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01.
medRxiv (Medicine) 2026-06-16

A MULTICENTER SWEDISH HISTOPATHOLOGY IMAGE DATASET OF PEDIATRIC CENTRAL NERVOUS SYSTEM TUMORS

Authors:
NYMAN↗Tampu↗I. E↗Shamikh↗Prochazka↗Blystad↗Basmaci↗Diaz de Stahl↗Augustsson↗Zielinska-Chomej↗Cao↗von Salome↗…

Refined detection methods, more detailed tumor characterization, and adequate distinction between different pediatric tumor subtypes are necessary to improve diagnosis and treatment, enable precision medicine, and advance patient prognosis. However, the application of computational approaches to pediatric brain tumors remains limited, largely due to the lack of accessible datasets. To address part of this gap, we provide whole slide images (WSIs) of hematoxylin and eosin (H&E)-stained tissue sections from all pediatric central nervous system (CNS) samples collected in Sweden between 2013 and 2023. These data represent a population-based national cohort encompassing all six pediatric oncology centers in Sweden and are available through the Swedish Childhood Tumor Biobank (BTB). The dataset includes 1,446 WSIs of sufficient image quality with confirmed CNS tumor diagnoses, derived from 537 unique subjects (562 cases). In addition, diagnosticrelevant clinical information is included. Corresponding whole-genome sequencing (WGS), wholetranscriptome sequencing (WTS), and methylation array data are available for most tumor samples through separate resources. This H&E dataset has been specifically curated to support artificial intelligence-based analyses, while also serving broader applications in medical research and education. When combined with matched molecular data, it provides a valuable resource for advancing multimodal and precision diagnostic approaches in the pediatric population. Refined detection methods, more detailed tumor mapping and adequate distinction between different subtypes of pediatric tumors are necessary to improve treatment, enable precision medicine and improve patient prognosis. Application of computational algorithms for pediatric brain tumors is very limited mainly due to the unavailability of pediatric histology brain tumor data sets. To enable the development of AI models comprehensive datasets covering a wide range of pediatric brain tumors are needed.

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02.
arXiv (CS.AI) 2026-06-16

Looking Is Not Picking: An Attention-Segment Account of Tool-Selection Failures in LLM Agents

Authors:
Shiyang Chen↗

arXiv:2606.16364v1 Announce Type: new Abstract: LLM agents mis-call tools, and the natural guess is that the model failed to see the right tool in a crowded harness. We show the opposite through a lens concurrent work sets aside – the model's attention to labeled tool-definition segments. On real BFCL failures, by per-candidate attention argmax the model attends most to the correct tool 80% of the time (vs. 21% chance), and the gold is the under-attended segment on only 10%: it looks at the right tool and still picks wrong. This directly refutes the intuitive "crowded-harness / lost-in-the-middle" explanation: the failure is at the decision readout, not the harness, and we pin it there three ways. (1) Input vs. readout: repairing the prompt (reordering or duplicating the gold tool) recovers

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03.
bioRxiv (Bioinfo) 2026-06-18

Deciphering shared and divergent tissue architectures from cross-species spatial transcriptomics

Authors:
Zhang↗Zhou↗

The integration of spatial transcriptomics (ST) data across species is essential for cross-species and translational studies, but remains challenging due to molecular divergence and anatomical differences between organisms. We present STACAME, a graph attention autoencoder-based framework to decipher shared and divergent tissue architectures from cross-species ST data by explicitly modeling both orthologous and species-specific genes. STACAME aligns ST slices in a spatially aware manner, identifies homologous and species-specific domains, and enables a suite of downstream comparative analyses. We demonstrate its utility by integrating ST datasets from diverse tissues, including hippocampus, isocortex, embryo, breast, liver, and cerebellum, across multiple species such as human, macaque, marmoset, mouse, and zebrafish. STACAME supports cross-species spatial domain alignment, the detection of shared and divergent spatially variable genes, development alignment and comparison, and the 3D integration of tissue architecture. This flexible approach facilitates the translation of findings from model organisms to humans, providing a unified computational platform for cross-species spatial transcriptomics.

