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01.
arXiv (CS.AI) 2026-06-11

FreeBridge: Variational Schrödinger Bridges for Cellular Transition Dynamics

arXiv:2606.11286v1 Announce Type: cross Abstract: High-content imaging assays quantify cellular responses to chemical and genetic perturbations, yet continuous trajectories of individual cells are unobservable because cells are chemically fixed at acquisition. Perturbation modeling therefore reduces to inferring stochastic transport between control and treated populations observed only as separate marginals. While recent generative models achieve strong end-point alignment, boundary consistency does not determine intermediate evolution: multiple stochastic processes may connect identical marginals while traversing regions unsupported by observed single-cell morphologies. We introduce FreeBridge, a Schrödinger Bridge formulation for single-cell transition modeling under endpoint-only supervision. FreeBridge defines atomic states as instance-segmented single-cell representations, establishing a fixed cellular manifold, and learns stochastic transport constrained within this geometry via empirical latent support regularization. Across BBBC021, RxRx1, and JUMP, FreeBridge maintains competitive or improved endpoint fidelity and mechanism-of-action retention under a unified evaluation protocol; on BBBC021, it further reduces intermediate support violations. These findings highlight the importance of geometric grounding for biologically interpretable perturbation dynamics. Project page: https://y-research-sbu.github.io/FreeBridge/.

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

Early Diagnosis of Wasted Computation in Multi-Agent LLM Systems via Failure-Aware Observability

arXiv:2606.01365v2 Announce Type: replace Abstract: Failure-aware observability diagnoses wasted computation in multi-agent LLM systems before final-answer evaluation can explain what went wrong. We propose a trace-based framework for a three-agent architecture – orchestrator, search agent, and execution agent – that converts structured events into online signals for loops, budget pressure, low information gain, and tool instability, then adds offline semantic grounding metrics and selective LLM-as-judge evaluation. On 165 GAIA validation traces under identical caps, 98 runs produce usable final answers and 67 fail or stop without one. Among warned failed runs, 58.1% of tokens are spent after the first warning on average, indicating substantial opportunity for intervention. A 10-task Level-2 pilot uses warnings to diversify search or require evidence, reducing post-warning token fraction from 0.638 in the baseline to 0.304. The results support a layered design: cheap online signals help the orchestrator redirect or halt redundant behavior, while deeper semantic checks identify whether completed answers are grounded enough to trust.

03.
arXiv (CS.CL) 2026-06-24

Rule2Text: A Framework for Generating and Evaluating Natural Language Explanations of Knowledge Graph Rules

Knowledge graphs (KGs) can be enhanced through rule mining; however, the resulting logical rules are often difficult for humans to interpret due to their inherent complexity and the idiosyncratic labeling conventions of individual KGs. This work presents Rule2Text, a comprehensive framework that leverages large language models (LLMs) to generate natural language explanations for mined logical rules, thereby improving KG accessibility and usability. We conduct extensive experiments using multiple datasets, including Freebase variants (FB-CVT-REV, FB+CVT-REV, and FB15k-237) as well as the ogbl-biokg dataset, with rules mined using AMIE 3.5.1. We systematically evaluate several LLMs across a comprehensive range of prompting strategies, including zero-shot, few-shot, variable type incorporation, and Chain-of-Thought reasoning. To systematically assess models' performance, we conduct a human evaluation of generated explanations on correctness and clarity. To address evaluation scalability, we develop and validate an LLM-as-a-judge framework that demonstrates strong agreement with human evaluators. Leveraging the best-performing model (Gemini 2.0 Flash), LLM judge, and human-in-the-loop feedback, we construct high-quality ground truth datasets, which we use to fine-tune the open-source Zephyr model. Our results demonstrate significant improvements in explanation quality after fine-tuning, with particularly strong gains in the domain-specific dataset. Additionally, we integrate a type inference module to support KGs lacking explicit type information. All code and data are publicly available at https://github.com/idirlab/KGRule2NL.

