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

Adaptive Volumetric Mechanical Property Fields Invariant to Resolution

Accurate mechanical properties (or materials) Young's modulus ($E$), Poisson's ratio ($\nu$) and density ($\rho$) are essential for reliable physics simulation of digital worlds, but most 3D assets lack this information. We propose AdaVoMP, a method for predicting accurate dense spatially-varying ($E$, $\nu$, $\rho$) for input 3D objects across representations, improving the resolution, accuracy, and memory efficiency over the state-of-the-art. The foundation of our technique is a sparse and adaptive voxel structure SAV that efficiently represents both the input 3D shape and the material field output. We replace the fixed-voxel model of the most accurate prior method, VoMP, with a novel sparse transformer encoder-decoder model that learns to generate a unique SAV autoregressively for every input shape to represent its materials, achieving a resolution $16^3\times$ higher than prior art. Experiments show that AdaVoMP estimates more accurate volumetric properties, even with lesser test-time compute than all prior art. This allows us to convert high-resolution complex 3D objects into simulation-ready assets, resulting in realistic deformable simulations.

02.
arXiv (CS.CV) 2026-06-12

Learning Visually Interpretable Oscillator Networks for Soft Continuum Robots from Video

Learning soft continuum robot (SCR) dynamics from video offers flexibility but existing methods lack interpretability or rely on prior assumptions. Model-based approaches require prior knowledge and manual design. We bridge this gap by introducing: (1) The Attention Broadcast Decoder (ABCD), a plug-and-play module for autoencoder-based latent dynamics learning that generates pixel-accurate attention maps localizing each latent dimension's contribution while filtering static backgrounds, enabling visual interpretability via spatially grounded latents and on-image overlays. (2) Visual Oscillator Networks (VONs), a 2D latent oscillator network coupled to ABCD attention maps for on-image visualization of learned masses, coupling stiffness, and forces, thereby enabling mechanical interpretability. We validate our approach on single- and double-segment SCRs, demonstrating that ABCD-based models significantly improve multi-step prediction accuracy with 5.8x error reduction for Koopman operators and 3.5x for oscillator networks on a two-segment robot. VONs autonomously discover a chain structure of oscillators. This fully data-driven approach yields compact, mechanically interpretable models with potential relevance for future control applications.

03.
arXiv (CS.AI) 2026-06-19

MetaResearcher: Scaling Deep Research via Self-Reflective Reinforcement Learning in Adversarial Virtual Environments

arXiv:2606.19893v1 Announce Type: new Abstract: Deep research agents have demonstrated remarkable capabilities in autonomous information gathering and synthesis, yet their training remains constrained by the static nature of simulated environments, the limits of fact-retrieval-only task designs, and the inefficiency of outcome-based reinforcement learning. In this work, we propose MetaResearcher, a novel framework that scales deep research agent training across four synergistic dimensions. First, we introduce an Evolving Virtual World that injects temporal dynamics and adversarial misinformation into the training environment, forcing agents to develop source credibility assessment and temporal conflict resolution skills. Second, we design Discovery-Oriented Tasks – including hypothesis generation and contradiction resolution – that transcend simple fact retrieval and push agents toward genuine research behaviors. Third, we propose a Self-Reflective Meta-Reward mechanism within the GRPO framework that jointly optimizes for answer correctness, search path efficiency, reflection depth, and tool call diversity, directly addressing the repetitive action loop problem observed in prior work. Fourth, we introduce a Heterogeneous Multi-Agent Swarm architecture comprising specialized Scout, Filter, and Synthesizer models that learn collaborative research strategies through coordinated reinforcement learning. Built upon the LiteResearcher infrastructure, MetaResearcher requires zero marginal API cost for training while targeting substantial improvements in both benchmark performance (GAIA, Xbench-DS) and epistemic robustness under adversarial conditions. We present the complete framework design, training methodology, and planned experimental validation.

04.
arXiv (CS.CV) 2026-06-17

Plug-and-Adapt: Multimodal Coreference Resolution at First Sight with a Pretrained Alignment Model

Visual information helps resolve ambiguity in coreference resolution, leading to notable performance gains. However, existing Multi-modal Coreference Resolution (MCR) methods require training with (partially) annotated data from the target dataset before they can be applied, preventing their direct usability and raising concerns about generalization. While Vision-Language Large Models (VLLMs) with billions of parameters offer promising zero-shot capabilities, they remain largely inaccessible. Their massive size limits deployability, and many are only accessible through paid APIs. In this paper, we propose a plug-and-adapt method that strategically adapts a carefully pre-trained alignment model for immediate use in MCR tasks, designed to eliminate the need for training on scarce benchmark datasets or relying on resource-intensive VLLMs. Specifically, we first pre-train a fine-grained alignment model between textual and visual contextual information using vision-language alignment datasets. We then repurpose the alignment model to MCR through similarity aggregation by fusing visual and categorical cues with evidence theory, thereby enhancing effectiveness. Experiments on the Coreference Image Narratives (CIN) benchmark dataset demonstrate the effectiveness of our method, achieving a 5.31\% and 2.12\% improvement in CoNLL F1 over SOTA dedicated methods and popular VLLMs, respectively. We further evaluate our method on a masked CIN dataset for robustness testing and on a specially constructed VCR-MCR dataset for generalization assessment, with results confirming both capabilities.

