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01.
arXiv (CS.AI) 2026-06-17

LLM-as-Judge in Education: A Curriculum-Grounded Marking Pipeline

arXiv:2606.17507v1 Announce Type: new Abstract: Generative AI and large language models (LLMs) are increasingly applied to question generation and automated assessment. However, deploying LLMs in preparation for high-stakes exams requires more than prompt engineering; it demands software pipelines that systematically ground model outputs in authorised curriculum artefacts and marking guidelines issued by education authorities. This paper presents a curriculum-grounded, configurable LLM-as-Judge pipeline for question-level marking, co-developed with an industrial partner, to support exam preparation for university admission. The pipeline identifies the relevant topics, subtopics, and cognitive demand of a question, and assembles verifiable and authorised context to support LLM judgement. Curriculum intent is operationalised through concrete syllabus artefacts, including prescribed verbs and outcomes, performance band descriptors, glossary definitions, and marking-guideline principles. A staged LLM workflow is employed to first generate question-specific rubrics, capturing structured expectations of performance, and then derive and evaluate marking criteria used to allocate marks to student responses. This design improves consistency, transparency, and alignment with official marking practices. Preliminary evaluation shows that the proposed LLM-as-Judge pipeline delivers marking outcomes comparable to human tutors, while yielding justifications that are more traceable to authorised curriculum artefacts and marking standards. The pipeline has also been integrated into an online study platform, where early deployment data provide initial insights into operational usage and manual overrides.

02.
arXiv (CS.CV) 2026-06-18

BindEdit: Taming Attention Leakage for Precise Multi-Object Image Editing

Real image editing enables precise manipulation of visual content, yet existing methods often fail in complex multi-object scenarios, causing semantic blending, object duplication, or incomplete edits. We attribute these failures to attention leakage, where signals across spatial regions and text tokens become entangled during the denoising process. Specifically, we identify two distinct forms of leakage: Edit-Token Leakage, where ambiguous token-region alignment leads to object blending, and Source Dominance Leakage, where tokens of unchanged source objects overwhelm the attention intended for target entities. To resolve these leakages, we propose BindEdit, which enforces attention-level constraints within a single diffusion trajectory. To suppress Edit-Token Leakage, BindEdit jointly regularizes cross- and self-attention so that each target token group is bound to its corresponding spatial region while maintaining instance-level separation. To suppress Source Dominance Leakage, a cross-attention re-balancing mechanism amplifies target token influence and attenuates residual source semantics within editable regions. Moreover, a region fidelity term ensures that each target concept is expressed coherently across the entire editing mask. Additionally, we propose a comprehensive multi-object benchmark encompassing diverse object counts and categories. Extensive experiments demonstrate that BindEdit consistently outperforms existing methods within a single diffusion trajectory, maintaining robust performance across both single- and multi-object editing scenarios.

03.
arXiv (CS.AI) 2026-06-17

Online LLM Selection via Constrained Bandits with Time-Varying Demand

arXiv:2606.17489v1 Announce Type: cross Abstract: Large Language Models (LLMs) are increasingly deployed in edge-cloud inference systems to handle diverse user tasks with heterogeneous accuracy, latency, and cost profiles. Selecting the appropriate LLM for each incoming task is critical for ensuring service quality and efficient resource utilization. However, model heterogeneity, stochastic and unknown performance characteristics, and time-varying task demands make static selection strategies inadequate. Real-world deployments often impose hard resource budgets such as monetary expenditure limits, along with soft service-level requirements such as latency guarantees. These constraints introduce additional challenges for online decision-making. We formulate this problem as a constrained stochastic bandit learning task, where the learner sequentially selects models under both packing-type (hard) and covering-type (soft) constraints, while adapting to time-varying task demand. The learner operates without access to the underlying reward, cost, or latency distributions and must rely on partial feedback. We develop a novel online learning algorithm that leverages confidence-bound estimates and demand predictions to balance reward maximization with long-term constraint satisfaction. We provide theoretical guarantees showing sublinear regret and sublinear covering constraint violations compared to an offline benchmark with full information. Experimental results on synthetic workloads demonstrate the effectiveness and robustness of our approach in dynamic, resource-constrained environments.