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04.
arXiv (CS.AI) 2026-06-24

Breaking the Filter Bubble: A Semantic Pareto-DQN Framework for Multi-Objective Recommendation

Authors:
Cl\'audio L\'ucio Do Val Lopes↗Lucca Machado da Silva↗Andr\'e de Oliveira Brand\~ao↗

arXiv:2606.24042v1 Announce Type: new Abstract: Recommender systems often induce filter bubbles and semantic homogenization by monolithically optimizing for immediate user engagement. Standard single-objective models, including traditional Deep Q-Networks, are ill-equipped to navigate the trade-offs between platform retention and critical societal values like information diversity and provider fairness. To address these limitations, we introduce a multi-objective reinforcement learning framework that formalizes recommendation as a semantic multi-objective Markov decision process. By integrating high-fidelity semantic embeddings with a Pareto-DQN agent, our architecture treats engagement, diversity, and fairness as distinct, non-aggregable reward signals, avoiding the pitfalls of static reward scalarization. Empirical evaluations on the MovieLens small dataset shows that our hypervolume based action selection disrupts the feedback loops responsible for semantic collapse. By sustaining high state-trajectory variance, the Pareto-DQN effectively maps the Pareto frontier, achieving gains in auxiliary societal objectives with only marginal impacts on engagement. This work provides a path toward intrinsically aligned, responsible recommender systems.

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05.
arXiv (CS.LG) 2026-06-16

Spectral Adaptive Conformal Prediction for Structured Non-Exchangeable Data

Authors:
Jeffery Opoku↗David Banahene↗

arXiv:2606.15950v1 Announce Type: cross Abstract: Conformal prediction gives prediction intervals with finite-sample coverage when the data are exchangeable. Many time-indexed datasets are not exchangeable. They have seasons, recurring regimes, changing frequencies, or other forms of structured dependence. This paper studies a simple way to use that structure. We propose spectral adaptive conformal prediction, a method that forms weighted conformal quantiles using local spectral similarity and then updates the target miscoverage level online. The spectral weights choose calibration residuals that look relevant to the current test point. The adaptive update corrects the long-run miss rate when uncertainty changes over time. We give an approximate coverage result for the fixed spectral weighted quantile and a deterministic long-run calibration result for the adaptive update. Simulations with recurring regimes and slowly changing frequencies, together with three U.S. real-data examples, show that the hybrid method can improve on fixed spectral weighting, while also showing that spectral weighting must be monitored through effective sample size diagnostics.

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

Universal Manipulation Exoskeleton: Learning Compliant Whole-body Policies with Real-time Torque Feedback

Authors:
Litian Liang↗Jingxi Xu↗Xinda Qi↗Yujun Cai↗Houzhu Ding↗Luqi Wang↗Zhixin Sun↗Jyh-Herng Chow↗Ming Yang↗Mark Cutkosky↗

arXiv:2606.14218v1 Announce Type: cross Abstract: For robots to work safely in household environments, they need to be compliant and react to torque and force feedback during contact. However, the majority of existing data collection pipelines still lack the ability to capture force and torque data for learning active compliant policies. In this paper, we present Universal Manipulation Exoskeleton (UME), an upper-limb exoskeleton that provides real-time haptic torque feedback while recording whole-arm configurations and joint torque signals for teleoperation. With transparent torque feedback, human operators can even unsheathe kinematically constrained objects while blindfolded. UME is low-cost, lightweight, and portable. Equipped with an embedded IMU, it enables teleoperation for mobile manipulation. With our proposed universal retargeting algorithm, UME can teleoperate a range of robots, including the 7DoF OpenArm, 7DoF Franka, and 6DoF X-ARM. We demonstrate that this combination of capabilities enables learning bimanual, whole-body, and active compliant policies that operate effectively in highly constrained spaces. The learned robust autonomous policies achieve high success rates across a variety of tasks, including long-horizon mobile manipulation, force-mediated box flipping, visually occluded box pushing, and space-constrained tabletop manipulation. Videos, code, and additional information can be found at https://ume-exo.github.io.

