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01.
arXiv (CS.CL) 2026-06-16

Free Energy Heuristics: Fast-And-Frugal Cognition as Active Inference Under Uncertain Precision

作者:
Alex Bogdan↗

Chain-of-thought (CoT) improves large language models' performance in math and symbolic reasoning. But on planning, contested ethics, and tasks where the model cannot check itself, more reasoning makes things worse. Both effects are documented; what has been missing is a principled account of which property decides the outcome. We argue it is meta-uncertainty: how unsure the model is about the reliability of its own evidence. When that uncertainty is high, extra reasoning stops adding signal and starts manufacturing false confidence. We prove that the policy minimizing expected free energy under uncertain precision stops integrating cues after a finite number of high-validity ones when the precision prior is heavy-tailed (Theorem 2.6.1), and under a Descending Dominance condition, is sample-wise identical to take-the-best (Theorem 2.7.4). Fast-and-frugal heuristics and active inference are, then, two descriptions of the same computation. The prediction is that on high-meta-uncertainty items, longer CoT should degrade accuracy. We score the regime per item (simulate-and-recover rho > 0.96), build FEH-79, a benchmark of Knightian frames with matched controls, and run a pre-registered study across seven models (five open-weight 3B-32B, two frontier), five CoT lengths, and 7,875 responses. The gate, fixed before any data, required a negative interaction with posterior probability above 0.95 and an accuracy drop of more than 6 points. It held. The high-regime drop is 17.3 points (95% CI [7.7, 25.5]); matched items with definite answers show no cost. The effect is regime-dependent: decisive in capable mid-to-large models, directional in the two frontier systems, absent-to-reversed in the weakest. The framework answers when CoT helps and unifies the Bayesian and fast-and-frugal traditions: less-is-more effects are evidence about the meta-uncertainty regime, not against Bayesian cognition.

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02.
arXiv (quant-ph) 2026-06-19

Random Projections for Multi-Copy Quantum Algorithms

作者:
Xiaoyu Liu↗Jordi Tura↗Johannes Kn\"orzer↗

arXiv:2606.20238v1 Announce Type: new Abstract: Estimating nonlinear properties of quantum states is a central task in quantum information science. Multivariate traces, $\mathrm{tr}(\rho_1 \cdots \rho_K)$, and nonlinear observables such as $\mathrm{tr}(\rho^K)$, for integer $K$, can be accessed through collective measurements on multiple state copies, but standard protocols based on swap tests require coherent operations on the full Hilbert space and become experimentally unfeasible for large systems. In this work, we introduce a framework for multi-copy measurements based on random projections onto lower-dimensional subspaces prior to the collective measurement, which is then performed only on the reduced Hilbert space. This procedure yields a tunable tradeoff between coherent quantum resources and statistical sampling overhead, allowing the amount of coherent processing to be matched to the capabilities of the underlying hardware. We derive explicit formulas relating the Haar-averaged projected moments to multivariate traces of the original states and analyze the sampling overhead induced by the projection procedure. Specifically, after compressing an $n$-qubit state to a reduced $q$-qubit subspace, estimating $\mathrm{tr}(\rho^K)$ requires approximately $O(2^{(n-q)(K-1)})$ copies of $\rho$, with each qubit projected out increasing the sampling cost by a factor of $2^{K-1}$. Our results establish how coherent multi-copy operations can be traded for additional state copies, enabling multi-copy quantum protocols to be optimized for the available hardware resources.

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03.
arXiv (quant-ph) 2026-06-19

Quantum deformations of $\mathcal{U}(\mathfrak{sl}(2, \mathbb{R}))$. Part I: Fidelity and experimental benchmarking

作者:
V. Mariscal↗J. J. Relancio↗L. Santamar\'ia-Sanz↗

arXiv:2606.19462v1 Announce Type: new Abstract: This work explores the effects of both the standard quantum $q$-deformation and the non-standard $h$-deformation of the Hopf algebra $\mathcal{U}(\mathfrak{sl}(2, \mathbb{R}))$ on multi-qubit systems. By constructing the states of a Hilbert space of $N$ qubits through the Clebsch-Gordan coefficients associated with the deformed algebras, we show that these states naturally coincide with the eigenstates of the Hamiltonian of the $q$- and $h$-deformed Kittel-Shore models. We compare the resulting deformed states with those typically targeted in quantum information experiments, providing a bridge between algebraic constructions and experimentally relevant quantum resources. Fidelities with respect to the undeformed states are computed to establish how the quantum correlations are affected, both for few-qubit systems (including Dicke and non-Dicke states), and in the macroscopic limit ($N \to \infty$) through closed-form formulas derived for arbitrary Dicke states. The results reveal different behaviors between the two deformations. The $q$-deformation smoothly modifies the states and maintains a residual overlap with the original configurations, while the $h$-deformation rapidly makes the states orthogonal to their undeformed counterparts. Both models demand a standard $N^{-1}$ rescaling to preserve fidelity stability in the macroscopic limit.

