. Clinical variables used to predict EDS included arousal index (AI), average oxygen desaturation during sleep, average heart rate during sleep, and AHI, along with demographic variables including age, sex, and BMI. Hypothesis tests, logistic regression models, and decision tree classifier models were performed on the data to discriminate sleepy from nonsleepy patients as determined by an Epworth Sleepiness Scale (ESS) score [&ge;] 10. AI and oxygen desaturation were found to be the most predictive physiological variables, and sex and BMI were found to be the most predictive demographic variables. The final decision tree model with these four variables outperformed the AHI in predicting EDS. These findings suggest that daytime sleepiness in OSA can be better explained by measures of apnea burden, oxygenation impairment, and patient demographics than by AHI alone, although these remain only modestly predictive. Future studies should focus on investigating more comprehensive physiological markers, multi-night sleep data, and more objective assessments of sleepiness.

阅读与讨论 → 访问原文 →
23.
Nature (Science) 2026-06-10

A 5.3-million-year-old deep-sea whale necropolis in the Diamantina Zone

作者:
Xiaotong Peng↗

Whale falls are biodiversity oases at seabeds1–6, yet their record from the oceans has remained sparse and fragmentary6,7. Here we report the discovery of a vast whale necropolis in the Diamantina Zone (4,616- to&nbsp;7,001-m depth), extending about 1,200 km along the sea floor of the southeastern Indian Ocean. This area has a deep and extensive accumulation comprising five modern natural whale-fall communities and 476 fossil cetaceans recorded. We show that carcasses host specialized communities dominated by brittle stars, bone-boring worms and chemosynthesis-based bivalves and that the fossil record in this area comprises both extant and extinct deep-diving beaked whales. Isotopic dating shows that whale falls in this region have occurred since at least 5.3 million years ago. These findings reshape the understanding of the limits and biogeography of whale-fall ecosystems and establish some deep sea floors as a fossil archive for tracing cetacean evolution over geological time. Researchers uncovered an enormous deep-sea accumulation of whale remains in the southeastern Indian Ocean, showing long-term, specialized ecosystems and an extensive fossil record that offers new insight into deep-ocean biodiversity and whale evolutionary history.

阅读与讨论 → 访问原文 →
24.
arXiv (CS.LG) 2026-06-18

Task-Adaptive Parameter-Efficient Fine-Tuning for Weather Foundation Models

作者:
Shilei Cao↗Hehai Lin↗Jiashun Cheng↗Yang Liu↗Guowen Li↗Xuehe Wang↗Juepeng Zheng↗Haoyuan Liang↗Meng Jin↗Chengwei Qin↗Hong Cheng↗Haohuan Fu↗…

arXiv:2509.22020v2 Announce Type: replace Abstract: While recent advances in machine learning have equipped Weather Foundation Models (WFMs) with substantial generalization capabilities across diverse downstream tasks, the escalating computational requirements associated with their expanding scale increasingly hinder practical deployment. Current Parameter-Efficient Fine-Tuning (PEFT) methods, designed for vision or language tasks, fail to address the unique challenges of weather downstream tasks, such as variable heterogeneity, resolution diversity, and spatiotemporal coverage variations, leading to suboptimal performance when applied to WFMs. To bridge this gap, we introduce WeatherPEFT, a novel PEFT framework for WFMs incorporating two synergistic innovations. First, during the forward pass, Task-Adaptive Dynamic Prompting (TADP) dynamically injects the embedding weights within the encoder to the input tokens of the pre-trained backbone via internal and external pattern extraction, enabling context-aware feature recalibration for specific downstream tasks. Furthermore, during backpropagation, Stochastic Fisher-Guided Adaptive Selection (SFAS) not only leverages Fisher information to identify and update the most task-critical parameters, thereby preserving invariant pre-trained knowledge, but also introduces randomness to stabilize the selection. We demonstrate the effectiveness and efficiency of WeatherPEFT on three downstream tasks, where existing PEFT methods show significant gaps versus Full-Tuning, and WeatherPEFT achieves performance parity with Full-Tuning using fewer trainable parameters. The code of this work is available at https://github.com/ShileiCao/WeatherPEFT.

阅读与讨论 → 访问原文 →
25.
arXiv (quant-ph) 2026-06-16

Quantum optimal control of steady orbits

作者:
Shebha Anandhi Jegadeesan↗Yujie Zhao↗Robert Hunter↗Hassane El Mkami↗Maximilian Keitel↗Callum Musselwhite↗Graham Smith↗Guinevere Mathies↗Ilya Kuprov↗

arXiv:2606.15383v1 Announce Type: new Abstract: Periodically driven dissipative systems can settle into steady orbits - fixed loops on their dynamical manifolds. In quantum mechanics, steady orbits occur in cooling engines (used to initialise quantum devices), coherent oscillators (such as lasers and masers), precision metrology devices (atomic clocks, optical and spin magnetometers), and magnetic resonance (steady state free precession, dynamic nuclear polarisation). Steady orbits and stroboscopic steady states are a promising target for quantum optimal control, but the numerical complexity is prohibitive: the infinite loop defeats gradient ascent pulse engineering (GRAPE) which relies on explicit numerical propagation in the time domain. Here we propose an efficient quantum control strategy for stroboscopic steady states and limit cycles that are approached asymptotically when a control sequence is repeated infinitely many times. The formalism is different from Floquet-Lindblad state engineering and effective Hamiltonian theories: it finds control sequences that drive a dissipative quantum system towards a steady orbit passing through user-specified waypoints. The software implementation (same numerical complexity scaling as GRAPE) is done for the Spinach library.

阅读与讨论 → 访问原文 →