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01.

bioRxiv (Bioinfo) 2026-06-20 DOI: HASH:1c265d030b04e3568efa429d59973edf

Evaluation of Trypanosoma brucei Phosphofructokinase Allosteric Inhibition: An In-Silico Study

作者:

Gumbis↗Houston↗D. R↗

Human African trypanosomiasis, caused by a protozoan parasite Trypanosoma brucei, is a neglected tropical disease for which well-tolerated, conveniently administered, and highly efficacious medicines are still missing. Previously, T. brucei Phosphofructokinase was targeted by small-molecule inhibitor development efforts. This approach has shown promise both in vitro and in vivo. In this study, we have used these wet-lab results, evaluated the compounds already characterised by Molecular Dynamics simulations, found relationships between in silico and wet-lab data and used these observations to evaluate compounds that we selected through several different approaches of virtual screens. We observed that inhibitor-ATP interactions are highly predictive of the inhibitory activity. Several compounds selected through virtual screens have outperformed previously characterised compounds.

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02.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2605.29649

LLM-Evolved Domain-Independent Heuristics for Symbolic AI Planning

作者:

Elliot Gestrin↗Jendrik Seipp↗

arXiv:2605.29649v2 Announce Type: replace Abstract: Heuristic search is the dominant paradigm in symbolic AI planning, and the strongest heuristics are the result of decades of work by planning researchers. Recent work has shown that large language models (LLMs) can design heuristics for individual planning domains, but no LLM-generated heuristic has so far worked on arbitrary planning tasks. In this paper, we use evolutionary search to produce the first LLM-generated domain-independent heuristics that exceed the hand-engineered state of the art. We let an LLM mutate parent heuristics written in C++, store candidates in a MAP-Elites archive keyed on informedness and speed and calculate fitness scores by blending coverage with solving time. To place the evolved programs in context, we additionally benchmark a broad set of hand-engineered heuristics on their informedness-speed tradeoff, which to our knowledge has not been done before. On unseen testing domains, our best evolved heuristic solves more tasks than even the strongest baseline, with our full heuristic suite spanning the Pareto frontier of said tradeoff. We also find that seeding evolution from the trivial blind heuristic outperforms seeding from the strong FF heuristic, even when the resulting program is itself an FF variant, and that LLM reasoning effort affects how often candidates compile much more than the quality of those that do. Because the evolved programs are plain C++, they slot into existing planners as drop-in replacements and inherit the soundness and completeness guarantees of the underlying search.

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03.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2511.05017

Towards Mitigating Hallucinations in Large Vision-Language Models by Refining Textual Embeddings

作者:

Aakriti Agrawal↗Gouthaman KV↗Rohith Aralikatti↗Gauri Jagatap↗Jiaxin Yuan↗Sarvesh Baskar↗Vijay Kamarshi↗Andrea Fanelli↗Furong Huang↗

Hallucinations in Large Vision-Language Models (LVLMs) remain a persistent challenge, often stemming from inadequate integration of visual information during multimodal reasoning. A key cause is the model's over-reliance on textual priors and underutilization of visual cues, leading to outputs that are linguistically fluent but visually inaccurate. For example, given an image of an empty kitchen countertop, an LVLM might hallucinate a "bowl of fruit" or "cup of coffee", relying on language associations rather than visual evidence. Most LVLMs incorporate visual features by appending them to the input stream of a pre-trained LLM and training on large-scale vision-language datasets. Our systematic analysis reveals that this strategy often leads to over-dependence on textual information due to the inherent bias of LLMs towards language-dominant representations. This imbalance skews attention towards the text over visual content, weakening the model's ability to ground outputs in visual inputs. To address this, we propose a simple yet effective visual feature incorporation method that encourages the model to learn visually-informed textual embeddings distinct from those of the base LLM and promotes a more balanced attention distribution. Experimental results across multiple hallucination benchmarks demonstrate that our method significantly reduces hallucinations and fosters more balanced multimodal reasoning. Notably, our approach achieves substantial gains, including +9.33% on MMVP-MLLM, +2.99% on POPE-AOKVQA, up to +3.4% on Merlin, and +3% on the hard-data split of HallusionBench.