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

How to Score Experts for One-Shot MoE Expert Pruning: A Unified Formulation and Selection Principle

arXiv:2606.15716v1 Announce Type: new Abstract: Mixture-of-Experts (MoE) language models reduce per-token computation through sparse expert activation, yet deployment still requires storing the full expert pool, making one-shot expert pruning a practical approach for reducing memory usage. Although effective, existing criteria are largely heuristic, and no single criterion is universally optimal. Thus, establishing a principle for selecting pruning criteria suited to different deployment objectives remains an important yet largely underexplored problem in one-shot expert pruning. To this end, we introduce a unified formulation for one-shot MoE expert pruning organized around three factors: routing frequency, gate weighting, and activation strength. The formulation yields a criteria selection principle: task-agnostic pruning should favor routed-token-averaged, gate-free activation-based criteria, whereas task-specific pruning can benefit from retaining routing-frequency and gate-weight information. Beyond this principle, the formulation also provides a systematic view of existing heuristic criteria and gives rise to two new task-agnostic criteria, Mean Activation Norm (MAN) and Mean Squared Activation Norm (MSAN). Across four representative MoE models and 16 diverse benchmarks, MAN and MSAN are consistently strong in the task-agnostic setting, obtain the top-two average ranks, and improve average performance by up to 8.8 points over the strongest baseline.

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

pFedUL: Layer-Aware Federated Unlearning for Personalized Federated Learning

arXiv:2606.16304v1 Announce Type: new Abstract: Federated unlearning (FU) enables the removal of specific data contributions from federated learning (FL) models to comply with regulations such as the General Data Protection Regulation (GDPR). However, most existing FU methods are designed for the FedAvg paradigm, where all clients share a single global model. In practice, personalized federated learning (pFL) methods such as FedPer, FedRep, Ditto, and FedBN have become widely adopted due to their superior handling of non-IID data. These methods decompose the model into shared global layers and client-specific personalized layers, fundamentally altering the semantics of unlearning, yet this setting has received little attention. We formalize FU under the pFL paradigm, identifying a tension between unlearning completeness on shared layers and personalization preservation for remaining clients. We then propose pFedUL, a layer-aware selective unlearning framework comprising three components: (1) gradient-based layer-wise contribution attribution that separately quantifies the target client's influence on shared and personalized parameters, (2) adaptive selective unlearning that applies differentiated forgetting strategies across layer types, and (3) a lightweight recalibration protocol enabling remaining clients to restore personalization with minimal overhead. We further introduce two new metrics, Personalization Preservation Score (PPS) and Cross-client Fairness Index (CFI), to evaluate pFL-specific unlearning quality. Experiments on CIFAR-10, CIFAR-100, and FEMNIST under varying non-IID settings indicate that pFedUL achieves unlearning effectiveness comparable to full retraining while maintaining an average of 97.3\% personalized accuracy for remaining clients. Compared with six state-of-the-art FU methods adapted to the pFL setting, pFedUL consistently achieves superior personalization preservation.

06.
medRxiv (Medicine) 2026-06-19

Reassessing Instrument Strength in Two-Sample Mendelian Randomization Analysis

Mendelian randomization (MR) analysis is widely used to estimate causal relationships between risk factors and outcomes of interest. Two-sample MR approaches have gained increasing attention in genetic epidemiology due to the growing availability of Genome-Wide Association Study (GWAS) summary statistics from public databases. A critical step in two-sample MR is the selection of genetic variants as instrumental variables (IVs). Although genome-wide significant variants are typically preferred, the inclusion of variants with weaker association p-values is considered, as they may potentially improve power through an increased instrument number of instruments, while they may introduce weak instrument bias and attenuate effect estimates towards the null. Our simulation results show that even modest levels of pleiotropy substantially increase the variability of causal effect estimates, while the inclusion of weak IVs does not substantially affect the direction and variability of causal effect estimates in most cases. In real data analyses, we used two released versions of FinnGen GWAS summary statistics with different sample sizes as exposure GWASs to assess the influence of weak IVs. Here, the inclusion of IVs with higher exposure-association p-values resulted in weakened estimated effect sizes, particularly when the exposure GWAS sample size was small. These findings suggest that incorporating weak IVs is reasonable when the exposure GWAS sample size is large, but it poses a risk of falsely concluding null associations when the exposure GWAS sample size is small.