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07.
arXiv (quant-ph) 2026-06-16

Entanglement as a Witness of Quantum Coherence: A Bipartite Monty-Hall Protocol

Authors:
Jorge Meza-Dom\'inguez↗

arXiv:2604.25953v3 Announce Type: replace Abstract: We present a bipartite protocol inspired by the Monty Hall puzzle that operationally distinguishes quantum coherence from classical ignorance. A principal qutrit is entangled with an ancillary qutrit via a controlled unitary, preparing $|\Psi\rangle = \frac{1}{\sqrt{3}}(|A,0\rangle + |B,1\rangle + |C,2\rangle)$. A rank-1 projective discard then eliminates one basis state, leaving a coherent superposition of the two remaining states. Finally, the ancilla and qutrit are measured, yielding joint probabilities that encode the interplay between superposition and measurement back-action. We show that the conditional probability $P(B|anc=0)$ takes the value $1/4$ in both quantum mechanics and the classical ignorant-host model, making it unsuitable as a witness. The true quantum-classical separation emerges in conditional joint probabilities that correlate ancilla outcomes with specific discard operations. We define witnesses $\mathcal{W}_{i,j} = P(anc=i, qutrit=j \mid discard k)$ where $j$ differs from the ancilla-implied state. Quantum mechanics predicts $\mathcal{W} = 1/4$, while any classical epistemic model with perfect initial correlations yields $\mathcal{W} = 0$. We provide the explicit $9 \times 9$ unitary matrix, a complete analysis of all measurement outcomes, and a detailed proof of the violation. The witness is fully immune to white noise and robust against moderate dephasing. The protocol requires only a single pair of entangled qutrits and sequential measurements – no spatial separation, no multiple copies, and no complex sets of incompatible observables. This makes it suitable for advanced undergraduate laboratories and provides a pedagogically accessible test of the ontic-epistemic distinction in quantum foundations.

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08.
bioRxiv (Bioinfo) 2026-06-13

MoE-Bind: Guiding De Novo Protein Binder Generation with Sparse Experts

Authors:
Sarkar↗

De novo protein binder design has been dominated by structure-based pipelines that require known three-dimensional target conformations and consume substantial compute and generation time per design, limiting their throughput and accessibility for routine large-scale binder exploration. Sequence-only generative models promise a faster and lighter alternative, yet existing systems remain uniformly dense and frequently reintroduce structural computation at inference, undermining the core advantages they were intended to deliver. Across the broader language modelling community, transformers have meanwhile transitioned from fully dense designs to sparse Mixture-of-Experts architectures that decouple capacity from per-token compute, a shift that has yet to reach sequence-only protein binder generation. We present MoE-Bind, an autoregressive protein binder generator that, for the first time in this domain, combines Multi-head Latent Attention with a sparse Mixture-of-Experts feed-forward network and is evaluated under two independent structure predictors, Boltz-2 and AlphaFold2-Multimer. Despite activating less than half the per-token parameters of compute-matched dense baselines, MoE-Bind matches or exceeds them on full-length receptor-conditioned binder generation on a leakage-free Docking Benchmark 5.0 evaluation, transfers without peptide-specific training to short-peptide design, and reduces training and inference compute by a large margin. Routing analysis on generated binders reveals interpretable expert specialization at both the individual amino acid and biochemical group level, a structured expert-token alignment not previously reported for natural-language MoE models. These results show that sparse architectural design, rather than scale, can deliver fast, structure-free, and interpretable protein binder generation.

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

A2D2: Fine-Tuning Any-Length Discrete Diffusion for Adaptive Decoding

Authors:
Sophia Tang↗Yuchen Zhu↗Molei Tao↗Pranam Chatterjee↗

arXiv:2606.13565v1 Announce Type: new Abstract: Discrete diffusion models offer a simple and stable likelihood-based framework for sequence generation, recently extended to any-length settings via token insertion. Principled reward-guided fine-tuning for any-length discrete diffusion, however, remains largely unexplored. We introduce Fine-Tuning Any-Length Discrete Diffusion for Adaptive Decoding (A2D2), a unified framework for reward-guided fine-tuning of any-length discrete diffusion models via joint optimization of the insertion and unmasking policies together with a quality-based inference schedule. We derive the Radon-Nikodym derivative for the joint insertion-unmasking path measures, enabling theoretically guaranteed convergence to the intractable reward-tilted sequence distribution without requiring target samples. Building on this, we establish unmasking and insertion quality as tractable approaches for minimizing decoding error and introduce the Adaptive Joint Decoding (AJD) loss, which provably yields the optimal path measure that generates the reward-tilted distribution. Empirically, A2D2 improves reward optimization while enhancing generation flexibility and accuracy over prior fixed-length fine-tuning and inference-time guidance methods.