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04.

arXiv (CS.CL) 2026-06-17 DOI: arXiv:2603.17356

PACE-RAG: Patient-Aware Contextual and Evidence-Constrained RAG for Clinical Drug Recommendation

作者:

Chaeyoung Huh↗Hyunmin Hwang↗Jung Hwan Shin↗Sungyang Jo↗Jinse Park↗Jong Chul Ye↗

Drug recommendation requires a deep understanding of individual patient context, especially for complex conditions like Parkinson's disease. While LLMs possess broad medical knowledge, they fail to capture the subtle nuances of actual prescribing patterns. Existing RAG methods also struggle with these complexities because guideline-based retrieval remains too generic and similar-patient retrieval often replicates majority patterns without accounting for the unique clinical nuances of individual patients. To bridge this gap, we propose PACE-RAG (Patient-Aware Contextual and Evidence-Constrained RAG). Rather than directly copying frequent medications from retrieved patients, PACE-RAG personalizes recommendations by first extracting patient-specific clinical features, retrieving cases around these features, and then refining the final prescription using the patient's current symptoms, active medication history, and focus-specific prescribing tendencies. By analyzing treatment patterns tailored to specific clinical features, PACE-RAG generates patient-specific medication recommendations along with an explainable clinical summary. Evaluated on a Parkinson's cohort and the MIMIC-IV benchmark using Llama-3.1-8B and Qwen3-8B, PACE-RAG achieved state-of-the-art performance, reaching F1 scores of 80.84% and 47.22%, respectively. These results suggest that PACE-RAG is a robust and clinically grounded framework for personalized decision support. Our code is available at: https://github.com/ChaeYoungHuh/PACE-RAG.

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05.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.11744

Hey Chat, Can You Teach Me? Structuring Socratic Dialogue for Human Learning in the Wild

作者:

Sidney Tio↗Arunesh Sinha↗Pradeep Varakantham↗

Large language models are now widely used for everyday learning, but the underlying interactions are typically unstructured chats rather than following a curriculum. Unlike formal online learning systems, these interactions carry no prior record of the student, so any estimate of what the student already knows must be inferred from the dialogue itself. We show that this gap is not closed by scaling models alone. Frontier and education-tuned LLMs perform poorly when asked to tutor a student over an extended session, because doing so requires three things at once. The tutor must sequence a curriculum, conduct Socratic dialogue, and infer the student's knowledge state from that dialogue. We propose separating these responsibilities. Given a student query, our system constructs a prerequisite knowledge graph in which subtopics are nodes and dependencies are edges, and frames tutoring as deciding which node to teach next and how many dialogue turns to spend on it before moving on. A lightweight PPO policy handles this sequencing decision, while an LLM conducts the Socratic exchange at the chosen node and returns a signal of student progress. Across held-out STEM and non-STEM topics, our PPO-paired tutor outperforms heuristic baselines, frontier general-purpose models, and a model specialised for Socratic dialogue: on both the rate at which students reach full curriculum mastery and the number of turns required. Explicit curriculum structure delivers gains that scaling the underlying model does not.

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06.

arXiv (CS.CL) 2026-06-18 DOI: arXiv:2606.18389

Want Better Synthetic Data? Steer It: Activation Steering for Low-Resource Language Generation

作者:

Jan Cegin↗Daniil Gurgurov↗Yusser Al Ghussin↗Simon Ostermann↗

Large language models (LLMs) have become an effective tool for synthetic data generation, including for low-resource languages, where generated data can improve downstream task performance. Current best-performing approaches typically rely on few-shot prompting with target-language examples, which increases inference costs and may reduce diversity through lexical anchoring. In this work, we investigate activation steering as an alternative for low-resource synthetic data generation. We study two steering strategies: Language Steering, which targets the linguistic identity of a language, and Quality Steering, which captures well-formedness by contrasting human-written and backtranslated text representations. We evaluate these methods across four open-source LLMs, multiple layers, and 11 typologically diverse languages by generating sentiment and topic classification data and finetuning smaller classifiers. Steering is applied in both zero-shot and few-shot prompting settings and compared against non-steered counterparts. Our results show that steering on early layers consistently improves the diversity of generated data while often yielding stronger downstream model performance, particularly for low-resource languages.