04.
medRxiv (Medicine) 2026-06-12

Estimating the effectiveness of syndromic screening at airports for Bundibugyo ebolavirus disease

We used a stochastic simulation model to estimate the effectiveness of combined exit and entry airport screening for Bundibugyo ebolavirus disease (BVD), using natural-history parameters from a Bayesian re-analysis of the 2012 Isiro outbreak. For a 12-hour international flight from DRC or Uganda at 86% screening sensitivity, we estimate 65% of infected travellers would arrive undetected (95% CrI: 38 - 76%). The main driver of this outcome is the relative duration of the the incubation period (approximately 7.7 days) and the onset-to-severe-disease interval (approximately 4 days): most infected travellers board before symptom onset and are undetectable by any syndromic screen, whilst those who are symptomatic progress rapidly to illness severe enough to preclude travel. This is compounded during active epidemic growth, when recently exposed (and therefore pre-symptomatic) cases are overrepresented among travellers. Syndromic airport screening offers limited protection against BVD spread via air travel, and should be complemented by outbreak control at source and strengthened clinical surveillance in receiving countries with high travel connectivity to affected areas.

05.
arXiv (CS.CL) 2026-06-25

Why Do Accumulated Transformations Extrapolate?

PaTH Attention showed that replacing RoPE's position-indexed rotations with accumulated data-dependent Householder reflections yields strong length extrapolation, though performance degrades at extreme context lengths. We ask whether this depends on Householder-specific structure or reflects a general property of accumulated transformations along source-to-query paths. We study a simpler variant keeping RoPE's block-diagonal SO(2) rotations but replacing position-indexed angles with accumulated token-dependent ones. It shows the same pattern: improved extrapolation then degradation at long contexts. We prove the result extends to accumulated orthogonal transformations satisfying certain regularity conditions: their products become incoherent after finitely many steps, suppressing attention to distant tokens. Accumulated rotations of queries and keys create a finite mixing window independent of context length; per-token suppression learned in training transfers unchanged to any evaluation length, and high-dimensional concentration produces a score gap suppressing far tokens while near-route transport preserves the target signal. Conversely, a lower bound shows accumulated rotations must eventually degrade: as the far set grows, no rotations preserve the near signal without explicit far-mass control. For SO(2) rotations, rotating values too makes residual far contributions combine incoherently, extending the range. Controlled experiments support these predictions: random accumulated rotations substantially improve extrapolation over RoPE, learned token-dependent rotations maintain near-training-length perplexity far beyond the training context, and rotating values helps over queries and keys alone. Rotation-only models still degrade at extreme lengths, while ALiBi stays length-stable, consistent with the need for far-mass control.

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

EXPO-SQL: Execution-based Clause-level Policy Optimization for Text-to-SQL

Text-to-SQL enables users to query databases using natural language by generating executable SQL queries. Recent methods have increasingly adopted Large Language Models based reinforcement learning (RL) to leverage execution feedback for training. However, existing RL methods assign uniform query-level rewards to all clauses in a SQL query, treating correct and incorrect clauses equally. This coarse-grained reward design leads to insufficient learning signals for correct SQL generation. To address this issue, we propose EXPO-SQL (EXecution-based clause-level Policy Optimization for Text-to-SQL) which provides fine-grained supervision through clause-level rewards. To assign clause-level rewards, our method identifies erroneous clauses by analyzing execution results, including error messages and clause-wise incremental execution. Experiments on widely-used Text-to-SQL benchmarks demonstrate that EXPO-SQL significantly outperforms existing supervised fine-tuning, prompting, and RL-based methods through fine-grained clause-level learning. Our code is available at https://github. com/jhn25/EXPO-SQL.