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10.
arXiv (CS.CL) 2026-06-17

Fine-tuning LLMs for Passive Depression Severity Estimation from AI Mental Health Dialogue

Authors:
Olivier Tieleman↗Ziyi Zhu↗Ting Su↗Samuel J. Bell↗Thomas D. Hull↗Caitlin A. Stamatis↗

Depression is the leading cause of disability worldwide, and early detection of symptom change is essential for timely intervention. Validated instruments such as the Patient Health Questionnaire-9 (PHQ-9) support symptom monitoring at scale, but real-world completion rates are low, introducing response bias and systematic missingness. Passive approaches that infer severity from routinely generated data could close this gap. We address this by predicting PHQ-9 total scores directly from transcripts of conversations between users and an AI mental health application, requiring only conversation text and no additional clinical data. We fine-tune a Qwen3.5-27B backbone with a regression head, augment 3,111 ground-truth labels with pseudolabels generated by a reasoning model (Claude Opus) and iteratively trained intermediate models, for a combined dataset of 6,283 users. On a held-out test set of 842 users, our best model achieves MAE = 2.6, RMSE = 4.0, Pearson r = 0.80, and AUC = 0.91 at the PHQ-9 >= 10 clinical threshold. We also find AUC > 0.87 at every severity threshold from PHQ-9 >= 3 to PHQ-9 >= 24, demonstrating that the model captures depression severity across the full clinical spectrum. This work opens the door to passive, continuous symptom monitoring in AI mental health platforms, without requiring users to complete self-report measures.

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12.
arXiv (CS.LG) 2026-06-12

Interpretable Factor Decomposition for Decision Intelligence in Large-Scale Financial Markets: Evidence from China's A-Share Market

Authors:
Xiao Han↗Yao Xiao↗Zhen Zhang↗Moxuan Zheng↗

arXiv:2606.12843v1 Announce Type: new Abstract: We present an interpretable machine learning pipeline to decompose Cross-Sectional Equity Return Predictability into auditable factor contribution. We apply an XGBoost model with TreeSHAP attribution and conduct stress testing on 3632 Chinese A-share stocks from 2009 until 2019. Using 60-month, rolling windows over 55 months of out-of-sample data, XGBoost obtains a mean AUC of 0.547 and +2.38%/month (Newey-West t = 5.94; Annualized Sharpe 2.23) long-short spread for the top vs bottom quintiles. This alpha is persistent after adjusting for the Carhart four-factor model (+2.31%/month; t = 7.48). SHAP Decomposition indicates that behavioral signals (turnover and momentum) account for 58.2% of predictive attribution compared to 10.7% for valuation ratios, on average, across 55 industry groups. Ablation analysis serves to cross-validate this ranking and provides evidence that SHAP and ablation diverge in a manner that highlights feature substitutability structure that is largely invisible to either method used in isolation.

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13.
arXiv (CS.CL) 2026-06-19

A Layered Security Framework Against Prompt Injection in RAG-Based Chatbots

Authors:
Gulshan Saleem↗Nisar Ahmed↗Muhammad Imran Zaman↗Ali Hassan↗

Prompt injection is ranked as the most critical vulnerability in large language model (LLM) deployments by the OWASP Top 10 for LLM Applications, yet existing defenses operate at isolated pipeline stages and remain incomplete. Input filters cannot inspect retrieved documents, while output monitors cannot prevent malicious payloads from reaching the model. Consequently, retrieval-augmented generation (RAG) chatbots remain vulnerable to indirect injection, where a poisoned knowledge-base document compromises every user whose query retrieves it. We present a three-layer framework that intercepts both direct and indirect prompt injection throughout the inference pipeline. Layer 1 screens user input using a rule-based pattern library and a fine-tuned semantic anomaly classifier. Layer 2 enforces a provenance-based instruction hierarchy during context assembly, preventing retrieved content from overriding operator policy. Layer 3 audits model output using a policy rule engine and semantic drift detector before delivery. A continuous audit loop aggregates structured logs and supports retraining to adapt the classifier to emerging attack patterns. The framework is model-agnostic and deploys as middleware without modifying the underlying LLM. Evaluation on 5,080 samples across GPT-4o, Llama 3, and Mistral 7B shows that the framework reduces Attack Success Rate (ASR) from 71.4\% to 11.3\%, outperforming the best single-layer baseline by 27.3 percentage points and a published guardrail system by 23.8 percentage points, while maintaining a 4.8\% false positive rate and a median latency overhead of 61.2 ms. Ablation studies confirm that all three layers provide complementary protection and that their combined effect exceeds the sum of individual contributions.