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07.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.13964

CaricHarmony: Contrastive Diffusion Paths for Identity-Preserving Caricature Synthesis

作者:

Dongyu Wang↗Dar-Yen Chen↗Yi-Zhe Song↗

Sketch-based caricature synthesis suffers from a fundamental failure mode: when identity and shape conditions are combined in diffusion models, they create destructive interference that causes inevitable collapse toward either bland portraits or unrecognizable distortions. We identify the root cause as condition signal contamination – competing probability distributions in the denoising trajectory that make balanced generation impossible. We present CaricHarmony, the first training-free method that explicitly resolves this contamination through parallel uncontaminated diffusion paths. During inference, we maintain three paths: $\mathcal{P}^{\mathrm{i}}$ (pure identity), $\mathcal{P}^{\mathrm{s}}$ (pure shape), and $\mathcal{P}^{\mathrm{i+s}}$ (harmonized output). Novel energy functions operating on cross-attention features provide gradient guidance that steers $\mathcal{P}^{\mathrm{i+s}}$ toward optimal balance: $\mathcal{E}_{\mathrm{shape}}$ ensures sketch fidelity through layout and semantic alignment, while $\mathcal{E}_{\mathrm{id}}$ employs token-level correspondence matching robust to extreme distortions. Unlike DemoCaricature requiring 70 seconds per-identity fine-tuning or CaricatureBooth constrained to Bezier curves, CaricHarmony accepts any sketch format and generates in under 16 seconds. Experiments demonstrate state-of-the-art performance: 0.8615 shape CLIP score (vs. 0.8450) under comparable identity consistency score, with 7.81 overall user preference score (vs. 6.06). Our method fundamentally reconceptualizes the ID-shape conflict as conditioning signal contamination for diffusion models, enabling unprecedented creative control while preserving recognition.

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08.

bioRxiv (Bioinfo) 2026-06-14 DOI: HASH:af0d08b0eefa74a7ba6367fc17594a0f

Transposable elements as evolutionary substrates of proteindisorder in the human proteome

作者:

Mac Donagh↗Vergesio↗Aguilar↗Nores↗Lagares↗Fornasari↗M. S↗Parisi↗

Intrinsically disordered regions (IDRs) are central contributors to protein function, evolution and human disease, yet the evolutionary routes that seed new disordered segments within pre-existing proteins are still poorly understood. Sequence insertions provide a powerful mechanism for disorder expansion, but the genomic donors of inserted IDR and its long-term conformational fate remain largely unknown. Transposable elements (TEs), abundant mobile genetic elements with distinctive compositional biases, represent compelling candidates for generating disorder within proteins. Here, we systematically mapped TE-derived segments across human proteins and isoforms, and we found that these insertions are strongly enriched in intrinsic disorder. The structural consequences of their insertion are shaped by TE class and family, reflecting the sequence biases of the elements from which they originate. Recent, Primate specific insertions preferentially generate disordered segments, whereas older insertions more frequently occupy ordered structural contexts, revealing an age-dependent transition in the conformational state of TE-derived sequences. TE-containing isoforms are expressed at lower levels than TE-free isoforms, particularly when insertions are young and disorder-rich, suggesting that intrinsic disorder may constrain the cellular tolerance of newly exonized sequences. These findings identify TEs as a major evolutionary mechanism linking genome mobility to the emergence of new disordered conformational ensembles in the human proteome.

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09.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2606.12443

Occupational Prompting Reveals Cultural Bias in Large Language Models

作者:

Maksim E. Eren↗Andrea Brennen↗Ryan C. Barron↗Eric Michalak↗

Social roles shape expectations, priorities, and judgments, yet it remains unclear how large language models (LLMs) associate occupational identities with broader cultural value patterns. Prior work used nationality-based cultural prompting to study how LLM responses to value-survey questions align with human cultural benchmarks. In this paper, we extend that framework by replacing cultural prompting with occupational prompting to examine how professional-role cues influence value-survey responses in open-weight LLMs. Using a survey-grounded evaluation pipeline based on questions from the Integrated Values Surveys, we project model responses into the two-dimensional Inglehart–Welzel cultural space. We prompt open-weight LLMs to answer questions under occupational identities such as accountant, teacher, engineer, and nurse, and then analyze how these occupation-conditioned responses are positioned on the cultural map. Our results show that when open-weight LLMs are prompted with occupations rather than national identities, their responses remain within a broadly Western-leaning region of the cultural map. However, different occupations introduce shifts within this region, producing distinct occupational skews. This indicates that occupational prompts are not treated as neutral role labels, but instead elicit structured value patterns. These findings extend survey-based evaluation of cultural bias beyond nationality-based prompting and provide a framework for studying how occupational personas shape value expression in LLMs.