07.
arXiv (CS.LG) 2026-06-16

Sobolev Approximation by Fixed-Size Neural Networks with Arbitrary Accuracy

arXiv:2606.16975v1 Announce Type: cross Abstract: In this work, we investigate new activation functions for achieving arbitrary-accuracy Sobolev approximation by fixed-size neural networks. We first show that any function in $W^{2,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy, measured in the $W^{1,\infty}$-norm, by a fixed-size neural network using the Elementary Universal Activation Function ($\mathrm{EUAF}$). To extend this result to $W^{s,\infty}((a,b)^d)$ for $s\in\mathbb{N}$, we introduce a smooth activation $\mathrm{DUAF}_{\infty}$ from the family of Differentiable Universal Activation Functions ($\mathrm{DUAF}_n$). We prove that any function in $W^{s,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy in the $W^{s-1,\infty}$-norm by a fixed-size $\mathrm{DUAF}_{\infty}$-activated network. We further construct sigmoidal variants $\widetilde{\mathrm{DUAF}}_n$ and show that, for every $1\leq s\leq n$, fixed-size $\widetilde{\mathrm{DUAF}}_n$-activated networks still approximate any $f\in W^{s,\infty}((a,b)^d)$ with arbitrary accuracy in the $W^{s-1,\infty}$-norm. In all these results, the width and depth bounds are computed explicitly, and the proposed activations are elementary.

08.
arXiv (CS.CL) 2026-06-11

3-Key-Input: Exploring the Theoretical Minimum Keys for Text Entry

作者:

How far can we reduce the number of physical keys if we endow an ambiguous keyboard with modern language models? Fewer keys increase hardware design freedom in constrained settings such as assistive devices and mobile form factors. This paper systematically evaluates text entry systems using 2-5 physical keys combined with language-model-based disambiguation. On a 300-sentence English corpus (100 sentences each for Business / Conversational / Technical), we compare key counts (2-5), letter-to-key mappings (layout-based / frequency-based / intentionally worst-case), and decoders (Trie-only, GPT-2 beam search, GPT-4o selection). We find that 3 keys + GPT-4o achieves character error rate (CER) 9.46% and word error rate (WER) 12.20%, reducing CER by 59% relative to 2 keys (CER 23.3%). At 3 keys, the key-stream entropy is 1.54 bits/char; while increasing to 5 keys improves accuracy (CER 5.4%), the marginal gains diminish. Mapping choice has a small impact under standard designs ({\Delta}CER < 0.5 pp), and even an intentionally worst mapping degrades CER by only +0.5 pp, whereas Technical sentences yield roughly twice the error rate of Business. These results suggest that, in our evaluated offline setting under a strong LM prior, 3 keys are a practical minimum for general English.

09.
medRxiv (Medicine) 2026-06-10

Development of a Novel Blood-Based Assay for Brain-Derived Tau and Its Validation in Traumatic Brain Injury

Brain-derived tau (BD-tau) is an emerging blood-based biomarker for neurodegeneration, yet there are currently limited well validated BD-tau assays available for research and clinical use. To enhance access to this vital biomarker for neurological disorders including traumatic brain injury (TBI), we developed a novel blood-based immunoassay for BD-tau on the ultra-sensitive Quanterix HD-X platform using Single Molecule Array technology. Analytical validation assessed dilution linearity, specificity, precision, detection limits, and spike recovery, each recording robust metrics in agreement with international expert recommendations. The assay demonstrated robust validation metrics, achieving between-run stability of 95% when analyzing aliquots from six independent plasma and serum samples across five analytical runs. It also showed strong dilution linearity when diluted four-fold and achieved over 90% recovery when spiked with cerebrospinal fluid. Next, we evaluated the clinical utility of the assay in cohorts of individuals with traumatic brain injury (TBI), where strong performances were recorded whether using the 2-step or 3-step assay formats ({rho}= 0.94; p < 0.0001). Furthermore, plasma BD-tau distinguished samples from TBI patients based on time from injury and severity (AUC=0.93). Plasma BD-tau differentiated between favorable and unfavorable functional outcomes in the acute-severe group. Our findings underscore the significant potential of the BD-tau assay as a biomarker for TBI in the severe phase.