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04.
arXiv (CS.CV) 2026-06-16

CLAP: Contrastive Latent Action Pretraining for Learning Vision-Language-Action Models from Human Videos

作者:
Chubin Zhang↗Jianan Wang↗Zifeng Gao↗Yue Su↗Tianru Dai↗Cai Zhou↗Jiwen Lu↗Yansong Tang↗

Generalist Vision-Language-Action models remain constrained by the scarcity of robotic data relative to the abundance of human video demonstrations. Existing Latent Action Models attempt to use video data but often suffer from visual entanglement, encoding noise rather than manipulation skills. To address this limitation, we propose Contrastive Latent Action Pretraining (CLAP), a framework that first uses Act-VAE to learn an executable action-token vocabulary from robot trajectories and then aligns human visual transitions with this vocabulary through contrastive learning. This alignment maps unlabeled human videos into a physically grounded latent action space rather than reconstructing appearance. Building on the aligned tokens, we train CLAP-NTP as an autoregressive VLA using robot demonstrations and pseudo-labeled human videos, preserving instruction following and object generalization. For deployment and target-domain adaptation, we further introduce a post-training strategy that combines CLAP-RF, a Rectified Flow action head for low-latency continuous action chunk prediction, with Knowledge Matching regularization to preserve pretrained semantic knowledge during fine-tuning. Extensive experiments show that CLAP achieves strong performance against competitive baselines while enabling effective skill transfer from human videos to robotic execution.

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05.
arXiv (CS.LG) 2026-06-15

Learning Variable-Length Tokenization for Generative Recommendation

作者:
Minhao Wang↗Bowen Wu↗Wei Zhang↗

arXiv:2605.17779v2 Announce Type: replace Abstract: Generative recommendation reformulates recommendation as next-token prediction over discrete semantic identifiers (IDs). A fundamental yet unexplored design choice is that existing methods employ fixed-length tokenization for all items, implicitly assuming uniform encoding capacity regardless of item characteristics. Through systematic experiments across four datasets, we discover the Popularity-Length Paradox: popular items achieve optimal performance with short IDs, while tail items require substantially longer codes to capture discriminative semantics. This reveals a critical mismatch where popular items benefit from abundant collaborative signals and require minimal semantic detail, whereas tail items must rely on fine-grained content features due to sparse interaction data. To address this, we propose VarLenRec, a framework for learning variable-length tokenization. We develop Popularity-Weighted Information Budget Allocation (PIBA), an information-theoretic framework proving that optimal ID length should scale as a negative power of popularity. Directly implementing variable-length allocation faces two technical challenges: standard Euclidean residual quantization lacks geometric capacity to support diverse code lengths without distortion, and discrete length decisions are non-differentiable. We address these through Hyperbolic Residual Quantization, which leverages the exponential volume growth of the Poincaré ball to naturally stratify encoding capacity, and a Soft Length Controller, which enables differentiable length prediction via continuous layer retention probabilities regularized by PIBA-derived priors. Extensive experiments demonstrate that VarLenRec achieves significant improvements over state-of-the-art methods in recommendation accuracy and training/inference efficiency, revealing the importance of adaptive encoding capacity in generative recommendation.

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

Remote sensing data imputation using deep learning for multispectral imagery

作者:
Shuang Liu↗Fiona Johnson↗Rohitash Chandra↗

Remote sensing techniques have been increasingly utilised in aquatic applications in recent years. A common challenge in using optical satellite data is the presence of missing observations due to cloud cover. These data gaps can lead to missed detection of critical events, such as algal blooms, in lakes of high interest to water authorities. As a result, enhancing the completeness of optical satellite datasets is crucial for improving the monitoring and prediction of algal blooms. In this study, we compared a traditional data imputation method (i.e., linear interpolation) with deep learning models for reconstructing missing spectral bands across four lakes with historical records of algal blooms. The deep learning models adopted include CNN-based architectures (i.e., CNN, Inception Resnet, and Autoencoder) and CNN-LSTM-based architectures (i.e., CNN-LSTM, Resnet-LSTM, and Autoencoder-LSTM). Our results demonstrated that deep learning models substantially outperformed the baseline linear interpolation method in imputing spectral band values within artificially masked regions. Among these models, CNN delivered the best performance across most lakes. Furthermore, we evaluated the performance of algal bloom indices (i.e., Green/Red and NDCI) derived from the imputed imagery by comparing them with the observed data. Our results demonstrate that deep learning models are effective for imputing missing data in PlanetScope SuperDove imagery, enabling more reliable applications in water monitoring.

