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01.
arXiv (quant-ph) 2026-06-25

Tensor network characterization and mitigation of readout errors

arXiv:2606.25974v1 Announce Type: new Abstract: Readout errors are a major bottleneck to extracting reliable information from near-term quantum processors, especially when spatial correlations are non-negligible. We present a unified tensor-network framework that models the readout process as a matrix product operator (MPO), enabling efficient characterization and mitigation beyond uncorrelated approximations. The MPO model is trained via likelihood optimization on calibration data and applies to multiple tasks, including nonlocal observable estimation, random circuit sampling, and random-measurement protocols, such as classical shadows and learning-based tomography. Experiments on a superconducting processor and numerical simulations up to 20 qubits show that the MPO model captures correlated readout errors that uncorrelated models miss, with a sample cost that grows only near-linearly with system size. When extended to two-dimensional systems, the framework can also be integrated with tensor-network quantum error-correction decoders by performing joint inference over data and readout errors. These results establish tensor-network readout error mitigation as a scalable and versatile approach for noise-aware quantum data processing.

03.
arXiv (CS.CL) 2026-06-11

When Roleplaying, Do Models Believe What They Say?

Language models can state that "the Earth orbits the Sun" and, when role-playing Aristotle, assert the opposite. Recent work argues that persona adoption is fundamental to how language models operate, with models constantly selecting the most appropriate persona for a given context. Does such role-playing merely change the model's outputs, or does it also affect what the model internally represents as truthful? We study this question with linear truth probes, applying them to LLMs role-playing historical personas whose likely beliefs differ from modern consensus. For each persona, we compare false claims the persona would likely have endorsed (*era-believed*) with topic-matched false claims they would not have endorsed (*era-false*). Across prompting, in-context learning, and supervised fine-tuning, persona induction suppresses era-believed statements less than equally false alternatives, yet they remain classified as false overall. Role-play therefore shifts what these models say more than what they internally represent as true. We contrast this with models trained on harmful advice that exhibit Emergent Misalignment (EM). Across three model families (Qwen 2.5 14B, Qwen 3 8B, and Llama 3.3 70B), their false claims move substantially toward the true region of probe space, are defended under challenge roughly half the time versus about a sixth for role-play, and are used in downstream reasoning. Role-play and Emergent Misalignment thus are points on a spectrum of belief internalization, where role-play changes what a model says with little representational change, while Emergent Misalignment shifts the internal representation of false claims without fully marking them as true.

04.
arXiv (CS.CV) 2026-06-25

Benchmarking Vision-Language Models for Microscopic Plant Image Understanding

Microscopic imaging provides essential visual evidence for studying plant biology and pathology at the cellular and subcellular levels. However, existing benchmarks on vision-language models primarily focus on macroscopic plant imagery, while the microscopic domain remains underexplored. To address this gap, we present PlantMicro, a comprehensive benchmark for evaluating vision-language models (VLMs) in microscopic plant imagery. PlantMicro integrates more than 5,000 images collected across diverse hosts, biological domains, and imaging modalities. Building on this diversity, we design a set of complementary tasks that capture different facets of microscopic image understanding. To support these tasks, we construct over 9,000 VQA pairs that systematically evaluate the capabilities of VLMs. Experiments on PlantMicro show that current VLMs struggle with fine-grained recognition and biologically grounded reasoning. For example, GPT-5 achieves 34.93% accuracy on the pathogen classification task, which is only modestly above the random-guessing baseline. The results highlight a significant gap in current VLMs' ability to comprehend plant microscopic images. PlantMicro provides a standardized foundation for advancing VLMs toward reliable and comprehensive microscopy-level plant understanding.

05.
PLOS Medicine 2026-05-21

Novel symptoms associated with eclampsia could improve detection and save lives

by Alice Beardmore-Gray, Andrew Shennan Eclampsia is a life-threatening complication of pre-eclampsia, yet remains difficult to predict. In this Perspective, Alice Beardmore-Gray and Andrew Shennan highlight a recent study that identifies 10 novel prodromal symptoms of eclampsia, with potential to better predict which women are at risk and therefore reduce delays in intervention.