10.
arXiv (quant-ph) 2026-06-25

Arbitrarily Loss-Tolerant Quantum Position Verification in a Single Execution

arXiv:2606.25037v1 Announce Type: new Abstract: Quantum position verification (QPV) seeks to certify the spatial location of an untrusted prover, but is challenged fundamentally by entanglement-based attacks and experimentally by photon loss. Both issues were addressed separately in different works and were simultaneously resolved for sequentially repeated protocols in Phys.\ Rev.\ Lett.\ 135,~260801 via a commitment-based modification that renders security independent of transmission losses. However, single-execution protocols are preferable in practice, and the original techniques do not extend to the parallel setting due to their reliance on sequential structure. We overcome this by utilizing different techniques based on no-signalling correlations, lifting the commitment modification to the parallel regime while preserving the security guarantees of the underlying QPV protocol. Applying this to a BB84-based QPV protocol suitable for near-term implementation and secure against bounded-entanglement adversaries, we prove that fixing a threshold~$k$ on the number of successfully committed qubits yields an adversarial acceptance probability that decays exponentially in~$k$. The resulting protocol maintains robustness to noise levels of up to~$3.7\%$ and remains secure under arbitrarily slow quantum communication, as does the original protocol. This yields the first fully loss-tolerant single-shot QPV protocol secure against entangled attackers, making QPV feasible over arbitrary distances. Finally, we refine the sequential analysis and obtain improved quantitative parameters for experimental implementations.

11.
arXiv (quant-ph) 2026-06-12

Proper and improper mixed states serve as different prior beliefs for quantum state retrodiction

arXiv:2502.10030v2 Announce Type: replace Abstract: A mixed quantum state can be taken as capturing an unspecified form of ignorance; or as describing the lack of knowledge about the true pure state of the system ("proper mixture"); or as arising from entanglement with another system that has been disregarded ("improper mixture"). These different views yield identical density matrices and therefore identical predictions for future measurements. But when used as prior beliefs for inferring the past state from later observations ("retrodiction"), they lead to different updated beliefs. This is a purely quantum feature of Bayesian agency. Based on this observation, we establish a framework for retrodicting on any quantum belief and we prove a necessary and sufficient condition for the equivalence of beliefs. We also illustrate how these differences have operational consequences in quantum state recovery.

12.
arXiv (CS.AI) 2026-06-19

Bring My Cup! Personalizing Vision-Language-Action Models with Visual Attentive Prompting

arXiv:2512.20014v3 Announce Type: replace-cross Abstract: While Vision-Language-Action (VLA) models generalize well to generic instructions, they struggle with personalized commands such as "bring my cup," where the robot must act on one specific instance among visually similar objects. We study this setting of manipulating personal objects, in which a VLA must identify and control a user-specific object unseen during training using only a few reference images. To address this challenge, we propose Visual Attentive Prompting (VAP), a simple-yet-effective training-free perceptual adapter that equips frozen VLAs with top-down selective attention. VAP treats the reference images as a non-parametric visual memory, grounds the personal object in the scene through open-vocabulary detection and embedding-based matching, and then injects this grounding as a visual prompt by highlighting the object and rewriting the instruction. We construct two simulation benchmarks, Personalized-SIMPLER and Personalized-VLABench, and a real-world tabletop benchmark to evaluate personalized manipulation across multiple robots and tasks. Experiments show that VAP consistently outperforms generic policies and token-learning baselines in both success rate and correct-object manipulation, helping to bridge the gap between semantic understanding and instance-level control.

13.
arXiv (CS.CL) 2026-06-17

OPD-Evolver: Cultivating Holistic Agent Evolver via On-Policy Distillation

Memory has become a standard substrate for self-evolving agents, yet retaining experience is not the same as learning how to evolve through it. Existing memory agents can store trajectories, retrieve reflections, or accumulate skills, but often lack the holistic competence to select useful experience, act on it, write reusable knowledge, and maintain a growing repository. We introduce OPD-Evolver, a slow-fast co-evolution framework that cultivates such an agent evolver through on-policy self-distillation. In the fast loop, OPD-Evolver interacts with a four-level memory hierarchy to read, use, write, and maintain experience for rapid test-time evolution. In the slow loop, outcome-calibrated memory attribution and privileged hindsight distill these four abilities into the deployable policy. Across multi-domain benchmarks, OPD-Evolver surpasses memory systems such as ReasoningBank by up to 11.5%, and training-based methods such as Skill0 by ~5.8%. Further analysis shows that OPD-Evolver internalizes high-value experience and memory management, enabling OPD-Evolver-9B to challenge giant counterparts such as Qwen3.5-397B-A17B and Step-3.5-Flash, pointing beyond memory-augmented agents toward genuinely qualified agent evolvers.