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

FlowMPC: Improving Flow Matching policies with World Models

作者:
Chandon Hamel↗

arXiv:2606.16286v1 Announce Type: cross Abstract: Flow Matching (FM) is a powerful approach for behavior cloning in multimodal action spaces [Jiang et al., 2025], but because it is not trained to directly maximize expected return, there is still room to improve how FM policies act at test time. This work investigates whether a learned world model can improve FM policies by enabling Model Predictive Path Integral (MPPI) planning over candidate action sequences proposed by the policy. Building on TD-MPC2 [Hansen et al., 2024], I introduce FlowMPC, a framework that combines an imitation-learned FM policy with a learned world model for test-time planning in ManiSkill manipulation tasks [Tao et al., 2025]. Across PickCube and PickSingleYCB, adding the world model improved performance over the FM policy alone, with especially clear gains in end-of-episode success. These results suggest that world-model-based planning can effectively complement flow-based imitation policies without modifying the FM training objective.

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

KLip-PPO: A per-sample KL perspective on PPO-Clip

作者:
Riccardo Colletti↗Robin Holzinger↗

arXiv:2606.23932v1 Announce Type: new Abstract: Proximal Policy Optimization (PPO) is the standard policy-gradient algorithm for on-policy reinforcement learning. The literature presents it in two forms, a clipped surrogate that bounds the importance ratio between successive policies and a Kullback-Leibler penalty between them. These forms are treated as separate algorithms with their own gradients, their own hyperparameters, and their own reference implementations, and a sizeable body of empirical work compares them. We show that the gradient of the clipped surrogate is reproduced exactly by a Kullback-Leibler surrogate whose coefficient varies per sample, with closed-form dependence on the importance ratio and the advantage. The identity holds at every minibatch step and across the entire inner loop, and on five MuJoCo continuous-control benchmarks the two losses produce indistinguishable training curves. The reformulation exposes a structural feature of the clipped surrogate that the min notation hides. PPO-Clip's implicit per-sample penalty is a step function at the boundary of the trust region, and the shape of this coefficient is the natural design axis for generalising the algorithm. We sketch the resulting follow-up directions in the discussion.

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09.
arXiv (CS.CV) 2026-06-12

Zero-Shot Captioning for Cultural Heritage: Automated Image Analysis of Traditional Indonesian Clothing

作者:
Anugrah Aidin Yotolembah↗Novanto Yudistira↗Gembong Edhi Setyawan↗

This paper presents Custom ZeroCLIP, a retrieval-augmented vision-language framework for zero-shot captioning of Indonesian traditional garments. The dataset contains 3,800 expert-annotated images from all 38 Indonesian provinces. Using a province-level inductive zero-shot protocol, the model is trained on 24 seen provinces, validated on 6 seen provinces, and evaluated on 8 unseen provinces. The framework combines a frozen CLIP ViT-B/32 image encoder, a CLIP text encoder, a BERT text encoder, and an LSTM caption decoder. During inference, unseen-province labels and captions are unavailable, and retrieval uses only captions from training provinces. No unseen-province image, label, or caption is used during training, validation, or retrieval-bank construction. Custom ZeroCLIP achieves a CLIPScore of 0.8536, BLEU-4 of 0.3342, and METEOR of 0.4859, outperforming existing baselines. Ablation results show that retrieval improves cultural vocabulary recovery with a 19.3\% METEOR gain, while human evaluation confirms stronger cultural accuracy and fluency. The results demonstrate the effectiveness of retrieval-augmented domain adaptation for culturally grounded caption generation in low-resource heritage settings. The dataset is publicly available at https://github.com/AnugrahAidinYotolembah/Traditional-Indonesian-Clothing-Captioning-Dataset.