07.
arXiv (CS.LG) 2026-06-24

New Bounds for the Last Iterate of the Stochastic subGradient Method

arXiv:2606.24879v1 Announce Type: cross Abstract: We study the last iterate of the stochastic subgradient method for one-dimensional convex Lipschitz objectives. For a fixed horizon $n$, we consider the standard fixed stepsizes $\eta =\Theta(1/\sqrt n)$. We prove that, for such stepsize policies, under additive i.i.d. subgradient noise with uniformly bounded variance, the last iterate features an optimization error of order $1/\sqrt n$, thereby removing the extra $(\log n)$ factor present in existing generic bounds. On the other hand, we show that without the i.i.d. assumption, the optimization error can be of order $(\log n)/\sqrt n$. Thus, under the uniformly bounded variance assumption alone, the last iterate of SsGM is suboptimal even in dimension one, resolving negatively an open problem posed in Koren and Segal, COLT, 2020.

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

Architecture-Aware Reinforcement Learning Makes Sliding-Window Attention Competitive in Math Reasoning

arXiv:2606.11634v1 Announce Type: new Abstract: The rapid progress of reasoning and agentic large language models (LLMs) has increased the demand for long-context inference, but self-attention (SA) scales quadratically with context length. To address this, we study SWARR (Sliding-Window Attention with Reinforced Adaptation for Math Reasoning), a practical recipe for adapting SWA models to mathematical reasoning. SWARR has two stages: (1) efficient conversion from a pretrained SA model to SWA with supervised fine-tuning (SFT), which avoids pretraining a new base model, and (2) policy adaptation with reinforcement learning (RL). We find that SWA still underperforms SA after SFT, and we hypothesize that this gap is caused in part by a data-architecture mismatch: most SFT data are prepared for SA models and may contain long-range dependencies that are difficult for SWA to model. Because on-policy RL optimizes self-generated trajectories under the SWA constraint, it can adapt trajectories to better match SWA. Experiments on mathematical reasoning benchmarks show that this recipe substantially narrows the gap between SWA and SA, recovering much of the accuracy lost during SWA conversion while preserving the efficiency benefits of linear-complexity attention. Our central contribution is the empirical finding that RL changes the conclusion one would draw from conversion and SFT alone about SWA's viability for math reasoning.

09.
arXiv (CS.CV) 2026-06-19

FlowBender: Feedback-Aware Training for Self-Correcting Conditional Flows

Conditional diffusion and flow models routinely fail to satisfy the very constraints that define their task. For instance, a depth-conditioned model often produces images whose re-extracted depth disagrees with the input, even though the forward operator–the depth predictor defining the constraint–is available during both training and inference. Existing approaches generally fall into two categories: supervised models that treat the conditioning signal as a static cue and ignore alignment information at inference, and guidance-based methods that consult it through hand-tuned linear updates, typically trading fidelity to the condition against the plausibility of the generated sample. We argue that the fundamental gap in both paradigms is that the model is never trained to utilize its own alignment error. We introduce FlowBender, a closed-loop framework that treats this error as a first-class input, training the network to learn a correction policy conditioned on inference-time feedback. At each step, an unguided look-ahead pass estimates the clean signal, a task-specific deviation is computed via the forward operator, and a refinement pass consumes this signal to produce a corrected velocity. We propose several variants of FlowBender, including a gradient-based formulation for differentiable operators and a zero-order variant for non-differentiable settings such as JPEG compression. For efficient sampling, we introduce a prior-step shortcut that enables closed-loop correction at a minimal additional computational cost. Across image-to-image translation, restoration, and 3D mesh texturing, FlowBender consistently outperforms standard supervised baselines, alignment-loss-augmented training, and state-of-the-art inference-time guidance, improving fidelity and plausibility simultaneously rather than trading them against each other. Project page: https://flow-bender.github.io/