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10.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2605.17131

A Survey on Deep Learning Architectures for Point Cloud Classification and Segmentation

作者:

Minhas Kamal↗Hiranya Garbha Kumar↗Balakrishnan Prabhakaran↗

Point cloud stands as the most widely adopted format for representing 3D shapes and scenes due to its simplicity and geometric fidelity. However, its inherent unordered and irregular nature, exacerbated by sensor noise and occlusions, introduces unique challenges for machine learning based methodologies. To combat these issues, diverse strategies have been developed, including converting to a format that has orderliness, extracting local geometry, and permutation-invariant or self-attention-based processing. In this paper, our focus is directed towards deep learning models for three fundamental tasks in 3D vision: point cloud classification, part segmentation, and semantic segmentation. We begin by formally defining point cloud data, followed by an in-depth discussion on its structural characteristics. Then, we categorize notable works based on their backbone structure and evaluate their performance on popular benchmarks. Beyond empirical comparison, we offer insights into architectural innovations and limitations. We also outline open challenges and promising future directions for 3D point cloud understanding.

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11.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2604.11364

The Missing Knowledge Layer in Cognitive Architectures for AI Agents

作者:

Micha\"el Roynard↗

arXiv:2604.11364v2 Announce Type: replace Abstract: The two most influential cognitive architecture frameworks for AI agents, CoALA [21] and JEPA [12], both lack an explicit Knowledge layer with its own persistence semantics. This gap produces a category error: systems apply cognitive decay to factual claims, or treat facts and experiences with identical update mechanics. We survey persistence semantics across existing memory systems and identify eight convergence points, from Karpathy's LLM Knowledge Base [10] to the BEAM benchmark's near-zero contradiction-resolution scores [22], all pointing to related architectural gaps. We propose a four-layer decom position (Knowledge, Memory, Wisdom, Intelligence) where each layer has fundamentally different persistence semantics: indefinite supersession, Ebbinghaus decay, evidence-gated revision, and ephemeral inference respectively. Companion implementations in Python and Rust demonstrate the architectural separation is feasible. We borrow terminology from cognitive science as a useful analogy (the Knowledge/Memory distinction echoes Tulving's trichotomy), but our layers are engineering constructs justified by persistence-semantics requirements, not by neural architecture. We argue that these distinctions demand distinct persistence semantics in engineering implementations, and that no current framework or system provides this.

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12.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.18074

Tensor-based second-order causal discovery

作者:

Nathan Ouyang↗Kexin Wan↗Anna Seigal↗

arXiv:2606.18074v1 Announce Type: cross Abstract: Causal discovery seeks to uncover the causal dependencies among variables. For this purpose, we propose an algorithm called Tensor-based Second-order Causal Discovery (TSCD). Its input is a tensor obtained from the covariance matrices of observational and interventional data. Assuming the causal dependencies follow a linear structural equation model on a directed acyclic graph (DAG), TSCD outputs the DAG and the functions on its edges, requiring only that the noise variables are uncorrelated. We also implement a version of the approach for nonlinear models. Our focus on second-order statistics (via the covariance matrices) is motivated by their statistical and computational efficiency relative to higher-order moments, their identifiability relative to first-order statistics, and that they work regardless of whether the variables are Gaussian. We show that TSCD has identifiable causal order and parameters from a number of interventions that is logarithmic in the number of variables. Experiments show that TSCD is robust to noise, competitive with existing methods, and scales to hundreds of variables.