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10.
arXiv (CS.AI) 2026-06-19

Neural Additive and Basis Models with Feature Selection and Interactions

作者:
Yasutoshi Kishimoto↗Kota Yamanishi↗Takuya Matsuda↗Shinichi Shirakawa↗

arXiv:2606.19850v1 Announce Type: cross Abstract: Deep neural networks (DNNs) exhibit attractive performance in various fields but often suffer from low interpretability. The neural additive model (NAM) and its variant called the neural basis model (NBM) use neural networks (NNs) as nonlinear shape functions in generalized additive models (GAMs). Both models are highly interpretable and exhibit good performance and flexibility for NN training. NAM and NBM can provide and visualize the contribution of each feature to the prediction owing to GAM-based architectures. However, when using two-input NNs to consider feature interactions or when applying them to high-dimensional datasets, training NAM and NBM becomes intractable due to the increase in the computational resources required. This paper proposes incorporating the feature selection mechanism into NAM and NBM to resolve computational bottlenecks. We introduce the feature selection layer in both models and update the selection weights during training. Our method is simple and can reduce computational costs and model sizes compared to vanilla NAM and NBM. In addition, it enables us to use two-input NNs even in high-dimensional datasets and capture feature interactions. We demonstrate that the proposed models are computationally efficient compared to vanilla NAM and NBM, and they exhibit better or comparable performance with state-of-the-art GAMs.

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

RCEM: Robust Conversational Search EMbedder in Distributional Shift

作者:
Kilho Son↗Paul Hsu↗Cha Zhang↗Dinei Florencio↗

We propose RCEM, a Robust Conversational search EMbedder that is additionally equipped with LLM's query reformulation capability without losing base model's generalization. Unlike prior conversational dense retrieval approaches that learn direct conversation-to-passage matching, RCEM aligns conversations, prepended by special token, to LLM-rewritten queries, while preserving the original embedding space. The unchanged embedding space automatically maps the rewritten-query to the relevant passages. As a result, RCEM (1) reduces overfitting by simplifying the alignment task from long passages to shorter rewritten queries, (2) eliminates the need for conversation-to-passage relevance labels for training, and (3) maintains its original embedding space that allows conversational queries against indexes built by original embedder without rebuilding them. Extensive experiments show that RCEM consistently outperforms prior approaches, achieving up to 30% improvement under distributional shift.

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13.
arXiv (CS.LG) 2026-06-18

KANEL\'E: Kolmogorov-Arnold Networks for Efficient LUT-based Evaluation

作者:
Duc Hoang↗Aarush Gupta↗Philip Harris↗

arXiv:2512.12850v3 Announce Type: replace-cross Abstract: Low-latency, resource-efficient neural network inference on FPGAs is essential for applications demanding real-time capability and low power. Lookup table (LUT)-based neural networks are a common solution, combining strong representational power with efficient FPGA implementation. In this work, we introduce KANEL\'E, a framework that exploits the unique properties of Kolmogorov-Arnold Networks (KANs) for FPGA deployment. Unlike traditional multilayer perceptrons (MLPs), KANs employ learnable one-dimensional splines with fixed domains as edge activations, a structure naturally suited to discretization and efficient LUT mapping. We present the first systematic design flow for implementing KANs on FPGAs, co-optimizing training with quantization and pruning to enable compact, high-throughput, and low-latency KAN architectures. Our results demonstrate up to a 2700x speedup and orders of magnitude resource savings compared to prior KAN-on-FPGA approaches. Moreover, KANEL\'E matches or surpasses other LUT-based architectures on widely used benchmarks, particularly for tasks involving symbolic or physical formulas, while balancing resource usage across FPGA hardware. Finally, we showcase the versatility of the framework by extending it to real-time, power-efficient control systems.

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

SIMBA: ABidirectional Retrieval Forward Simulation Framework for Modeling FY-4A GIIRS Hyperspectral Infrared Radiances Toward NWP Applications

作者:
Jingdong Shen↗Fu Wang↗Qifeng Lu↗Hao Huang↗Chunqiang Wu↗Chi Yang↗Xiaofang Liu↗

arXiv:2606.19943v1 Announce Type: cross Abstract: Hyperspectral infrared observations are an important data source for numerical weather prediction (NWP) because they provide rich information on the vertical structure of atmospheric temperature and humidity. However, most existing deep learning methods mainly focus on one-way retrieval from radiances to atmospheric profiles, while the reverse radiance simulation process and the consistency between atmospheric state space and radiance observation space are insufficiently considered. In this study, we propose SIMBA, a unified bidirectional retrieval-forward simulation framework for FY-4A GIIRS hyperspectral infrared radiance modeling toward NWP applications. The framework jointly performs atmospheric profile retrieval and radiance reconstruction, introduces a cycle-consistency constraint to strengthen the coupling between the two processes, and employs a bidirectional Mamba state-space module to capture long-range dependencies along pressure levels. Using collocated FY-4A GIIRS observations and ERA5 reanalysis data, the proposed method is evaluated for temperature retrieval, specific humidity retrieval, long-wave radiance reconstruction, and medium-wave radiance reconstruction. Experimental results show that SIMBA outperforms several representative deep learning baselines across both retrieval and reconstruction tasks, while ablation experiments confirm the contribution of the bidirectional design and cycle-consistency mechanism. These results demonstrate that the proposed framework is effective for joint atmospheric profile retrieval and hyperspectral infrared radiance modeling, and suggest potential for future Jacobian-related analysis and NWP-oriented extensions.