10.
arXiv (CS.CV) 2026-06-24

BioMedVR: Confusion-Aware Mixture-of-Prompt Experts for Biomedical Visual Reprogramming

Recent advances in vision-language models (VLMs) such as CLIP have demonstrated strong generalization across natural-image domains. However, adapting these models to biomedical imaging is non-trivial: full-model fine-tuning is computationally expensive, while medical data are often scarce and exhibit subtle, fine-grained inter-class differences, making parameter-efficient adaptation particularly critical. Visual Reprogramming (VR) offers a parameter-efficient alternative by injecting learnable perturbations into the input space, but existing VR approaches for VLMs mainly focus on positive class prompts and overlook confusing negatives, leading to miscalibrated predictions in fine-grained medical scenarios. We present BioMedVR, the first VR-based framework for biomedical imaging, enabling few-shot adaptation of pretrained VLMs through compact learnable VR modules. To mitigate class confusion, we introduce a Confusion Minimization Mechanism that leverages LLM-generated confusion-aware attributes together with a Confusion-Suppression Loss to explicitly reduce false-positive alignment. Moreover, the designed Mixture-of-Prompt Experts combines a positive expert for main-class discrimination and a negative expert for confusion suppression, balanced via adaptive gating. Extensive experiments on 18 datasets, including 11 biomedical datasets and 7 natural image benchmarks, demonstrate that BioMedVR achieves superior accuracy and generalization, effectively bridging VR and VLMs in biomedical domains.

11.
arXiv (CS.CL) 2026-06-16

Agentic Retrieval and Reinforcement Learned Equation Chains: A Controlled Generation Framework for Complex and Novel Physics Word Problems

Generating high-quality Physics Word Problems (PWPs) that are novel, complex, and solvable remains a challenging and underexplored problem in educational content generation. Existing approaches, many adapted from Math Word Problem (MWP) generation, often produce ambiguous, unsolvable, or structurally simple questions with limited linguistic diversity. We introduce ARVRE (Agentic Retrieval Value Reinforced Equation-chain), a two-stage framework for generating diverse and mathematically valid PWPs. In the first stage, a form of offline temporal-difference learning is used to construct valid chains of physics equations, while an agentic retrieval-augmented generation (RAG) framework dynamically selects topic-specific concepts and vocabulary. This design enables explicit control over problem structure and difficulty. In the second stage, a Large Language Model (LLM) converts the equation chain and retrieved concepts into a natural-language physics question. By grounding generation in valid equation chains, our method preserves mathematical correctness while promoting linguistic diversity and contextual richness. Human and automated evaluations demonstrate that ARVRE generates PWPs that are more complex, novel, and solvable than those produced by existing approaches. These results highlight the potential of combining reinforcement learning, retrieval, and LLMs for reliable generation of educational physics content.

12.
arXiv (quant-ph) 2026-06-19

Recursive perturbation approach to time-convolutionless master equations: Explicit construction of generalized Lindblad generators for arbitrary open systems

arXiv:2506.04095v2 Announce Type: replace Abstract: We develop a recursive perturbative expansion for the time-convolutionless (TCL) generator of an open quantum system in a generalized Lindblad form. This formulation provides a systematic approach to derive the generator at arbitrary order while preserving a Lindblad-like structure, without imposing assumptions on the system or environment beyond an initially uncorrelated state. The generator is written, at all orders, in a canonical form, which also corresponds to the minimal dissipation condition, which uniquely specifies the decomposition of the generator into Hamiltonian and dissipative contributions. To validate the method and show its effectiveness in addressing non-Markovian dynamics and strong-coupling effects, we compute the generator explicitly up to fourth order.