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

Subsystem Quantum Error Correction for Noisy Quantum Metrology

arXiv:2606.19628v1 Announce Type: new Abstract: Quantum error correction has been successfully applied to enhance the precision of parameter estimation in the presence of noise. Nonetheless, existing methods require a number of noiseless, controllable ancillae and lack efficient encoding and decoding procedures. In this Letter, we demonstrate that subsystem error correction provides a new direction that can substantially simplify the metrological protocol. We derive general conditions under which subsystem stabilizer codes achieve the Heisenberg limit and show that, for broad classes of noise, this can be realized by syndrome-free protocols using at most a single ancilla qubit. Furthermore, we extend this framework to dynamical error correction and show that Floquet codes can protect time-dependent metrological signals in reaching the Heisenberg limit.

07.
arXiv (CS.CV) 2026-06-15

Planning with the Views via Scene Self-Exploration

Can VLMs predict how each camera move changes the view, and plan many such moves ahead? We call this capability view planning, requiring (1)understanding how a single action transforms the view, and (2)composing many such transformations across multi-turn plans to identify a target view. We probe both abilities in our proposed ViewSuite, a 3D point-cloud environment on real ScanNet scenes. Across 13 frontier VLMs, a critical planning gap emerges: they possess basic view-action knowledge but fail to compose it across multi-turn plans, with the gap widening as viewpoint distance grows. To close this gap, we propose an iterative framework that alternates self-exploration with view graph distillation. The key insight is that all exploration trajectories, regardless of their outcome, collectively form a view graph that compactly captures how viewpoints connect across a scene. Distilling this graph into diverse supervised tasks reshapes the policy distribution and overcomes the sparse rewards that stall pure RL. This improves Qwen2.5-VL-7B from 2.5% to 47.8% on interactive view planning, surpassing GPT-5.4 Pro (18.5%) and Gemini 3.1 Pro (21.4%). Self-exploration emerges as a promising path toward VLMs that can actively reason and plan in 3D space. Code and Data are at https://viewsuite.github.io.

08.
arXiv (CS.CV) 2026-06-24

EERLoss: A Novel Loss Function for Training Deep Biometric Models. A Case Study in Keystroke Dynamics

Deep learning approaches to biometric verification are commonly trained by optimizing indirect objectives, creating a misalignment between the optimization process and the primary evaluation metric, typically the Equal Error Rate (EER). This paper introduces EERLoss: a subdifferentiable, arbitrarily accurate approximation to EER for training deep biometric models. Furthermore, this framework has the potential to be adapted to optimize any specific operating point on the DET curve, enhancing its generalizability. To validate this approach, EERLoss is evaluated on a particularly demanding behavioral biometric modality: keystroke dynamics verification. This task is characterized by its high intra-class and low inter-class variability. Experiments are conducted on the large-scale KVC-onGoing benchmark, incorporating data from over 185,000 subjects across different scenarios. A comprehensive ablation study initially demonstrates the superiority of EERLoss in comparison to existing state-of-the-art loss functions. It also converges substantially faster compared to other losses, reducing the overall training cost. Additionally, a comparison is made between the proposed loss and the KVC-winning architecture by re-training it with EERLoss, demonstrating that the proposed approach significantly outperforms the original SoTA, achieving a relative EER reduction of up to approx. 30\%. This improvement on a challenging, large-scale benchmark validates the effectiveness of EERLoss as a task-aligned training objective specifically suited for high-variance biometric traits.

09.
arXiv (quant-ph) 2026-06-15

Modeling light-matter coupled systems with neural quantum states

arXiv:2606.14352v1 Announce Type: cross Abstract: Recent advances in cold atom manipulation enable the study of many-body systems where short-range interactions between neighboring atoms coexist with long-range interactions mediated by photons. Such a combination of interactions makes a theoretical approach challenging beyond mean-field methods. In this work, we develop a neural quantum state based approach to study these systems numerically. We introduce a neural-network architecture capable of handling hybrid Hilbert spaces with large local bosonic dimensions in strongly interacting spin-photon systems. We benchmark this approach on a model of a two-dimensional lattice of Rydberg atoms coupled to a photon mode. The superradiant ground states found in the large spin-photon coupling regime allow us to demonstrate the efficiency of the method in the presence of high photon occupation. Furthermore, the ability to capture spin-spin and spin-photon correlations leads us to observe quantitative deviations in the ground state phase boundaries with respect to mean-field theory. The method extends to other systems with a similar hybrid Hilbert space structure, such as spin-phonon systems, and provides a scalable framework for investigating their ground state properties.