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15.
arXiv (CS.CL) 2026-06-18

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

作者:
Haocheng Zhang↗Zhuqian Zhou↗Kirk Vanacore↗Bakhtawar Ahtisham↗Ren\'e F. Kizilcec↗

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.

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16.
arXiv (CS.CL) 2026-06-12

Self-Distillation Zero: Self-Revision Turns Binary Rewards into Dense Supervision

作者:
Yinghui He↗Simran Kaur↗Adithya Bhaskar↗Yongjin Yang↗Jiarui Liu↗Narutatsu Ri↗Liam Fowl↗Abhishek Panigrahi↗Danqi Chen↗Sanjeev Arora↗

Current post-training methods in verifiable settings fall into two categories. Reinforcement learning (RLVR) relies on binary rewards, which are broadly applicable and powerful, but provide only sparse supervision during training. Distillation provides dense token-level supervision, typically obtained from an external teacher or using high-quality demonstrations. Collecting such supervision can be costly or unavailable. We propose Self-Distillation Zero (SD-Zero), a method that is substantially more training sample-efficient than RL and does not require an external teacher or high-quality demonstrations. SD-Zero trains a single model to play two roles: a Generator, which produces an initial response, and a Reviser, which conditions on that response and its binary reward to produce an improved response. We then perform on-policy self-distillation to distill the reviser into the generator, using the reviser's token distributions conditioned on the generator's response and its reward as supervision. In effect, SD-Zero trains the model to transform binary rewards into dense token-level self-supervision. On math and code reasoning benchmarks with Qwen3-4B-Instruct and Olmo-3-7B-Instruct, SD-Zero improves performance by at least 10% over the base models and outperforms strong baselines, including Rejection Fine-Tuning (RFT), GRPO, and Self-Distillation Fine-Tuning (SDFT), under the same question set and training sample budget. Extensive ablation studies show two novel characteristics of our proposed algorithm: (a) token-level self-localization, where the reviser can identify the key tokens that need to be revised in the generator's response based on reward, and (b) iterative self-evolution, where the improving ability to revise answers can be distilled back into generation performance with regular teacher synchronization. Code: https://github.com/princeton-pli/Self-Distillation-Zero.

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17.
arXiv (CS.CL) 2026-06-16

RoTRAG: Rule of Thumb Reasoning for Conversation Harm Detection with Retrieval-Augmented Generation

作者:
Juhyeon Lee↗Wonduk Seo↗Junseo Koh↗Seunghyun Lee↗Haihua Chen↗Yi Bu↗

Detecting harmful content in multi turn dialogue requires reasoning over the full conversational context rather than isolated utterances. However, most existing methods rely mainly on models internal parametric knowledge, without explicit grounding in external normative principles. This often leads to inconsistent judgments in socially nuanced contexts, limited interpretability, and redundant reasoning across turns. To address this, we propose RoTRAG, a retrieval augmented framework that incorporates concise human written moral norms, called Rules of Thumb (RoTs), into LLM based harm assessment. For each turn, RoTRAG retrieves relevant RoTs from an external corpus and uses them as explicit normative evidence for turn level reasoning and final severity classification. To improve efficiency, we further introduce a lightweight binary routing classifier that decides whether a new turn requires retrieval grounded reasoning or can reuse existing context. Experiments on ProsocialDialog and Safety Reasoning Multi Turn Dialogue show that RoTRAG consistently improves both harm classification and severity estimation over competitive baselines, with an average relative gain of around 40% in F1 across benchmark datasets and an average relative reduction of 8.4% in distributional error, while reducing redundant computation without sacrificing performance.

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

Context-Aware Prediction of Student Quiz Performance with Multimodal Textbook Features

作者:
Samin Khan↗

arXiv:2606.24770v1 Announce Type: cross Abstract: Educational platforms often predict student performance from prior interactions, but the assessment content itself also varies in linguistic and visual complexity. This paper studies whether lightweight content features extracted from CourseKata chapter-review questions improve prediction of end-of-chapter quiz scores beyond a student's average prior exercise performance. The study combines 2023 CourseKata student response data with chapter-level text features from review-question wording and image features from textbook visuals. Across 4,742 student-chapter observations from 562 class-student IDs, adding content features improves student-grouped five-fold quiz prediction performance by 9.1% relative to a prior-performance baseline. In leave-chapter-out validation, text features reduce prediction error relative to the baseline, while image-containing models have higher error. This paper suggests that a context-aware model adds useful signal about the text and visual features of questions to better predict student quiz performance compared with using past student performance alone.