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15.
arXiv (CS.CV) 2026-06-17

GOT-JEPA: Generic Object Tracking with Model Adaptation and Occlusion Handling using Joint-Embedding Predictive Architecture

Authors:
Shih-Fang Chen↗Jun-Cheng Chen↗I-Hong Jhuo↗Yen-Yu Lin↗

The human visual system tracks objects by integrating current observations with previously observed information, adapting to target and scene changes, and reasoning about occlusion at fine granularity. In contrast, recent generic object trackers are often optimized for training targets, which limits robustness and generalization in unseen scenarios, and their occlusion reasoning remains coarse, lacking detailed modeling of occlusion patterns. To address these limitations in generalization and occlusion perception, we propose GOT-JEPA, a model-predictive pretraining framework that extends JEPA from predicting image features to predicting tracking models. Given identical historical information, a teacher predictor generates pseudo-tracking models from a clean current frame, and a student predictor learns to predict the same pseudo-tracking models from a corrupted version of the current frame. This design provides stable pseudo supervision and explicitly trains the predictor to produce reliable tracking models under occlusions, distractors, and other adverse observations, improving generalization to dynamic environments. Building on GOT-JEPA, we further propose OccuSolver to enhance occlusion perception for object tracking. OccuSolver adapts a point-centric point tracker for object-aware visibility estimation and detailed occlusion-pattern capture. Conditioned on object priors iteratively generated by the tracker, OccuSolver incrementally refines visibility states, strengthens occlusion handling, and produces higher-quality reference labels that progressively improve subsequent model predictions. Extensive evaluations on seven benchmarks show that our method effectively enhances tracker generalization and robustness.

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

Appearance-Invariant Detection of Suggestive Motion via Laban Movement Descriptors

Authors:
Jaehoon Ahn↗Jeonghan Kong↗Moon-Ryul Jung↗

Content moderation in online multiplayer 3D virtual environments is increasingly automated, yet detection has focused on images, video, and audio, leaving suggestive motion a blind spot. We present a motion-only classification pipeline that detects suggestive and explicit movement from SMPL skeleton trajectories using Laban Movement Analysis (LMA) descriptors. On a dataset spanning everyday, artistic, suggestive, and explicit movement (17+ hours of video), a logistic regression trained on 61-feature LMA descriptors reaches 68% binary SFW/NSFW accuracy (70% random forest) under a leak-free evaluation protocol. At this level, our descriptor performs comparably to a learned video model trained on the same motion re-rendered as appearance-free video, a gray figure with no clothing, skin, or scene. The indirectness (tortuosity) of each joint's trajectory, measured as the ratio of the joint's path length to its net displacement, peaks at the suggestive tier, showing that the Direct-to-Indirect polarity of Laban's Space factor provides an interpretable marker of the shift from functional to suggestive motion. Ultimately, Laban-based kinematic descriptors offer a lightweight, interpretable approach to suggestive-motion detection: every decision decomposes into named, theory-grounded features. Because the classifier operates on pose trajectories alone, moderation can run directly on avatar poses in virtual environments, with no appearance data.

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

Configurable Holography: Towards Display and Scene Adaptation

Authors:
Yicheng Zhan↗Liang Shi↗Wojciech Matusik↗Qi Sun↗Kaan Ak\c{s}it↗

Rendering holograms for holographic displays is often an iterative and computationally costly process. Emerging learned holography methods have alleviated this bottleneck by enabling fast hologram rendering with improved reconstruction quality. However, existing methods still depend on fixed display hardware and scene parameters, requiring retraining for each new configuration. This limits rapid adaptation to different visual needs, including scene brightness, user focus preference, and hardware compatibility. We introduce Configurable Holography, a learned CGH framework in which a single model adapts to diverse display-scene parameters through explicit conditioning, eliminating the need for retraining. As a prototype, we present a configurable structure and derive a family of models that continuously adapt to propagation distance, volume depth, peak brightness, pixel pitch, and wavelength. To further improve efficiency, we incorporate auxiliary monocular depth estimation for depth-aware 3D hologram synthesis from RGB-only inputs and apply knowledge distillation for interactive inference. Our extensive simulation and hardware experiments on three holographic display prototypes with different combinations of configurations show on-par reconstruction quality with existing methods, offering up to 2x speed-up in fp32. Our work represents an initial step toward flexible, general-purpose learned holography systems that can seamlessly adapt across diverse hardware and user-specific visual requirements.