10.
arXiv (CS.CV) 2026-06-11

MentisOculi: Revealing the Limits of Reasoning with Mental Imagery

Frontier models are transitioning from multimodal large language models (MLLMs) that merely ingest visual information to unified multimodal models (UMMs) capable of native interleaved generation. This shift has sparked interest in using intermediate visualizations as a reasoning aid, akin to human mental imagery. Central to this idea is the ability to form, maintain, and manipulate visual representations in a goal-oriented manner. To evaluate and probe this capability, we develop MentisOculi, a procedural, stratified suite of multi-step reasoning problems amenable to visual solution, tuned to challenge frontier models. Evaluating visual strategies ranging from latent tokens to explicit generated imagery, we find they generally fail to improve performance. Analysis of UMMs specifically exposes a critical limitation: While they possess the textual reasoning capacity to solve a task and can sometimes generate correct visuals, they suffer from compounding generation errors and fail to leverage even ground-truth visualizations. Our findings suggest that despite their inherent appeal, visual thoughts do not yet benefit model reasoning. MentisOculi establishes the necessary foundation to analyze and close this gap across diverse model families.

11.
arXiv (CS.CL) 2026-06-11

Dummy Backdoor as a Defense: Removing Unknown Backdoors via Shared Internal Mechanisms for Generative LLMs

Backdoor attacks pose a serious threat to the safety and reliability of Large Language Models (LLMs), as they cause models to behave normally on clean inputs while producing attacker-specified responses when hidden triggers are present. Removing such unknown backdoors is particularly challenging when the defender does not know the backdoor attack types or the internal mechanisms formed through backdoor training. In this work, we propose a simple but effective backdoor removal method based on shared internal mechanisms across different backdoors. First, we show that different backdoors with the same task (attack objective) induce similar trigger-activated changes in the internal activations. Motivated by this observation, our method intentionally embeds a backdoor with a known trigger (dummy backdoor) and then removes it through further fine-tuning on dummy-triggered inputs paired with clean responses. Since the dummy backdoor and the unknown backdoor can rely on shared internal mechanisms, removing the dummy backdoor also reduces the effect of the unknown backdoor. We evaluate our method on three backdoor attack types across multiple model families. Experimental results show that our method substantially reduces the attack success rate of the unknown backdoor while preserving model utility, outperforming representative existing defense methods in both backdoor removal effectiveness and utility preservation. These findings suggest that a defender-controllable backdoor can serve as a helpful proxy for mitigating unknown backdoors in generative LLMs.

12.
arXiv (CS.CL) 2026-06-11

Cross-modal Consistency Guidance for Robust Emotion Control in Auto-Regressive TTS Models

While Text-to-Speech (TTS) systems enable emotional control via natural-language instructions, expressiveness, naturalness, and speech quality degrade when the target emotion conflicts with the textual semantics. We propose a Cross-modal Consistency Guided Classifier-Free Guidance (CCG-CFG) method with dynamic scales based on the degree of inconsistency between the text emotion and the explicit speech emotion, replacing the dropout condition with the text emotion. We also distill the CCG-CFG guidance signal using a hard-sample mining strategy, improving the TTS model's emotional alignment capability. Evaluations on five emotional corpora and two TTS benchmarks show that our approaches applied to CosyVoice2 achieve up to a 12% absolute improvement in emotion-recognition accuracy and a 10% relative improvement in subjective scores, outperforming baselines including HierSpeech++, Qwen3-TTS, and original CosyVoice2, while preserving intelligibility, naturalness, and high speech quality.