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

Generative Molecular Design with Steerable and Granular Synthesizability Control

作者:
Jeff Guo↗V\'ictor Sabanza-Gil↗Olha Semenenko↗Oleksii Hrabovskyi↗Mykola Protopopov↗Anna Kapeliukha↗Oleksandr Mosia↗Sofiia Hatych↗Diana Alieksieieva↗Tom Nelis↗Patrick Molliet↗Helena Sol\'e-\`Avila↗…

arXiv:2505.08774v2 Announce Type: replace-cross Abstract: Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and with flexibility to incorporate desired reaction constraints. On the other hand, virtual screening searches for commercially available compounds, but imposes challenges when scaling to ultra-large (billion-size and beyond) chemical spaces. Here, we propose a generative design framework that unifies synthesis-constrained molecular design and ultra-large-scale virtual screening through steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes satisfying mix-and-match constraints: including or avoiding certain reactions, incorporating specific building blocks, and minimizing synthesis route length. In an end-to-end in-house campaign targeting BRD4, we designed molecules synthesizable with specific selected reactions and building blocks, synthesized all six selected compounds, and identified two micromolar binders. We further demonstrate that reaction control enables efficient navigation of ultra-large make-on-demand chemical spaces to identify property-optimal candidates. By applying our framework to Chemspace's Freedom 4.0 make-on-demand space (142 billion molecules), we generated ~320k molecules (0.00023% of the library) on a single consumer-grade GPU (with only 8 GB GPU memory) and identified a micromolar Wee1 binder amongst 60 synthesized candidates. The single unified framework thus enables generating novel synthesizable molecules and retrieving catalogue-ready candidates, offering a flexible solution to mitigating the synthesizability bottleneck.

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20.
arXiv (CS.AI) 2026-06-16

Prototyping an AI-powered Tool for Energy Efficiency in New Zealand Homes

作者:
Abdollah Baghaei Daemei↗

arXiv:2509.05364v2 Announce Type: replace-cross Abstract: Residential buildings contribute significantly to energy use, health outcomes, and carbon emissions. In New Zealand, housing quality has historically been poor, with inadequate insulation and inefficient heating contributing to widespread energy hardship. Recent reforms, including the Warmer Kiwi Homes program, Healthy Homes Standards, and H1 Building Code upgrades, have delivered health and comfort improvements, yet challenges persist. Many retrofits remain partial, data on household performance are limited, and decision-making support for homeowners is fragmented. This study presents the design and evaluation of an AI-powered decision-support tool for residential energy efficiency in New Zealand. The prototype, developed using Python and Streamlit, integrates data ingestion, anomaly detection, baseline modeling, and scenario simulation (e.g., LED retrofits, insulation upgrades) into a modular dashboard. Fifteen domain experts, including building scientists, consultants, and policy practitioners, tested the tool through semi-structured interviews. Results show strong usability (M = 4.3), high value of scenario outputs (M = 4.5), and positive perceptions of its potential to complement subsidy programs and regulatory frameworks. The tool demonstrates how AI can translate national policies into personalized, household-level guidance, bridging the gap between funding, standards, and practical decision-making. Its significance lies in offering a replicable framework for reducing energy hardship, improving health outcomes, and supporting climate goals. Future development should focus on carbon metrics, tariff modeling, integration with national datasets, and longitudinal trials to assess real-world adoption.

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21.
arXiv (quant-ph) 2026-06-11

Fermions are fundamentally more nonlocal than Bosons

作者:
Fatemeh Moradi Kalarde↗Sadra Boreiri↗Xiangling Xu↗Lucas Tendick↗Salman Beigi↗Paolo Perinotti↗Tommaso Guaita↗Marc-Olivier Renou↗

arXiv:2606.12363v1 Announce Type: new Abstract: Bell's theorem shows that entangled quantum particles can exhibit correlations that classical particles cannot reproduce without an additional nonlocal resource, such as communication. In this sense, quantum particles are fundamentally more nonlocal than classical ones, and entanglement becomes unavoidable in physics. Here we prove the analogous result within quantum theory itself: indistinguishable fermions transmitted through a quantum network can generate correlations that distinguishable particles or indistinguishable bosons cannot reproduce without additional communication. In the same sense, fermions are fundamentally more nonlocal than bosons or distinguishable particles, motivating fermionic anticommutation and indistinguishability as unavoidable operational resources. Our result further implies that fermions can strictly surpass all qubit-based protocols for certain distributed computing tasks, demonstrating that a complete understanding of information processing requires going beyond qubits to fermionic information carriers - febits.