14.
arXiv (CS.CL) 2026-06-11

FlowBank: Query-Adaptive Agentic Workflows Optimization through Precompute-and-Reuse

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.

15.
arXiv (CS.CL) 2026-06-15

Fodor and Pylyshyn's Systematicity Challenge Still Stands

The recent successes of neural networks producing human-like language have caused significant stir in cognitive science, with many researchers arguing that classical puzzles about human cognition and challenges to artificial intelligence are being solved by neural networks. A notable case is the argument from systematicity due to Jerry Fodor and Zenon Pylyshyn, argues that humans display systematic biconditional dependencies. For example, someone can understand the sentence "John saw Mary" just in case that they understand the sentence "Mary saw John." Symbolic systems explain this systematicity of language and thought, while neural networks offer no immediate explanation. Several recent articles argue that this challenge has now been met by neural networks. In particular, Brenden Lake and Marco Baroni argue that their meta-learning for compositionality protocol matches and perhaps explains human systematicity. We demonstrate that these conclusions are premature. Among other results, we found that their model struggles to learn rules that are even slightly out of distribution compared to their training data. Furthermore, the model behaves unsystematically even on many within-distribution problems. We conclude that Fodor and Pylyshyn's challenge to neural networks remains unmet.

16.
arXiv (CS.CL) 2026-06-16

Evaluating and Preserving Lexical Stress in English-to-Chinese Speech-to-Speech Translation

Speech-to-speech translation (S2ST) systems have achieved impressive progress in semantic accuracy and speech naturalness. However, the cross-lingual transfer of lexical stress, a vital cue for emphasis and speaker intent, remains heavily underexplored, compounded by a lack of reliable automatic evaluation metrics for tonal languages like Chinese. We investigate English-to-Chinese S2ST stress transfer by constructing a stress-annotated Chinese dataset and an XLS-R-based Mandarin stress detector. Integrating this with the English EmphAssess system, we propose a novel objective metric for cross-lingual stress evaluation. Furthermore, we fine-tune CosyVoice3 to build a stress-aware S2ST system. Experiments demonstrate that our proposed S2ST architecture significantly outperforms existing systems in stress translation capability while maintaining competitive translation quality. Furthermore, our evaluation metric exhibits a strong correlation with human subjective judgments.

17.
arXiv (CS.CL) 2026-06-18

As Easy as Rocket Science: Assessing the Ability of Large Language Models to Interpret Negation in Figurative Language

Figurative language and negation are two areas that challenge current language models, however, both are widely used throughout written and spoken language. Large language models (LLMs) are also widely used in everyday contexts where they cannot necessarily be tuned for a specific dataset. It is therefore essential to understand the ability of LLMs to correctly interpret text that includes both negation and figurative language. To investigate this, we develop a set of new annotations to an existing dataset of figurative language, and test a range of language models on the dataset. We find that the combination of negation and figurativeness can present a particular challenge, and that performance overall and across different negation types is particularly dependent on the prompt style used.

18.
arXiv (CS.AI) 2026-06-24

ReMMD: Realistic Multilingual Multi-Image Agentic Verification for Multimodal Misinformation Detection

arXiv:2606.24112v1 Announce Type: new Abstract: Multimodal misinformation detection is increasingly important because viral posts now combine long multilingual narratives, several images, mixed provenance, and subtle text–image framing errors. Existing benchmarks and methods remain poorly matched to this setting: they usually isolate short captions, single images, binary labels, or one manipulation source, while agentic verification remains costly under realistic evidence search. We present ReMMD, a realistic multilingual multi-image agentic verification framework for multimodal misinformation detection. ReMMD includes ReMMDBench, a real-world multimodal misinformation detection benchmark with 500 samples, 2,756 images, five monolingual languages, two cross-lingual settings, three text-length tiers, multi-image posts, five-way veracity labels, eight distortion labels, evidence provenance, and rationales. It also includes ReMMD-Agent, a persistent-memory verifier that decomposes posts into atomic points, builds a reusable evidence set, and predicts structured L1/L2/L3 outputs. Across proprietary systems, open LVLMs, MMD-Agent, and T2-Agent, ReMMD-Agent obtains the best five-way veracity performance, with 41.80% accuracy and 39.12% macro-F1 using GPT-5.2, while reducing cost by 17.5% relative to MMD-Agent and 79.9% relative to T2-Agent. The project is available at https://dang-ai.github.io/ReMMD.