13.
arXiv (CS.CL) 2026-06-24

Layer-wise Probing of wav2vec 2.0 and Whisper for Consonant Cluster Reduction in African American English

Self-supervised and supervised speech models are increasingly used to investigate which linguistic information their internal representations encode, and at what level of abstraction they encode it. One underexplored phenomenon is consonant cluster reduction (CCR) in African American English (AAE), a widespread phonological process and a source of automatic speech recognition (ASR) disparity. To examine how CCR is represented, we conduct speaker-independent layer-wise probing of wav2vec2-base and Whisper-small using two tasks: segmental reduction detection and segmental restoration of underlying cluster identity. Both models distinguish reduced and canonical forms with high accuracy. Crucially, reduced segments retain cues to their underlying stops, indicating that CCR is encoded as structured gradient phonological variation rather than simple segmental deletion. These results demonstrate structured phonological encoding of AAE CCR patterns in modern speech models.

14.
medRxiv (Medicine) 2026-06-23

Socioeconomic Determinants of Guideline-Concordant Therapy for Early-Stage Non-Small Cell Lung Cancer: A Population-Based Analysis from Appalachian and Non-Appalachian Ohio, 2004-2015

Purpose: To examine the relative contributions of insurance, county-level poverty, and other socioeconomic factors, as compared with Appalachian geography, to receipt of guideline-concordant therapy for early-stage non-small cell lung cancer (NSCLC) in Appalachian and non-Appalachian Ohio. Methods: Retrospective population-based cohort study using the Ohio Cancer Incidence Surveillance System. We identified adults diagnosed with early-stage NSCLC between 2004 and 2015 (N=26,756). The primary outcome was receipt of guideline-concordant local therapy (surgery or definitive radiation). Rural-urban classification used USDA Rural-Urban Continuum Codes. Multivariable logistic regression and Cox proportional hazards models assessed predictors of treatment and survival, with E-values, race-stratified models, and propensity score weighting as sensitivity analyses. Findings: Median age was 71 years; 50.3% were male, 83.8% non-Hispanic White, and 20.4% Appalachian. Overall, 83.6% received guideline-concordant local therapy (59.6% surgery, 24.0% radiation). In adjusted analysis, Medicaid (adjusted odds ratio [OR] 0.53, 95% confidence interval [CI] 0.44-0.63; adjusted risk ratio [RR] 0.94, 0.91-0.96), county-level poverty >20% (OR 0.77, 95% CI 0.68-0.87; RR 0.96, 0.95-0.98), and unmarried status were independently associated with lower therapy receipt, whereas Appalachian residence was associated with modestly higher receipt (OR 1.17, 95% CI 1.06-1.29; RR 1.02, 1.01-1.04). Therapy rates converged across regions over the study period (year x Appalachian interaction p20% (HR 1.13, 95% CI 1.07-1.20). Conclusions: Socioeconomic factors, particularly Medicaid insurance and county-level poverty, were the patient characteristics most strongly associated with lower receipt of guideline-concordant therapy, whereas Appalachian residence was not a barrier. Findings support targeted interventions addressing insurance-related and poverty-related barriers to lung cancer care in high-poverty communities regardless of geographic designation.

15.
arXiv (CS.LG) 2026-06-16

Beyond Accuracy: Measuring Bias Acknowledgment in Chain-of-Thought Reasoning for Responsible AI Evaluation

arXiv:2606.15127v1 Announce Type: new Abstract: Reasoning models are increasingly used in settings where the final answer is not the only object of review: educational tools may show students intermediate steps, decision-support systems may require human oversight, and audit workflows may inspect traces for misleading or biased input. In such settings, two responses can receive the same final-answer score while differing in whether the trace explicitly flags injected biasing content. Accuracy-only evaluation collapses these cases. We study this gap as a measurement blind spot for responsible evaluation and introduce a minimal trace-level diagnostic with two axes: susceptibility (whether the bias breaks a previously correct answer) and acknowledgment (whether the trace contains a rubric-defined surface reference to the injected content). Across thousands of biased GSM8K trials, GPT-4o and Claude Sonnet~4 have similar susceptibility rates ($1.3\%$ vs.\ $1.2\%$) but substantially different acknowledgment rates ($13.0\%$ vs.\ $75.0\%$) under the same rubric.