13.
arXiv (CS.AI) 2026-06-16

MimicIK: Real-Time Generative Inverse Kinematics from Teleoperation with FK Consistency

arXiv:2606.15148v1 Announce Type: cross Abstract: Inverse kinematics (IK) remains a critical bottleneck for real-time robot manipulation. Classical numerical solvers achieve high geometric precision but often suffer from discontinuous branch switching and unstable behavior near kinematic singularities during closed-loop deployment. Meanwhile, learned IK approaches frequently struggle to balance spatial accuracy, motion smoothness, and real-time efficiency, particularly when trained on noisy human teleoperation data. We present MimicIK, a real-time generative inverse kinematics framework that learns smooth and robust joint-space motion priors from teleoperation demonstrations through conditional flow matching. Given the current joint configuration and a target end-effector pose, MimicIK predicts continuous delta-joint commands using an efficient two-step iterative refinement process based on a Minimal Iterative Policy (MIP) backbone. To enforce physical consistency, we further introduce an FK consistency loss, a differentiable forward-kinematics regularization that penalizes task-space deviations from the target pose during training. We evaluate MimicIK on a real-world 6-DOF robot dataset containing 8,848 teleoperation demonstrations. MimicIK achieves a mean position error of 4.65 mm, a 10 mm success rate of 92.01\%, and a trajectory spike rate of only 7.99\%. Compared with a UNet diffusion baseline, our method improves both spatial accuracy and motion smoothness while reducing inference latency from 21.66 ms to 6.74 ms. Furthermore, unlike deterministic MLP baselines that catastrophically diverge under out-of-distribution deployment, MimicIK remains stable near singular configurations and enables robust 20 Hz real-time control on deployment hardware.

14.
arXiv (CS.LG) 2026-06-17

Amortizing Maximum Inner Product Search with Learned Support Functions

arXiv:2603.08001v2 Announce Type: replace Abstract: Maximum inner product search (MIPS) is a crucial subroutine in machine learning, requiring the identification of a vector taken within a database (the keys) that best aligns with a given query. We propose amortized MIPS: a regression-based approach that trains neural networks to directly predict MIPS solutions, amortizing the cost of repeatedly solving MIPS for queries drawn from a known distribution over a fixed key database. Our key insight is that the MIPS value function is the support function of the set of keys, a well-studied convex function whose gradient yields the optimal key. This motivates two complementary amortized models: SupportNet, an input-convex neural network trained to regress the support function, and KeyNet, a vector-valued network that directly regresses the optimal key. SupportNet can serve as a cluster router, steering queries toward relevant database partitions, while KeyNet can be used as a drop-in replacement for the original query, fed directly to off-the-shelf indexing pipelines. Our experiments on the BEIR benchmark show that, for document embeddings, learned \SupportNet{}s and \KeyNet{}s significantly improve IVF match rates when accounting for compute effort, whether measured in FLOPs, number of probes, or wall-clock time. Our code is available at: https://github.com/apple/ml-amips.

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

NeuralMUSIC: A Hybrid Neural-Subspace Framework for Robot Sound Source Localization

arXiv:2606.18664v1 Announce Type: cross Abstract: Reliable sound source localization is fundamental to robot audition, enabling autonomous robots to perceive spatial cues and operate effectively in dynamic environments. Classical methods such as Multiple Signal Classification (MUSIC) offer strong theoretical foundations but degrade under low signal-to-noise ratios. While deep learning-based approaches achieve promising performance, they often struggle with limited generalization across conditions. To address these challenges, we propose NeuralMUSIC, a hybrid neural-subspace framework for robotic sound source localization. Specifically, a neural network first estimates the spatial covariance matrix from multichannel microphone observations. The predicted covariance is then integrated into a classical MUSIC pipeline with eigenvalue decomposition (EVD) and pseudo-spectrum computation, followed by a Frequency Attention Fusion (FAF) module to produce the final DOA estimates. To improve data efficiency, we further introduce a Self-supervised Spatial Correlation Learning (SSCL) strategy that leverages unlabeled acoustic data to capture spatial structure. Extensive experiments across different robotic tasks demonstrate that NeuralMUSIC achieves competitive localization accuracy while exhibiting improved robustness and cross-domain generalization.