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13.

arXiv (quant-ph) 2026-06-17 DOI: arXiv:2602.23773

Entanglement dynamics for atoms near a reflecting boundary: Enhancement and suppression by environment-induced interactions

作者:

Ying Chen↗Hongwei Yu↗Jiawei Hu↗

arXiv:2602.23773v2 Announce Type: replace Abstract: We investigate how environment-induced interactions influence the entanglement dynamics of two atoms held at fixed positions near a perfectly reflecting boundary. Within the framework of open quantum systems, we explicitly incorporate the environment-induced energy shifts, including both atom-boundary contributions and an environment-induced atom-atom interaction, which are often neglected in previous studies. We show that, for any initial two-atom state, these energy-shift effects qualitatively and quantitatively modify the entanglement dynamics relative to treatments that omit them. Depending on the geometry and parameter regime, the environment-induced interactions can either enhance entanglement generation – yielding a larger maximum concurrence and a longer entanglement lifetime – or suppress it, reducing both the peak concurrence and the survival time. This behavior contrasts sharply with the free-space case, where the environment-induced atom-atom interaction affects entanglement generation only for a restricted class of initial states and does so in an exclusively assisting manner.

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14.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15268

When to use what Schatten-$p$ norm in deep learning?

作者:

Thomas Pethick↗

arXiv:2606.15268v1 Announce Type: new Abstract: Schatten-$\infty$ based optimizers such as Muon have shown promising empirical performance, but there remains seemingly conflicting observations regarding whether they are beneficial. We resolve this conflict by showing that the conclusion is regime dependent. Even when the objective is smooth in the Schatten-$\infty$ geometry, smaller Schatten-$p$ geometries can be optimal, specifically in the low-dimensional regime, which we show includes Chinchilla scaling. This conclusion follows from a new noise-robust acceleration result for the SODA framework for $p>2$. The same analysis explains why Muon-like methods do not require warmup, why they naturally favor large batches, and yields a batch size scaling rule for arbitrary $p$.

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15.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.07489

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

作者:

Jeremy Yang↗Kate Zyskowski↗Noah Yonack↗Jerry Ma↗

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

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16.

medRxiv (Medicine) 2026-06-15 DOI: HASH:7dfa5bfb4f75632db783f85e7e0083d7

Investigation of Intra-Fraction Stability and Inter-Fraction Reproducibility of Deep Inspiration Breath-Hold Across Two Hypofractionated Radiotherapy Regimens in the HYPORT Adjuvant Study.

作者:

MAHATA↗Roy↗Khatua↗Maity↗Barik↗Chakraborty↗Chatterjee↗

Background: Deep Inspiration Breath Hold (DIBH) is a widely used respiratory motion management technique for minimizing cardiac dose in left-sided breast radiotherapy. In the Breast HYPORT Adjuvant study, DIBH was employed for cardiac sparing in patients without nodal irradiation using a standardized institutional protocol with the Varian Real-time Position Management (RPM) system. Both moderate-hypofractionation (control arm - 40Gy in 15 fractions) and one-week hypofractionation (experimental arm - 26 Gy in 5 fractions) regimens were delivered using this protocol. This study aimed to evaluate the robustness of DIBH by analyzing intra-fraction stability and inter-fraction reproducibility of breath-hold amplitude across the two treatment regimens. Methods: Respiratory waveforms acquired during each treatment session were analyzed to determine the median breath-hold amplitude and its standard deviation during beam delivery. Intra-fraction stability was assessed from vari- ations within individual treatment sessions, while inter-fraction reproducibility was evaluated relative to the simula- tion waveform amplitude across all treatment sessions. These parameters were compared between the two HYPORT regimens to examine breath-hold consistency during treatment delivery. Moreover, an additional comparison was made between the one-week hypofractionation regimen and the first five fractions of the moderate-hypofractionation regimen to evaluate the effect of treatment duration . Lung volumes from free-breathing and DIBH CT scans were analyzed to assess the effectiveness of patient breath-hold training. Results: Both arms demonstrated an average 1.7-fold increase of air volume in lung during the breath-hold position, confirming the effective implementation of DIBH during treatment planning and delivery. Structured training resulted in increased breath-hold amplitudes, with gains of 22.87% and 24.16% with respect to the first trial session in the experimental and control arms, respectively. Both regimens receive equivalent doses for approximately the same air volume in lung . Despite the different prescription doses in the two arms (26 Gy vs. 40 Gy), the experimental arm achieved an equivalent mean heart dose of 2.91% (75.6 cGy) compared with 2.95% (118.51 cGy) in the control arm, suggesting a similar cardiac preservation protocol adopted during treatment planning. Intra-fraction stability was similar between the control arm and the experimental arm, with median amplitude variations of 1.006 mm (95% CI: [0.998-1.015]) and 1.079 mm (95% CI: [1.067-1.097]), respectively. In contrast, inter-fraction reproducibility improved in the experimental arm, with lower deviation from simulation amplitude (0.44 {+/-} 0.24 mm vs. 0.66 {+/-} 0.25 mm) for the entire treatment schedule. The stability and reproducibility of experimental arm were further compared with the first five fractions of the control arm. The results were similar to those of the experimental arm. Conclusion: In this study, we compared two treatment regimens in terms of intra-fraction stability and inter-fraction reproducibility during DIBH radiotherapy. Both regimens demonstrated comparable intra-fraction stability, indicating effective motion management irrespective of treatment duration. However, the experimental arm showed better inter- fraction reproducibility, suggesting more consistent breath-hold performance throughout the treatment course. Based on stability and reproducibility, a reasonable narrowing of the DIBH gating window may be implemented with minor changes to the institutional protocol. The observed trend highlights the potential for improved consistency with the experimental approach and supports further investigation to better understand the underlying factors and strengthen these findings in future studies.