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

Information Lattice Learning as Probabilistic Graphical Model Structure Learning

arXiv:2606.19366v1 Announce Type: cross Abstract: Information lattice learning (ILL) learns interpretable rules of a signal by alternately projecting the signal onto a partition lattice that encodes a hierarchy of abstractions and lifting selected rules back to the signal domain. When the signal is a probability mass function, we show the probabilistic rules learned by ILL admit a natural probabilistic graphical model (PGM) interpretation and develop this interpretation in detail. A partition in ILL induces a deterministic quotient variable, and a rule is the marginal law of that quotient variable. A rule set is therefore a collection of marginal constraints over interpretable abstractions. General lifting is the feasible family of all joint distributions satisfying those constraints, while special lifting chooses a maximum-ignorance reconstruction, implemented in ILL by an L2 uniformity principle closely related to maximum entropy. Under a Shannon-entropy lifting, the same constraints yield a log-linear factor graph whose factors are indexed by learned abstractions. The information lattice itself, however, is not a Bayesian network: its edges encode refinement and coarsening of abstractions, not conditional dependence. Thus ILL is best viewed as structure learning for interpretable constraint-based factor graphs over quotient variables. This view clarifies how ILL relates to graphical models and maximum entropy models, while suggesting new directions for inference, identifiability, and hybrid symbolic-probabilistic learning.

17.
arXiv (math.PR) 2026-06-24

On the stability of rarefaction for stochastic viscous conservation law

arXiv:2606.24167v1 Announce Type: new Abstract: We study the asymptotic stability of rarefaction waves for one-dimensional stochastic viscous conservation laws driven by nonlinear conservative noise. In a critical scaling where stochastic energy injection and viscous dissipation compete at comparable magnitudes, standard kinetic and viscosity frameworks encounter obstructions due to regularity gaps and non-integrable profiles. To address this, we introduce a stochastic area inequality controlling accumulated energy fluctuations, a local $L^1$ contraction principle via stochastic Kru\v{z}kov doubling-of-variables that yields pathwise uniqueness without global integrability, and a modified Galerkin scheme preserving the $H^2$ energy structure. Assuming local $H^2$ regularity, we prove almost sure algebraic convergence to the rarefaction wave. For sufficiently small initial perturbations, we establish global well-posedness and sharp decay estimates in expectation. The smallness condition identifies a regime where viscous dissipation dominates stochastic injection, reflecting a structural stability threshold rather than a technical artifact. Our approach extends the analytical framework for conservative SPDEs with rough fluxes.

18.
arXiv (CS.CL) 2026-06-19

The Register Gap: A Meaning Intelligence Framework for Nigerian Public Discourse

We introduce the Meaning Intelligence Framework (MIF), a nine-dimension annotation and evaluation schema for Nigerian public discourse that separates surface sentiment from true communicative intent. Existing benchmarks for Nigerian languages, including NaijaSenti and AfriSenti, treat sentiment classification as a three-way polarity task (positive, negative, neutral). We argue that the dominant failure mode of AI systems on Nigerian discourse is not translation failure but context failure: the same utterance carries opposite pragmatic force depending on speaker, audience, and situation. The MIF operationalises this insight across nine scored dimensions: register, surface sentiment, true intent, irony, coded subtext, risk tier, annotator confidence, speaker emotion, and recommended communications action. We construct a 30-item calibration dataset spanning Standard English, Nigerian English, Nigerian Pidgin, and code-mixed registers, and evaluate a frontier language model (Gemini 2.5 Flash) under zero-shot and schema-informed prompting conditions. The headline finding is the Register Gap: zero-shot register classification accuracy is 33.3%, rising to 73.3% (+40 points) when the model receives the MIF schema in-context. The composite Meaning Intelligence Score increases by 5.4 points (73.2 to 78.6) under schema-informed prompting, with the largest practical gains in register identification, coded-subtext detection (+10 points), and strategic action recommendation (+10.3 points). We release the framework specification, annotation guidelines, and the 30-item public calibration set to support reproducibility, while retaining a private holdout corpus for contamination-protected evaluation.