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22.
medRxiv (Medicine) 2026-06-16

Optimal Clinical Trials Platform for Progressive Multiple Sclerosis (OCTOPUS): protocol for an international, multi-arm, multi-stage, platform, randomized controlled, double-blind, phase 3 clinical trial.

作者:
Apap Mangion↗Wade↗Pugh↗Burnell↗Burton↗Rauchenberger↗Sweeney↗Nolan↗Lewis↗Brodnicki↗Hudson↗Hunter↗…

Introduction Current treatments for multiple sclerosis (MS) do not address the pathological processes of neurodegeneration and chronic demyelination. This, coupled with the significant challenges of translating promising phase 2 results to phase 3 trial success, highlights the need for more efficient trial designs, such as platform multi-arm multi-stage (MAMS) trial approaches. MAMS trials have demonstrated success in areas such as oncology and infectious diseases. They are typified by a statistically robust core trial design that allows the addition of further treatment arms and utilisation of interim outcome analyses at pre-defined timepoints, to determine whether to terminate a treatment arm early or proceed to the final outcome analysis. To address the challenges in progressive multiple sclerosis (PMS) treatment discovery, the Optimal Clinical Trials Platform for PMS (OCTOPUS) trial was developed. It currently utilises MRI whole-brain atrophy as its interim outcome measure and the clinically relevant composite Expanded Disability Status Scale Plus (EDSS-Plus) as its final outcome measure. A rigorous and systematic drug selection process that assessed preclinical in vitro and animal model evidence, along with additional human data, led to the prioritisation of R/S-alpha lipoic acid (R/S-ALA) and metformin for testing against placebo, targeting pathobiological mechanisms relevant to PMS. All participants will be eligible to receive the current standard of care, including disease-modifying treatments (DMTs). Method and analysis OCTOPUS will be a multi-centre, randomised, placebo-controlled, double-blind, phase 3, MAMS trial of participants aged 25 to 70 years (inclusive) with PMS and an EDSS score of 4.0 to 8.0 (inclusive). Steady progression must be the major cause of increasing disability rather than relapse in the preceding 2 years. In the trial s first candidate drug cycle, participants will be allocated to R/S-ALA, metformin, or placebo in a 1:1:1 ratio. Cycle 1 active treatments will start as R/S-ALA 600 mg once daily, increased after 4 weeks to 600 mg twice daily, or metformin 1 g once daily, increased after 4 weeks to 1 g twice daily. The trial will be multinational, with participation from 28 hospitals across the UK and 10 hospitals in Australia. Clinician-reported measures will include: the EDSS-Plus and the individual components: EDSS, Timed 25 Foot Walk (T25FW); 9 Hole Peg Test (9HPT); Symbol Digit Modalities Test (SDMT); Sloan Low Contrast Visual Acuity (SLCVA); and Relapse assessment. Patient-reported outcomes include MS specific walking, fatigue, pain, and impact scales. We will include a health economic analysis. Analysis stage 1 will require randomisation of 125 participants per arm and utilise MRI percentage brain volume change (PBVC) with the Structural Image Evaluation using Normalisation of Atrophy (SIENA) technique from baseline to 78 weeks. A positive outcome in analysis stage 1 will detect a 0.15% per year whole brain atrophy difference with a one-sided alpha of 0.35 and power of 95%, ensuring a low probability of erroneously rejecting a treatment arm at this stage. Any arms that show a positive effect will proceed to final analysis stage 2. Analysis stage 2 will require 600 participants per arm. Participants included in stage 1 will also be included in the stage 2. Analysis stage 2 will evaluate time to 6-month confirmed disability progression in the EDSS-Plus, in order to detect a 25% hazard ratio reduction with 90% power and an alpha of 0.05. Assuming one treatment arm proceeds to analysis stage 2, the trial will recruit approximately 1,200 participants and last about 6 years. This is approximately two-thirds the size and half the duration of separately conducted two-arm phase 2 and 3 trials. Ethics and dissemination The protocol was approved by the London Hampstead REC (22/LO/0622). This manuscript is based on protocol version 8.0, 28th August 2025. The findings of this trial will be disseminated through peer-reviewed publications and conference presentations. There will be a close communication strategy developed with the UK MS Society (MSS) and full patient and public involvement and engagement (PPIE). Trial registration ISRCTN: 14048364 EudraCT number: 2021-003034-37 CTA 20363/0445 IRAS number: 1003943 Secondary identifying numbers: ND001, CPMS 54274 Strengths and limitations - The OCTOPUS trial will be the first platform multi-arm multi-stage phase 3 trial in PMS, offering the potential to significantly expedite clinical trial processes with advantages in cost- and time-efficiency, focusing specifically on the poorly treated pathobiological processes of chronic neurodegeneration and demyelination - It will begin by assessing two promising drug candidates, immediate-release metformin and R/S-ALA, and will expand over the duration of the trial to include more drug arms under the same trial master protocol - The flexible and statistically robust trial design means that several components of the design (such as the early analysis stage 1 interim outcome) can be updated in line with evolving scientific knowledge - It will ultimately be the largest ever investigator-initiated phase 3 trial in PMS - It will include a range of national and international trial sites, including neuroscience centres and district general hospitals - It will have a high inclusion limit for age (up to 70 years) and disability (up to EDSS 8.0) - Several components (the telephone EDSS and virtual patient-reported outcome measures) will be amenable to remote collection increasing inclusivity and thus addressing public and participant suggestions, while minimising the risk of missing data - The main challenges in this trial design are the statistical and methodological complexity involved in design and implementation, and interpretation of interim trial results. Conclusion The trial launched cycle 1 in January 2023. Analysis stage 1 recruitment of 375 participants was achieved in November 2024, enabling planned interim analysis stage 1 to be conducted by late 2026 (Figure 1). On the 1st of June 2026, in the UK, 24 sites are active with a further 4 in set-up as part of stage 2, and in the Australian extension, Platform Adaptive Trial for Remyelination and Neuroprotection in Multiple Sclerosis (PLATYPUS), 1 site is active, with 9 additional sites in set-up.