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

A homotopy-type-theoretic generalization of neurosymbolic inference

Authors:
Fernando Zhapa-Camacho↗Robert Hoehndorf↗

arXiv:2606.17851v1 Announce Type: new Abstract: A wide range of neurosymbolic (NeSy) systems compute one functional: a belief-weighted sum of a logical quantity over a space of $\sigma$-structures, of which weighted model counting, fuzzy logic, and probabilistic logic are special cases. This account is built on sets, and a set deliberately forgets two things that are important for NeSy: when two $\sigma$-structures are the same up to a symmetry of the theory, and how many distinct proofs witness a query. Replacing the underlying sets by types, in the sense of homotopy type theory, preserves this information, and turns this functional into a belief-weighted homotopy cardinality, a notion of size that counts each object in inverse proportion to its symmetries. We develop the framework from scratch for NeSy systems, prove a conservativity theorem that recovers the classical functional when symmetries are trivial, and show that the symmetry our framework exposes is exactly the one behind reasoning shortcuts. The payoff is concrete: the shortcut-aware concept posterior that recent methods reach by ensembling or expressive density estimation is the only symmetry-invariant point of the confusion-set simplex, computable in closed form by averaging a single model over the symmetry group. On MNIST reasoning-shortcut benchmarks this single-model wrapper is better calibrated than a diversity-trained ensemble, while leaving label accuracy and identifiable concepts untouched. Code is freely available at https://github.com/bio-ontology-research-group/hott-nesy.

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

MoReBench: Evaluating Procedural and Pluralistic Moral Reasoning in Language Models, More than Outcomes

Authors:
Yu Ying Chiu↗Michael S. Lee↗Rachel Calcott↗Brandon Handoko↗Paul de Font-Reaulx↗Rapha\"el Milli\`ere↗Paula Rodriguez↗Chen Bo Calvin Zhang↗Ziwen Han↗Udari Madhushani Sehwag↗Yash Maurya↗Christina Q Knight↗…

As AI systems progress, we rely more on them to make decisions with us and for us. To ensure that such decisions are aligned with human values, it is imperative for us to understand not only what decisions they make but also how they come to those decisions. Reasoning language models, which provide both final responses and (partially transparent) intermediate thinking traces, present a timely opportunity to study AI procedural reasoning. Unlike math and code problems which often have objectively correct answers, moral dilemmas are an excellent testbed for process-focused evaluation because they allow for multiple defensible conclusions. To do so, we present MoReBench: 1,000 moral scenarios, each paired with a set of rubric criteria that experts consider essential to include (or avoid) when reasoning about the scenarios. MoReBench contains over 23 thousand criteria including identifying moral considerations, weighing trade-offs, and giving actionable recommendations to cover cases on AI advising humans moral decisions as well as making moral decisions autonomously. Separately, we curate MoReBench-Theory: 150 examples to test whether AI can reason under five major frameworks in normative ethics. Our results show that scaling laws and existing benchmarks on math, code, and scientific reasoning tasks fail to predict models' abilities to perform moral reasoning. Models also show partiality towards specific moral frameworks (e.g., Benthamite Act Utilitarianism and Kantian Deontology), which might be side effects of popular training paradigms. Together, these benchmarks advance process-focused reasoning evaluation towards safer and more transparent AI.

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20.
arXiv (CS.AI) 2026-06-15

From Sorting Algorithms to Scalable Kernels: Bayesian Optimization in High-Dimensional Permutation Spaces