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

YTClickbait21K: Human-Annotated Multimodal Dataset for YouTube Clickbait Detection Across Diverse Channels and Content Categories

Clickbait content on video-sharing platforms poses a significant challenge to information reliability, yet progress in automated detection has been constrained by the lack of large-scale, high-quality multimodal datasets. We present YTClickbait21K, a human-annotated YouTube clickbait dataset comprising 21,238 videos collected from 40 channels across 29 countries, covering diverse content categories such as news, entertainment, education, and gaming. Each sample includes structured metadata (title, description, engagement statistics) along with associated thumbnail images, enabling comprehensive multimodal analysis. To ensure annotation quality, every video was independently labeled by three annotators using a standardized decision framework that incorporates textual, visual, and cross-modal consistency cues, with final labels determined through majority voting. The dataset exhibits substantial inter-annotator agreement (k=0.65), confirming reliable labeling despite the inherent subjectivity of clickbait detection. By combining scale, annotation rigor, and multimodal richness, this dataset provides a robust benchmark for developing and evaluating machine learning models, facilitating research in cross-modal semantic understanding, and advancing automated content moderation systems.

20.
arXiv (CS.AI) 2026-06-24

G$^3$VLA: Geometric inductive bias for Vision-Language-Action Models

arXiv:2606.24472v1 Announce Type: cross Abstract: Vision-language-action (VLA) models have made rapid progress in generalist robot manipulation by harnessing semantic knowledge from pretrained vision-language backbones, but their visual tokens remain grounded in 2D image coordinates rather than the calibrated geometry of the robot's cameras – a mismatch especially pronounced in multi-camera setups, where views are coupled by known intrinsics and extrinsics yet processed as independent images. We propose G$^3$VLA, a camera-aware geometric module that injects calibrated structure into the visual-token stream of a pretrained VLA without altering its action space or imitation objective, combining intrinsic-conditioned ray embeddings, projective positional encoding (PRoPE), and bidirectional cross-view fusion. Geometric supervision is provided either from ground-truth point maps when available, or from confidence-gated $\pi^3$X teacher predictions, requiring no depth sensors or manual annotations. Instantiated on $\pi_0$, G$^3$VLA yields consistent gains across the LIBERO suites, RoboCasa24, RoboTwin2.0, and real-robot settings, with the largest improvements on spatially and object-sensitive tasks. We further validate on $\pi_{0.5}$ and GR00T 1.5, with results suggesting that geometric transfer is most effective when geometry-aware tokens have direct access to the action generation pathway. Our project page is at https://sites.google.com/view/g3vla

21.
arXiv (CS.CL) 2026-06-18

Redact or Keep? A Fully Local AI Cascade for Educational Dialogue De-Identification

Educational dialogue is a valuable but sensitive resource for research: the same transcripts that capture authentic learning often capture personally identifiable information (PII) entangled with curricular content, where "Riemann" may refer to a real student or to a mathematical concept. Existing approaches force a tradeoff between governance and accuracy. Commercial Large Language Models (LLMs) can handle this ambiguity but require sending student data to third parties, while local named entity recognition (NER) systems preserve governance but over-redact curricular terms. We propose a fully local cascade framework that reframes de-identification from open-ended entity recognition to constrained privacy triage. A recall-first union proposer combines two lightweight encoders with deterministic rules to over-generate candidate spans; a context-aware reviewer then makes a binary Redact/Keep decision for each candidate using surrounding dialogue and speaker role. We evaluate three reviewer configurations against same-family LLM-only baselines and a commercial API on math tutoring transcripts from two large platforms. The strongest local configuration reaches 0.958 macro F1, compared with 0.767 for a same-family LLM-only baseline and 0.706 for the commercial API, while running entirely on a single laptop. On a targeted challenge set of curricular-personal name ambiguity, the same configuration degrades by only 0.03 F1 versus 0.19 to 0.25 for smaller reviewers. These results suggest that for educational de-identification, problem formulation matters more than model scale.

22.
arXiv (CS.CV) 2026-06-16

S23DR 2026: End-to-End 3D Wireframe Prediction via DETR-Style Set Prediction with Contrastive Denoising

Authors:

We present WireframeDETR, our submission to the Structured Semantic 3D Reconstruction (S23DR) 2026 Challenge, which requires predicting a 3D building wireframe from multi-view COLMAP point clouds. Our method applies DETR-style set prediction directly to 3D point clouds, producing wireframes as sets of edge coordinate pairs without any intermediate vertex detection stage. We introduce three technical contributions: (1) contrastive denoising training that stabilises noisy Hungarian matching in early epochs; (2) a multi-scale encoder that aggregates the last encoder layer outputs via learned scalar weights; and (3) progressive auxiliary loss weighting that concentrates gradient signal on the decoder layers that most benefit from it. Our model achieves a public test HSS of 0.575 (F1~=~0.664, IoU~=~0.516) and a best validation HSS of 0.534 on the cleaned val split.