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23.
arXiv (CS.AI) 2026-06-15

AudioDER: A Deduplication-Enhanced Reasoning Dataset for Post-Training Large Audio-Language Models

作者:
Hui Geng↗Yi Su↗Han Yin↗Tianjiao Wan↗Qisheng Xu↗Jiaxin Chen↗Zijian Gao↗Hengzhu Liu↗Xie Chen↗Kele Xu↗

arXiv:2606.14591v1 Announce Type: cross Abstract: Large Audio-Language Models (LALMs) have shown strong performance on a wide range of audio understanding tasks, yet they still struggle with complex audio reasoning. A practical way to improve such capabilities is post-training, whose effectiveness critically depends on the quality and diversity of training data. However, existing audio-language datasets often contain substantial redundancy, where many samples are highly similar in acoustic content and thus provide overlapping supervisory signals. Such redundancy not only increases annotation cost, but also limits corpus diversity and reduces the effectiveness of post-training. To address this issue, we propose a redundancy-aware data construction pipeline for building reasoning-oriented supervision for LALMs. Specifically, we first perform acoustic similarity-based deduplication across raw audio datasets to improve corpus diversity. We then integrate existing audio captions and question-answer pairs into a unified multiple-choice format. Based on these unified annotations, we leverage Qwen3-30B to generate chain-of-thought (CoT) rationales for reasoning-oriented supervision. Based on this pipeline, we construct AudioDER, a reasoning-oriented post-training dataset containing approximately 191k samples spanning sound, speech, and music. Each sample consists of an audio clip, a multiple-choice question, four answer candidates, an audio caption, and a CoT rationale. Extensive experiments show that post-training on AudioDER consistently improves the performance of Qwen2-Audio-7B-Instruct on multiple audio reasoning benchmarks, including MMAU-mini, MMSU, and MMAR. We hope AudioDER can serve as a valuable resource for advancing audio reasoning research and the development of more capable LALMs.

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

An Ontology-Guided Multi-Anchor Graph Retrieval Framework for Traffic Legal Liability Determination

作者:
Xu Li↗Shuqi Tian↗Xun Han↗Kuncheng Zhao↗Xinyi Li↗

Traffic law liability determination is critical for assigning legal penalties, requiring the simultaneous identification of interdependent statutory provisions across multiple legal dimensions. However, existing retrieval-augmented generation methods suffer from a multi-dimensional retrieval bottleneck: single axis architectures compress complex legal queries into a single pathway, causing interdependent statutory dimensions to be overlooked. To address this, we propose OMAGR, an ontology-guided framework that decomposes queries into ontology-aligned anchors and executes parallel graph retrieval across each dimension, ensuring independent retrieval across dimensions before fusion. To evaluate the proposed method, we created the TrafficLaw-QA dataset, an expert-validated benchmark dataset containing 200 questions and 527 legal provisions. Results show that TrafficOmni-RAG outperforms baselines on Context Precision and Faithfulness metrics. The findings demonstrate that parallel multi-anchor retrieval effectively resolves the multi-dimensional retrieval bottleneck, offering a promising direction for traffic law liability determination research.

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