Authors:
Zikai Xie↗Linjiang Chen↗

arXiv:2507.13263v4 Announce Type: replace-cross Abstract: Bayesian Optimization (BO) is a powerful tool for black-box optimization, but its application to high-dimensional permutation spaces is severely limited by the challenge of defining scalable representations. The current state-of-the-art BO approach for permutation spaces relies on an exhaustive $\Omega(n^2)$ pairwise comparison, inducing a dense representation that is impractical for large-scale permutations. To break this barrier, we introduce a novel framework for generating efficient permutation representations via kernel functions derived from sorting algorithms. Within this framework, the Mallows kernel can be viewed as a special instance derived from enumeration sort. Further, we introduce the Merge Kernel , which leverages the divide-and-conquer structure of merge sort to produce a compact, $\Theta(n\log n)$ to achieve the lowest possible complexity with no information loss and effectively capture permutation structure. Our central thesis is that the Merge Kernel performs competitively with the Mallows kernel in low-dimensional settings, but significantly outperforms it in both optimization performance and computational efficiency as the dimension $n$ grows. Extensive evaluations on various permutation optimization benchmarks confirm our hypothesis, demonstrating that the Merge Kernel provides a scalable and more effective solution for Bayesian optimization in high-dimensional permutation spaces, thereby unlocking the potential for tackling previously intractable problems such as large-scale feature ordering and combinatorial neural architecture search.

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21.
bioRxiv (Bioinfo) 2026-06-23

Multi-Scale Machine Learning for Antibody-Antigen Binding Affinity Prediction Using Deep Mutational Scanning and Structural Features

Authors:
Sivasubramani↗

Predicting how mutations alter antibody-antigen binding affinity is essential for antibody engineering and vaccine design, yet current methods generalize poorly to unseen complexes. We present a multi-scale machine learning framework integrating 93 descriptors across four modalities: physicochemical, structural, ESM-2 protein language model, and solvent-accessible surface area (SASA)/{Delta}{Delta}G_fold features. Under leave-one-complex-out deep mutational scanning (LOCO-DMS) cross-validation on AbAgym (36,541 mutations, 68 experiments, 13 pathogens), gradient boosting achieved MCC = 0.206; a confidence-stratified ensemble reached MCC = 0.374 (83.5% accuracy, 25.5% coverage). No single modality exceeds the majority baseline alone; only multi-scale fusion succeeds. Boltzmann ceiling analysis shows 45.9% of mutations are near-neutral (|{Delta}{Delta}G| < k_BT), bounding theoretical maximum MCC at 0.473; our method achieves 79.1% of this limit. Five deep learning architectures benchmarked under LOCO-DMS showed self-attention matching gradient boosting (MCC = 0.200). Cross-pathogen transfer failed systematically (mean 46.7%), confirming universal binding predictors remain an open challenge.

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

Learning Interface Breakup: A Geometry-Conditioned Latent Surrogate for Spray Formation

Authors:
Julius H Ramlau↗Friedrich Hastedt↗Tolga Birdal↗Ehecatl-Antonio del R\'io Chanona↗Nausheen S Basha↗Omar K Matar↗

arXiv:2606.16587v1 Announce Type: cross Abstract: Designing spray nozzles requires predicting how geometry shapes transient two-phase breakup, but high-fidelity volume-of-fluid (VOF) simulations with adaptive mesh refinement (AMR) are too expensive for iterative design exploration. Standard surrogate models are also challenged by this setting because both the liquid–gas interface and the underlying adaptive discretization evolve across time and geometries. We introduce a geometry-conditioned latent surrogate trained on 797 two-phase nozzle simulations that addresses this by encoding the AMR cell-density field, rather than the full multi-channel flow state, as a compact proxy for where the solver concentrates resolution. From this representation, the model reconstructs transient density evolution and nozzle geometry, and a lightweight second stage recovers the remaining flow variables. On held-out simulations, the method accurately captures key interface dynamics while reducing inference time to 0.045 seconds per trajectory, corresponding to a speed-up of more than $6\times10^4$ relative to Basilisk CFD. These results suggest that AMR refinement structure can serve as a compact and learnable representation for geometry-conditioned surrogate modeling of transient two-phase flows.

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23.
arXiv (CS.CL) 2026-06-16