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

Emergent retokenization symmetry in large language models: phenomenology and applications

Tokenization introduces representational redundancy: under a fixed token vocabulary, every byte string admits many valid token encodings, or segmentations, that decode to the same surface string. However, given a prompt, most language model tokenizers break this representational symmetry by returning a canonical segmentation. Training only on canonical segmentations should influence inference behavior, and there is little reason to expect models to respect segmentation symmetry on downstream tasks. We find that this symmetry partially emerges during training. Here, we probe this emergent symmetry through experiments testing token compositional understanding, representation diversity, and task focused benchmark performance. We primarily use retokenization – replacing a prompt's canonical tokenization with an alternative segmentation while preserving its bytes exactly. Relative to other prompt perturbations, retokenization is unusually clean because it isolates segmentation effects without changing syntax, semantics or surface form. We use retokenization to study sensitivity and robustness to semantically identical input representations across pretraining and post-training. Moreover, this partial retokenization symmetry suggests a distinct inference-time sampling axis. While temperature sampling generates diverse outputs from the model using its next-token probability distribution, retokenization generates diversity from the model's internal computations through semantically equivalent input representations. We find that while this retokenization sampling strategy can hurt performance on easy problems, it can also recover solutions that conventional sampling does not find. Overall, our work presents retokenization as a simple yet powerful probe of large language models, shedding light on compositional understanding and prompt sensitivity, and offering a novel sampling strategy.

17.
arXiv (quant-ph) 2026-06-15

No classical particle limit for massless quanta

arXiv:2606.14632v1 Announce Type: new Abstract: We investigate whether relativistic massless classical particles may emerge as the classical limit of massless quanta. To address this question independently of any specific dynamics, environment, or pointer basis, we develop an axiomatic and purely kinematical framework for the coarse-graining approach. In this formulation, a candidate classical phase space is taken as the outcome space of a POVM subject only to minimal classicality and covariance under the relevant spacetime symmetry group. Applying this framework to the Poincaré group, we prove a no-go theorem for massless particles: the covariance requirement is incompatible with the operational conditions for classicality. The theorem leaves open field-like limits of massless quanta, for example the emergence of electromagnetic or gravitational fields, while ruling out classical massless particles, such as classical photons or gravitons.

18.
arXiv (CS.LG) 2026-06-11

PCS-UQ: Uncertainty Quantification via the Predictability-Computability-Stability Framework

arXiv:2505.08784v2 Announce Type: replace-cross Abstract: As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

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

The Professor: Multi-Teacher Unsupervised Prompt Distillation for Vision-Language Models

arXiv:2606.23897v1 Announce Type: cross Abstract: Prompt distillation compresses large vision-language models (VLMs) such as CLIP into lightweight student models by matching teacher predictions on unlabeled domain images. PromptKD (CVPR 2024) established this paradigm with a single PromptSRC-finetuned ViT-L/14 teacher and a ViT-B/16 student. We propose TheProfessor, a multi-teacher extension that distills from a fixed two-teacher ensemble: a domain-finetuned PromptSRC ViT-L/14 teacher and a zero-shot EVA-CLIP-L/14 teacher whose logits are pre-computed per dataset. We evaluate single-teacher PromptKD, equal-probability ensembling, and confidence-weighted ensembling on four base-to-novel datasets: Caltech-101, DTD, UCF101, and EuroSAT. In a 12-run single-seed sweep, confidence-weighted ensembling improves average HM from 87.52 to 89.28 (+1.77 points), while equal averaging improves average HM to 88.88 (+1.37 points). Gains are dataset dependent: they are negligible on Caltech-101 (+0.16 HM for confidence weighting), modest on UCF101 (+0.62), and largest on domain-shifted EuroSAT (+5.78). These results update our earlier Caltech-only analysis and show that multi-teacher prompt distillation is most useful when the second teacher contributes complementary supervision under domain shift.