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17.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19787

ORAgentBench: Can LLM Agents Solve Challenging Operations Research Tasks End to End?

作者:

Jiajun Li↗Mingshu Cai↗Yixuan Li↗Yu Ding↗Ran Hou↗Guanyu Nie↗Xiongwei Han↗Wanyuan Wang↗

arXiv:2606.19787v1 Announce Type: new Abstract: Large language models are increasingly deployed as autonomous agents for multi-step tasks in executable environments, yet their ability to perform realistic operations research (OR) work remains unclear. Existing OR evaluations often decouple modeling from solving, rely on pre-formalized or text-only instances, and rarely test the full workflow from operational artifacts to validated decisions. In this work, we introduce ORAgentBench, an execution-grounded benchmark for evaluating autonomous agents on challenging end-to-end operations research tasks. It contains 107 human-reviewed tasks across diverse operational scenarios, each packaged in an isolated environment with a natural-language brief, multi-file data, configuration artifacts, and a required submission schema. Agents must write and run solution code, and their submissions are evaluated by hidden validators for schema validity, hard-constraint feasibility, and normalized objective quality. Experiments with fourteen frontier agent-model configurations show that current agents remain far from reliable OR practice. The best agent passes only 35.51% of all tasks and 20.59% of hard tasks, and many feasible submissions still fall below the required quality threshold. Failure analysis further shows that errors are dominated by strategic weaknesses, including missed operational rules, brittle formulations, weak feasible-solution construction, and insufficient solution improvement. OR-specific procedural skills increase hard-task feasibility, but do not reliably improve solution quality or pass rate. These results suggest that progress in OR agents requires moving beyond plausible optimization code toward dependable, high-quality operational decision-making.

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18.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2606.11529

XPR: An Extensible Cross-Platform Point-Based Differentiable Renderer

作者:

Steve Rhyner↗Sankeerth Durvasula↗Aleksandr Kovalev↗Hansel Jia↗Adrian Zhao↗Mrutunjayya Mrutunjayya↗Nilesh Ahuja↗Selvakumar Panneer↗Christina Giannoula↗Nandita Vijaykumar↗

Point-based differentiable rendering underpins modern 3D reconstruction, novel-view synthesis, and learning-based graphics pipelines, but developing new rendering methods often requires extensive low-level implementation, hardware-specific kernels, and manually written backward passes. This limits rapid prototyping, reproducibility, exploration, and deployment, especially across diverse hardware platforms. This paper presents XPR, an extensible cross-platform framework for point-based differentiable rendering. XPR introduces a high-level programming interface that separates method-specific logic from the shared rendering pipeline, allowing users to implement new methods in a few lines of code. Its pipeline decomposes rendering into modular, statically shaped parallel operations that can be lowered by a cross-platform compiler to GPUs, TPUs, CPUs, and other ML accelerators. We demonstrate implementations of 3DGS, 3DGUT, and LinPrim, with only a few 100s lines of Python code, each of which can be compiled to a range of hardware platforms with the XLA compiler. These results show that XPR enables fast experimentation and portable execution for emerging point-based differentiable rendering systems.