19.
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.

20.
arXiv (CS.LG) 2026-06-25

Knowledge Cascade: Reverse Knowledge Distillation on Nonparametric Multivariate Functional Estimation

arXiv:2606.25927v1 Announce Type: cross Abstract: As machine learning models and datasets continue to grow, developing complex models has become increasingly computationally demanding. Knowledge distillation reduces deployment cost by compressing a large, well-trained teacher model into a compact student model, but it does not address settings where constructing the teacher itself is the bottleneck. Motivated by this challenge, we introduce Knowledge Cascade (KCas), a reverse knowledge distillation framework that uses information from a small, inexpensive student model to guide the development of a more complex teacher model. Although this direction is counterintuitive because the teacher typically has greater representational capacity, we show that student-to-teacher transfer can be principled when supported by statistical scaling relationships. We first develop KCas for nonparametric multivariate functional estimation in reproducing kernel Hilbert spaces via smoothing splines, where selecting multiple smoothing parameters is a major computational bottleneck. KCas transfers student-selected smoothing parameters to the full-sample regime through asymptotic scaling laws, substantially reducing computational cost for high-dimensional and large-scale datasets while retaining theoretical guarantees. Beyond smoothing splines, we illustrate the same principle through kernel density estimation and deep learning hyperparameter transfer. Simulations and real-data experiments show that KCas achieves substantial computational savings while maintaining strong statistical performance, and can sometimes outperform the corresponding full-sample procedure.

21.
arXiv (CS.AI) 2026-06-16

The Initial Exploration Problem in Knowledge Graph Exploration

arXiv:2602.21066v2 Announce Type: replace Abstract: Knowledge Graphs (KGs) enable the integration and representation of complex information across domains, but their semantic richness and structural complexity create substantial barriers for lay users without expertise in semantic web technologies. When encountering an unfamiliar KG, such users face a distinct orientation challenge: they do not know what questions are possible, how the knowledge is structured, or how to begin exploration. This paper identifies and theorises this phenomenon as the Initial Exploration Problem (IEP). Drawing on theories from information behaviour and human-computer interaction, including ASK, exploratory search, information foraging, and cognitive load theory, we develop a conceptual framing of the IEP characterised by three interdependent barriers: scope uncertainty, ontology opacity, and query incapacity. We argue that these barriers converge at the moment of first contact, distinguishing the IEP from related concepts that presuppose an existing starting point or information goal. Analysing KG exploration interfaces at the level of interaction primitives, we suggest that many systems rely on epistemic assumptions that do not hold at first contact. This reveals a structural gap in the design space: the absence of interaction primitives for scope revelation, mechanisms that communicate what a KG contains without requiring users to formulate queries or interpret ontological structures. In articulating the IEP, this paper provides a theoretical lens for evaluating KG interfaces and for designing entry-point scaffolding that supports initial exploration.

22.
arXiv (quant-ph) 2026-06-25

Many-Body Second Order Green's Function Theory for Ab Initio Molecular Quantum Electrodynamics

arXiv:2606.26076v1 Announce Type: new Abstract: In this work, we develop two many-body quantum electrodynamic methods to calculate the ground-state energies of strongly coupled light-matter molecular systems. Specifically, we extend the second-order many-body Green's function theory (GF2) for electronic systems to incorporate electron-boson couplings. We employ two ansätze to treat the bosonic part of the system, namely the coherent-state (CS) and Lang-Firsov (LF) transformed vacuum state. These are combined with the GF2 method to construct two new approaches, which we refer to as CS-GF2 and LF-GF2. We benchmark CS- and LF-GF2 by studying various molecular systems inside an optical cavity. We investigate $\mathrm{H}_2$ and $\mathrm{LiH}$ potential energy surfaces, keto-eneol tautomerization energy barrier, van-der Waals interactions between two $\mathrm{H_2}$ molecules and the torsional potential energy surface of the ethylene molecule, $\mathrm{C_2H_4}$. Both methods provide highly accurate energies, with only modest additional improvement observed in LF-GF2.