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

Stochastic Signed Distance Processes

Multi-view surface reconstruction is a core problem in computer vision. One prominent line of work represents the surface implicitly as a signed distance field (SDF), optimizing it based on the photometric loss between rendered and observed pixel colors. These approaches typically employ SDF-based volume rendering to obtain a differentiable relaxation of discontinuous visibility along rays, thereby reducing reliance on silhouette supervision. In this paper, we reformulate SDF-based volume rendering as probabilistic surface rendering, where each pixel color is modeled as a mixture distribution induced by the random first ray-surface intersection. To this end, we introduce Stochastic Signed Distance Processes (SSDP), which model the SDF along each ray as a stochastic process, inducing a first-passage-time distribution for each ray. We then derive the first-passage probability for each sampling interval based on Bayesian filtering, together with its practical approximation for parallel rendering. We further show that NeuS, an existing SDF-based volume rendering method, arises as a special case of our formulation. Experiments on the DTU and MobileBrick datasets demonstrate that our method outperforms baselines in both surface reconstruction and uncertainty quantification, supporting the effectiveness of our first-passage formulation. Our code is available at https://github.com/skmhrk1209/SSDP.

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

Clifford disentanglers for entanglement reduction in molecular electronic structure simulations

arXiv:2606.12056v1 Announce Type: new Abstract: Entanglement is a key bottleneck limiting the efficiency of tensor-network and quantum simulations of molecular electronic structures. Here, we systematically assess and extend Clifford disentanglers as a structure-preserving approach to entanglement reduction: they can modify the entanglement structure of qubit wavefunctions while retaining the Pauli-string form of qubit Hamiltonians. To enable a practical search over Clifford transformations, we classify Clifford operators by their action on the Schmidt spectrum across a bipartition, reducing the two- and four-qubit search spaces to 20 and 91392 representatives, respectively. Embedded in an iterative Clifford-augmented matrix product state framework, these transformations reduce the energy errors at fixed bond dimension for the molecular test cases studied and mitigate the dependence on orbital orderings and fermion-to-qubit mappings. We further show that Clifford disentanglers can also benefit quantum simulations such as the shallow-circuit variational quantum eigensolver calculations. Together, these results establish Clifford disentanglers as a useful structure-preserving entanglement-engineering tool for tensor-network and quantum simulations of molecular electronic structure, while also clarifying their correlation dependence and motivating future developments.

22.
arXiv (CS.CL) 2026-06-24

Task Decomposition for Efficient Annotation

High-quality annotations of structured representations are expensive to collect over large corpora. Manual annotation of structure is laborious, and model-based annotation, although cheaper to generate, requires expensive validation and potentially significant supervision to ensure that the annotation quality is strong enough to be useful downstream. In traditional annotation workflows, annotation of each complete example is performed end-to-end by a single annotator. However, structured annotation is complex, and each aspect of the task represents a unique challenge with an associated inferential load for a given annotator. Modern annotation projects can incorporate heterogeneous groups of annotators, including both models and human annotators with varying domain and linguistic expertise. It remains unclear, however, how to redesign annotation tasks in this setting, where efforts are discriminately allocated across heterogeneous annotators with respect to distinct annotation challenges. We propose to decompose annotation tasks into sub-tasks in order to reduce the aggregate inferential load of annotation projects. Inspired by the notion of centers from centering theory, we introduce a formal model of inferential load based on the degrees of freedom in the space of valid annotations. Using this model, we show that identifying these centers (i.e. salient anchor entities realized by annotation sub-tasks) constrains the output space complexity, and decompositions which isolate and advance center identification reduce the aggregate inferential load. We provide guidelines for decomposing complex structured annotation tasks, supported by examples demonstrating improved cost-efficiency from our prior work. Finally, we present a procedure for allocating sub-tasks across annotators to maximize quality under a fixed budget.