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19.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2606.14313

Nonlocal Bayesian Modeling of Continuous Spatio-Temporal Dynamics

作者:

Jaeyeong Lee↗Heeyoung Kim↗

arXiv:2606.14313v1 Announce Type: cross Abstract: Real-world spatio-temporal forecasting must handle irregular time points, spatially sparse observations, and the need for uncertainty quantification. This setting is often further compounded by nonlocal interactions (long-range spatial coupling). Modeling continuous-space, continuous-time nonlocal dynamics naturally leads to infinite-dimensional integro-differential equations (IDEs), making principled Bayesian inference intractable. We propose the NonLocal Bayesian Spatio-Temporal model (NLBST), a hierarchical Bayesian framework for continuous spatio-temporal fields that learns explicit nonlocal coupling while retaining tractable inference. NLBST represents the latent field via a coordinate-based spatial basis expansion and models the coefficient process with a continuous-time ODE whose learnable linear operator corresponds to a Galerkin reduction of a nonlocal IDE; a Neural ODE residual captures additional nonlinear dynamics. A linear-Gaussian observation model enables Kalman-style sequential updates under missing and irregular observations, while the spatial basis representation enables inductive prediction at unmeasured locations without retraining. Global parameters are learned via variational inference, and uncertainty is handled through a Bayesian hierarchy. Experiments on synthetic and real-world datasets demonstrate strong forecasting and spatial generalization with well-calibrated uncertainty, yielding substantial gains over baselines in strongly nonlocal and partially observed regimes.

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20.

bioRxiv (Bioinfo) 2026-06-16 DOI: HASH:c29aeb01426a8585297d230583894f4c

THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication

作者:

Klamt↗Jaczkowski↗Franke↗Nejdl↗

Natural products remain one of the most productive sources of pharmacologically active compounds for drug discovery, yet the current open aggregator landscape attributes licenses at database rather than compound granularity, with consequences that have become tangible as the field grows. A recent relicensing event in one constituent source (the September 2024 transition of the Natural Products Atlas to CC BY-NC 4.0) demonstrates how database-level licensing propagates across an aggregate and motivates the per-compound audit framework presented here. The same peer cohort separately leaves classification provenance and stereoisomer-family relations coarser than either layer warrants. THEOBROMA, accessible at url{https://theobroma.l3s.uni-hannover.de}, integrates 1{,}133{,}004 natural products from 29 open sources under a per-compound license audit that resolves each compound's license tier across all attesting sources under a most-restrictive-wins rule, identifying 900{,}170 compounds (79.4%) under open-use licenses and exposing the per-source attestation chain and resolved tier through a dedicated audit endpoint and a query-time license filter. A three-tier classification stratifies 89.3% coverage into 35.1% curated, 43.9% high-confidence inferred, and 10.3% exploratory tiers, with 486{,}215 stereoisomer families preserved by full 27-character InChIKey deduplication and exposed via a dedicated texttt{/api/stereoisomers/} endpoint and a radial-family display. Per-compound license provenance is the primary differentiator. Classification stratification and stereoisomer-family exposure add finer-grained access to two related axes, supporting license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale. As an evolving open resource, THEOBROMA pairs continuous pipeline maintenance with interactive geographic, taxonomic, and chemical-space exploration.

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21.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2506.06542

Direct Fisher Score Estimation for Likelihood Maximization

作者:

Sherman Khoo↗Yakun Wang↗Song Liu↗Mark Beaumont↗

arXiv:2506.06542v2 Announce Type: replace-cross Abstract: We study the problem of likelihood maximization when the likelihood function is intractable but model simulations are readily available. We propose a sequential, gradient-based optimization method that directly models the Fisher score based on a local score matching technique which uses simulations from a localized region around each parameter iterate. By employing a linear parameterization to the surrogate score model, our technique admits a closed-form, least-squares solution. This approach yields a fast, flexible, and efficient approximation to the Fisher score, effectively smoothing the likelihood objective and mitigating the challenges posed by complex likelihood landscapes. We provide theoretical guarantees for our score estimator, including bounds on the bias introduced by the smoothing. Empirical results on a range of synthetic and real-world problems demonstrate the superior performance of our method compared to existing benchmarks.