23.
bioRxiv (Bioinfo) 2026-06-17

DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design

Motivation: Proteolysis-targeting chimeras (PROTACs) enable targeted protein degradation through ternary complex formation with E3 ubiquitin ligase. However, the rational design of PROTACs remains highly challenging due to limited structure-activity relationship data and the vast conformational diversity of linkers. Existing computational approaches can be broadly divided into structure-based ternary modelling methods and fragment-based linker generation models. Although these approaches have advanced PROTAC design, they typically neglect key physicochemical constraints and linker-length control during the generation process, causing the generated PROTACs to lack balanced structural properties required for effective ternary complex formation with drug-like characteristics. Results: To address these limitations, we propose DesignMaster, a diffusion-based generative framework that explicitly incorporates linker length and physicochemical properties as controllable conditioning signals. DesignMaster employs an E(3)-equivariant graph Transformer with a gated multi-condition fusion module to inject linker length and physicochemical constraints throughout the diffusion process, enabling fine-grained and constraint-aware molecular generation. Experiments on PROTAC-DB 2.0 and 3.0 demonstrate that DesignMaster outperforms state-of-the-art baselines, with a 3.2% improvement in validity and a 34.4% improvement in recovery. The Case study shows DesignMaster achieves a 51.78% reduction in RMSD when predicting the linker of PROTAC BCPyr targeting 6W7O, highlighting its potential for practical structure-guided PROTAC design. Availability: The source code and datasets are available at https://github.com/ABILiLab/DesignMaster.

24.
arXiv (quant-ph) 2026-06-11

Tensor-Network Algorithm for Many-Body Trace Norms

arXiv:2606.11882v1 Announce Type: new Abstract: Trace norms are fundamental to quantum information theory, yet in many-body systems their evaluation remains a major computational bottleneck, as it generally requires diagonalizing exponentially large operators. Here, we overcome this bottleneck by introducing a controlled tensor-network algorithm for estimating the trace norm of matrix product operators without full diagonalization. The key idea is to combine Zolotarev's rational approximation to the sign function with a variational formulation solved using a density-matrix-renormalization-group-like algorithm. The resulting approximation is systematically improvable, with its accuracy controlled by the rational approximation parameters and the spectral weight near zero. Beyond the reach of exact diagonalization, we demonstrate controlled trace-norm calculations for entanglement negativity, quantum fidelity and quantum Fisher information, achieving substantially improved accuracy over polynomial-based Lanczos approaches. Our results establish trace-norm-based quantities as practical tensor-network observables, opening a route toward tensor-network studies of quantum information in mixed states.

25.
arXiv (CS.AI) 2026-06-15

Dense Coordinate-List Fine-Tuning Induces a Controllable Interference Surface in Vision-Language Models

arXiv:2606.14507v1 Announce Type: new Abstract: Fine-tuning vision-language models to emit dense coordinate lists improves visual grounding but also changes how models serialize, repeat, and terminate structured outputs. We study this behavior as a generation and control surface. In Gemma 4 12B, high-capacity q/k/v/o LoRA raises class-aware F1@0.3 from 0.007 to 0.448 while inducing repeated-tail pressure (duplicate rate 0.080, max repeat 23). A q/v rank sweep keeps max repeat at 21-22 across ranks 4-64, showing capacity persistence. The target signal is separable: object-level repeat-stop removes exact repeated records (duplicate rate 0.000, max repeat 1) while preserving F1 (0.494 to 0.490) and stricter F1@0.5 (0.381 to 0.385). Structure-axis probes localize the effect to bbox-coordinate object lists; dense non-bbox and spatial/count JSON remain repeat-clean, including under high-capacity adapters. Qwen3-VL-8B reproduces a clean controlled endpoint (F1@0.3 0.318, duplicate rate 0.000), and COCO 2017 reproduces acquisition plus duplicate pressure. Dense coordinate-list adaptation therefore creates a structure-bound, cross-family interference surface that can be measured and controlled.