23.
bioRxiv (Bioinfo) 2026-06-11

Combinatorial docking and molecular generation to navigate over 100-billion molecules for prospective ligand discovery

Commercially available make-on-demand libraries now exceed 100 billion compounds, requiring over 50 years to screen on 2,000 CPU cores using conventional docking. We present two complementary approaches to address this challenge. CombiDOCK, a combinatorial docking framework, enables exhaustive screening at the 100-billion scale within 40 days. MINT-Dock, a generative framework, accelerates navigation of this space by integrating CombiDOCK with Monte Carlo Tree Search. Benchmarked on 46 diverse targets, CombiDOCK matched full-molecule docking accuracy, and MINT-Dock achieved a 4,800-fold enrichment over random selection. Compared with prior billion-scale brute-force campaigns against {sigma}2, VMAT2, and VAChT, prospective CombiDOCK screens of the 100-billion-molecule library yielded higher hit rates and more potent ligands, while MINT-Dock achieved comparable outcomes across single- and multi-target objectives with >20-fold computational cost reductions. Docking-predicted poses of the best VAChT-binding compounds were confirmed by cryo-EM structures. These methods provide exhaustive and generative paths for navigating the trillion-molecule frontier of drug discovery.

24.
arXiv (CS.CV) 2026-06-17

DiffAttn: Diffusion-Based Drivers' Visual Attention Prediction with LLM-Enhanced Semantic Reasoning

Drivers' visual attention provides critical cues for anticipating latent hazards and directly shapes decision-making and control maneuvers, where its absence can compromise traffic safety. To emulate drivers' perception patterns and advance visual attention prediction for intelligent vehicles, we propose DiffAttn, a diffusion-based framework that formulates this task as a conditional diffusion-denoising process, enabling more accurate modeling of drivers' attention. To capture both local and global scene features, we adopt Swin Transformer as encoder and design a decoder that combines a Feature Fusion Pyramid for cross-layer interaction with dense, multi-scale conditional diffusion to jointly enhance denoising learning and model fine-grained local and global scene contexts. Additionally, a large language model (LLM) layer is incorporated to enhance top-down semantic reasoning and improve sensitivity to safety-critical cues. Extensive experiments on four public datasets demonstrate that DiffAttn achieves state-of-the-art (SoTA) performance, surpassing most video-based, top-down-feature-driven, and LLM-enhanced baselines. Our framework further supports interpretable driver-centric scene understanding and has the potential to improve in-cabin human-machine interaction, risk perception, and drivers' state measurement in intelligent vehicles.

25.
arXiv (CS.CL) 2026-06-11

Mapping Scientific Literature with Large Language Models and Topic Modeling

Scientific literature is increasingly fragmented by disciplinary boundaries, specialized terminology, and potentially sparse keyword systems, making it difficult to capture the evolving structure of modern science. This study introduces a large language model (LLM)-driven framework for mapping scientific literature from a topic modeling perspective. The approach is demonstrated on a 20-year corpus of more than 1,500 engineering-related articles published in the Proceedings of the National Academy of Sciences (PNAS). A two-stage classification pipeline first assigns a primary thematic category to each article based on its abstract, followed by full-text analysis to identify secondary classifications that reveal latent cross-topic connections within the corpus. Unlike conventional topic models, the LLM-based framework produces semantically interpretable topics while maintaining strong quantitative performance. Comparative evaluation against established topic modeling methods shows higher topic diversity and lower overlap with competitive coherence metrics. Manual validation on a randomly sampled subset of abstracts yields an accuracy of 75.9%. Additional traditional natural language processing analyses confirm that the generated topics correspond to meaningful linguistic patterns in the corpus. A bipartite network linking primary and secondary classifications further reveals implicit thematic relationships that are not readily observable through abstracts or keyword systems alone. The findings indicate that the framework independently recovers much of the journal's editorial dual-classification structure without prior knowledge of its schema. Overall, the proposed approach offers a powerful tool for mapping science and identifying emerging cross-topic connections in research.