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22.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15066

Quantum simulation of the Liouville equation in classical mechanics with discontinuous potential via Schrödingerization

作者:

Shi Jin↗Shuyi Zhang↗

arXiv:2606.15066v1 Announce Type: new Abstract: We develop quantum simulation algorithms for the Liouville equation of classical mechanics with discontinuous potential. Such discontinuities represent potential barriers at which classical particles undergo energy preserving transmission or reflection, and the resulting interface conditions must be incorporated into the numerical flux. We combine Hamiltonian-preserving schemes by Jin and Wen in Commun. Math. Sci. 3(3), 285-315 (2005) with the Schrödingerization method, which embeds the resulting nonunitary semi-discrete dynamics into a unitary Schrödinger type system in one additional auxiliary variable [arXiv:2212.14703, arXiv:2212.13969]. For one-, two-, and $n$-dimensional problems with grid aligned interfaces, we construct sparse matrix representations of the transmission and reflection fluxes using step and hat functions, derive the corresponding Hamiltonians of the Schrödingerized systems, and analyze their sparse-access query complexity. In the sparse-access oracle model, the resulting algorithms have a polynomial dependence on the inverse accuracy and avoid the exponential dependence on the phase-space dimension suffered by classical grid based Hamiltonian-preserving schemes, up to the cost of implementing the oracles and the postselection overhead. We also describe the postselected recovery of the physical solution state and the quantum readout of macroscopic observables such as density and averaged velocity through overlap estimation. Numerical experiments based on classical simulation of the Schrödingerized dynamics validate the proposed formulation and illustrate the correct transmission/reflection behavior at potential barriers.

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23.

medRxiv (Medicine) 2026-06-15 DOI: HASH:43959628b96f9aefe23ac94ed0b82689

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

作者:

Tan↗Parekh↗Wickramaratne↗S. D↗

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

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24.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2505.20030

Multiple Descents in Deep Learning as a Sequence of Order-Chaos Transitions in LSTM Networks

作者:

Wenbo Wei↗Fan Xu↗Nicholas Chong Jia Le↗Choy Heng Lai↗Ling Feng↗

arXiv:2505.20030v2 Announce Type: replace-cross Abstract: We observe a novel `multiple-descent' phenomenon during the learning process of a recurrent neural network called long-short-term memory (LSTM) networks during its training on real-world task, in which the performance goes through long cycles of up and down trends multiple times after the model is overtrained. By carrying out asymptotic stability analysis of the models, we found that the cycles in performance – indicated by loss function in test data – are closely associated with the phase transition process between order and chaos of the model, and the local optimal training step are consistently at the critical transition point between the two phases. More importantly, the most optimal point of the model usually occurs at the first transition from order to chaos, where the `width' of the `edge of chaos' is often the widest, allowing the best exploration of weight configurations for learning.

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25.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2606.14463

EM-NeSy: Expectation Maximization for Neurosymbolic Learning

作者:

Annegret Seibt↗Luc De Raedt↗Giuseppe Marra↗

arXiv:2606.14463v1 Announce Type: new Abstract: Neurosymbolic (NeSy) models integrate neural networks and symbolic reasoning for robust and interpretable AI. State-of-the-art NeSy models require that the symbolic component is expressed in a differentiable way, often complicating the use of approximate inference. We propose EM-NeSy which casts probabilistic NeSy learning as an instance of the Expectation-Maximization (EM) algorithm. In the expectation step, we compute the posterior over the neurally predicted symbols conditioned on the label via probabilistic inference. In the maximization step, we update the neural parameters based on this posterior using gradient descent only through the neural component. This formulation unlocks the full potential of the EM algorithm for NeSy learning. It allows NeSy to extend naturally to approximate reasoning without any additional modifications or differentiability requirements of the symbolic component. Furthermore, it recovers the standard end-to-end gradient-based NeSy setting under exact inference. Our experimental results demonstrate the scalability and computational efficiency of EM-NeSy.

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