23.
arXiv (CS.CL) 2026-06-12

LoHoSearch: Benchmarking Long-Horizon Search Agents Beyond the Human Difficulty Ceiling

Search agent benchmarks exemplified by BrowseComp have rapidly saturated over the past year, with the strongest models surpassing 90% accuracy. Since these benchmarks are predominantly human-authored, annotators lack a global perspective on entity statistics and cannot systematically maximize search space size and structural complexity. This creates a difficulty ceiling that is hard to break. To address this, we introduce LoHoSearch (Long-Horizon Search Agents), a challenging benchmark comprising 544 human-verified questions across 11 domains. LoHoSearch is constructed via an automated pipeline built upon a knowledge graph covering over 7 million Wikipedia entities, which selects relations with large search spaces and assembles them into structurally complex questions with KG-verified unique answers. Our evaluation demonstrates that even the strongest model achieves only 34.74% accuracy, and existing context management strategies (best +6.8%) yield far smaller gains than on prior benchmarks. LoHoSearch provides a more demanding standard for evaluating long-horizon reasoning and context management in search agents.

24.
arXiv (CS.LG) 2026-06-16

Spectral Analysis of Molecular Features: When Richer Features Do Not Guarantee Better Generalization

arXiv:2510.14217v2 Announce Type: replace Abstract: The spectral properties of feature embeddings offer critical insights into model generalization and representation quality. While deep learning models are widely used for molecular property prediction, kernel methods remain competitive in low-data regimes, yet their spectral behavior is largely unexplored. We present the first comprehensive spectral analysis of kernel ridge regression across diverse representations-including molecular fingerprints (ECFP), pretrained transformers, graph neural networks, and 3D descriptors-evaluated on QM9 and 3 MoleculeNet benchmarks. Surprisingly, richer spectral features do not consistently yield better generalization performance, contradicting common representation heuristics used in self-supervised learning (SSL). Across 4 spectral metrics, only ECFP-based kernels show a strictly positive correlation with performance. Transformer and global 3D representations exhibit mixed behavior, whereas local 3D representations show consistently negative correlations. Truncation analysis further emphasizes this disparity: for local 3D representations on thermodynamic targets, fewer than 2\% of eigenvalues (and occasionally as few as 0.02\%) are needed to recover 95\% of performance, whereas ECFP and transformer kernels require significantly more. By demonstrating a strong dependence on both task and representation, our results challenge the heuristic that richer spectra inherently improve generalization, providing new guidance for evaluating representations in SSL and in label-limited scientific tasks.

25.
arXiv (CS.AI) 2026-06-16

The embrace of open science: An analysis of a decade of AI research and 56 800 conference papers

arXiv:2606.16974v1 Announce Type: new Abstract: The reproducibility crisis has directed the AI research community toward improving documentation practices. Several studies have identified methodological issues, and in response, the most impactful venues in the field have introduced reproducibility checklists. We seek to understand whether documentation practices have changed over time by assessing all published papers at five leading AI conferences over the past decade. Seven reproducibility variables were identified, quality-assured and used to analyse 56 800 publications. Our analysis reveals that in the period 2014 to 2024, documentation practices have improved; papers sharing both code and data increased nearly sixfold, from 11% to 64% Building on empirical reproducibility rates from a prior study, we estimate - inferred from documentation practices, not direct testing - that reproducibility increased from 28% in 2014 to 64% in 2024. Improvements in documentation practices predate the introduction of reproducibility checklists, suggesting these changes reflect a broader movement toward open science rather than a direct response to formal requirements.