CoBit: Language Modeling with Bitstream Diffusion

Authors:
Georgios Batzolis↗Mark Girolami↗Luca Ambrogioni↗

Diffusion language models (DLMs) promise parallel, order-agnostic generation, but on standard benchmarks they have historically lagged behind autoregressive models in sample quality and diversity. Recent continuous flow and diffusion approaches have narrowed this gap. In this work, we further close the autoregressive gap by modeling text as a continuous diffusion process over fixed-width binary bitstreams. We refer to the resulting model as CoBit (Continuous Bitstream Diffusion). Our approach represents semantic tokens as analog bit sequences and uses a matched-filter residual parameterization to isolate contextual learning from analytic independent-bit posteriors. Crucially, we adopt a stochastic sampler that applies Langevin-type corrections gated by the entropy-rate profile, concentrating stochasticity in high-information regions while remaining nearly deterministic elsewhere. On LM1B, our 130M-parameter model reaches a generative perplexity (GenPPL) of 59.76 at matched real-data entropy (4.31) using 256 neural function evaluations (NFEs), outperforming prior DLM baselines and reaching the autoregressive reference. On OpenWebText (OWT), our sampler establishes a new continuous-DLM Pareto frontier, achieving GenPPL 27.06 at entropy 5.26 using 4x fewer steps than previous 1024-NFE baselines. Scaling the same recipe to a 462M-parameter model (CoBit-M) further improves the OWT GenPPL-entropy frontier over the 130M model (CoBit-S) and over medium-scale continuous and discrete DLM baselines, reaching GenPPL 19.5 at entropy 5.40, near real-data entropy (5.44), and approaching pretrained GPT-2 Medium over the high-quality region. As an additional benefit, bitstream diffusion removes the O(V) vocabulary scaling bottleneck of standard DLMs: by predicting O(log V) bitwise logits via semantic bit-patching, it lowers memory and raises throughput, a scalable paradigm as vocabulary sizes grow.

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24.
arXiv (CS.AI) 2026-06-19

IHBench: Evaluating Post-Interruption Recovery in Voice Agents with Structured Workflows

Authors:
Ahmad Salimi↗Wentao Ma↗Yuzhi Tang↗Dongming Shen↗Mu Li↗Alex Smola↗

arXiv:2606.19595v1 Announce Type: cross Abstract: Voice agents deployed in structured workflows (customer service, healthcare scheduling, account management) must handle frequent user interruptions while maintaining progress through multi-step procedures. Existing benchmarks for speech-capable models focus on the timing of interruptions: barge-in detection, endpointing, and turn-taking dynamics. They leave unmeasured what happens after the interruption: does the agent resume the workflow at the correct step? Does it address the user's interjection? Does it avoid re-delivering content the user already heard? We introduce IHBench (Interruption Handling Benchmark), a benchmark that evaluates post-interruption recovery in voice agents executing state-machine-driven workflows across 10 enterprise domains. Six interruption types are injected at controlled points mid-utterance, with per-interruption evaluation rubrics generated alongside the data. Each interruption is scored on two axes: task fulfillment and recovery quality. We evaluate 27 audio-language model configurations from OpenAI, Google, and the open-weight community. Models vary widely, and recovery quality depends strongly on the interruption type. Across our experiments, closed-weight models are consistently more robust to interruptions than open-weight ones: they win far more often on task fulfillment, degrade roughly 3.3x more slowly as conversations grow longer, and show no audio-versus-text modality gap, whereas the open-weight models lose ground on all three. A human study validates the LLM judge against human annotators, and a cross-benchmark analysis against AudioMultiChallenge indicates that recovery quality is a largely distinct capability axis.

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25.
arXiv (CS.LG) 2026-06-19

Agentic Symbolic Search: Characterizing PDEs Beyond Hand-crafted Expressions, Meshes, and Neural Networks

Authors:
Zongmin Yu↗Liu Yang↗

arXiv:2606.20467v1 Announce Type: new Abstract: Mathematicians understand a PDE solution through mathematical structures rather than tables of computed values. Historically, this has been the product of mathematical analysis, carried out by hand for each problem individually. Neither numerical simulation nor neural networks produce those structures directly. We propose Agentic Symbolic Search (ASYS), a prior-guided framework in which an agent translates PDE theory, public problem constraints, and accumulated search experience into testable differentiable symbolic programs. The mathematical forms are refined under evolutionary search, while their continuous parameters are fit by gradient-based optimization. This makes the search an automated form of inductive-bias injection rather than blind symbolic regression. For problems with known analytical forms, ASYS recovers these forms naturally; for other problems, ASYS constructs analytical approximations which can guide mathematicians toward further analysis. In our experiments, across five problems spanning bounded dynamics, finite-time blow-up, and free-boundary focusing, ASYS produces interpretable representations, including a geometric interface formula for Allen-Cahn 2D dynamics and a nine-parameter contraction law for Keller-Segel chemotactic blow-up, in settings where no closed-form description was previously available. ASYS shows the possibility of a new paradigm for characterizing PDE solutions, beyond handcrafted analytical solutions, mesh-based numerical solutions, and neural network approximations.

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