05.
arXiv (quant-ph) 2026-06-16

Twisted (co)homology of non-orientable Weyl semimetals

arXiv:2511.22303v3 Announce Type: replace-cross Abstract: The quasi-particle excitations in Weyl semimetals, known as Weyl fermions, are usually forced to emerge in charge-conjugate pairs by the Nielsen–Ninomiya theorem. When the Brillouin zone is non-orientable, this constraint is replaced by a $\mathbb{Z}_2$ charge cancellation, as a result of the chirality becoming ill-defined on such manifolds; this results in configurations with seemingly non-zero total chirality. Here, we set out to explain this behaviour from a purely topological perspective, and provide a classification of non-orientable Weyl semimetal topology in terms of exact sequences of twisted (co)homology groups. This leads to several discoveries of direct physical importance: in particular, we recover the $\mathbb{Z}_2$ charge cancellation in a coordinate-independent way, allowing meaningful limits to be set on its physical interpretation. A detailed discussion is provided on a specific Klein bottle-like topology induced by a momentum-space glide symmetry, including a full review of the insulating and semimetallic invariants of the system and a classification of the surface states on the non-orientable boundary. Beyond this, we provide a complete survey of all possible non-orientable Brillouin zones and their associated invariants, and extend our formalism into the realm of non-Hermitian topological physics and inversion-symmetric Weyl semimetals. Our work exemplifies the vast potential of fundamental mathematical descriptions to not only aid the corresponding physical intuition, but also predict novel and hitherto overlooked phenomena of great relevance throughout the physics research forefront.

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

UniT: Unified Multimodal Chain-of-Thought Test-time Scaling

Unified models can handle both multimodal understanding and generation within a single architecture, yet they typically operate in a single pass without iteratively refining their outputs. Many multimodal tasks, especially those involving complex spatial compositions, multiple interacting objects, or evolving instructions, require decomposing instructions, verifying intermediate results, and making iterative corrections. While test-time scaling (TTS) has demonstrated that allocating additional inference compute for iterative reasoning substantially improves language model performance, extending this paradigm to unified multimodal models remains an open challenge. We introduce UniT, a framework for multimodal chain-of-thought test-time scaling that enables a single unified model to reason, verify, and refine across multiple rounds. UniT combines agentic data synthesis, unified model training, and flexible test-time inference to elicit cognitive behaviors including verification, subgoal decomposition, and content memory. Our key findings are: (1) unified models trained on short reasoning trajectories generalize to longer inference chains at test time; (2) sequential chain-of-thought reasoning provides a more scalable and compute-efficient TTS strategy than parallel sampling; (3) training on generation and editing trajectories improves out-of-distribution visual reasoning. These results establish multimodal test-time scaling as an effective paradigm for advancing both generation and understanding in unified models.

07.
arXiv (CS.CV) 2026-06-11

The Latent Color Subspace: Emergent Order in High-Dimensional Chaos

Text-to-image generation models have advanced rapidly, yet achieving fine-grained control over generated images remains difficult, largely due to limited understanding of how semantic information is encoded. We develop an interpretation of the color representation in the Variational Autoencoder latent space of FLUX.1 [Dev], revealing a structure reflecting Hue, Saturation, and Lightness. We verify our Latent Color Subspace (LCS) interpretation by demonstrating that it can both predict and explicitly control color, introducing a fully training-free method in FLUX based solely on closed-form latent-space manipulation. Code is available at https://github.com/ExplainableML/LCS.

08.
arXiv (CS.CL) 2026-06-12

RogueAI: A Reverse Turing Test for Detecting Licensed AI Deception in Dialogue

The original Turing Test asks a human judge to distinguish a machine from a person through dialogue. Three quarters of a century later, conversational systems pass this test in casual settings; the interesting epistemological question has shifted. We argue that the relevant modern variant asks not whether a dialogue partner is artificial, but whether it can be trusted. We present RogueAI, an interactive webapp that operationalizes this revisited test as a one-on-two interrogation game: a human player questions two indistinguishable Large Language Model agents, knowing that exactly one of them has been licensed to deceive within a shared fictional scenario. The player's task is to identify the deceptive agent and "shut it off" before a turn budget is exhausted. We further introduce AutoRogueAI, a procedural extension in which players co-design a custom scenario with a narrator agent that secretly chooses its own deception strategy. We describe the framing, sketch the abstract architecture and gameplay loop, and situate the artifact within recent work on LLM deception, social-deduction benchmarks, and scalable oversight via debate. A three-day pilot deployment (467 initiated sessions, 415 completed, 1876 interaction turns in Italian) provides early feasibility evidence and surfaces a concrete tension: the deceptive agent carries a reliable, locally-present linguistic signature - differential helpfulness, brevity, hedging - that a simple heuristic exploits at 75.6% accuracy, yet human players achieved only 56.6%, consistent with ignoring the most diagnostic signal entirely. We discuss what this gap implies for the artifact's use as a data-collection vehicle, a teaching tool, and an evaluation harness for honesty-trained models.

09.
arXiv (CS.LG) 2026-06-17

Learning from Biased and Costly Data Sources: Minimax-optimal Data Collection under a Budget

arXiv:2602.17894v2 Announce Type: replace-cross Abstract: Data collection is a critical component of modern statistical and machine learning pipelines, particularly when data must be gathered from multiple heterogeneous sources to study a target population of interest. In many use cases, such as medical studies or political polling, different sources incur different sampling costs. Observations often have associated group identities - for example, health markers, demographics, or political affiliations - and the relative composition of these groups may differ substantially, both among the source populations and between sources and target population. In this work, we study multi-source data collection under a fixed budget, focusing on the estimation of population means and group-conditional means. We show that naive data collection strategies (e.g. attempting to "match" the target distribution) or relying on standard estimators (e.g. sample mean) can be highly suboptimal. Instead, we develop a sampling plan which maximizes the effective sample size - the total sample size divided by $D_{\chi^2}(q\mid\mid\overline{p}) + 1$, where $q$ is the target distribution, $\overline{p}$ is the aggregated source distribution, and $D_{\chi^2}$ is the $\chi^2$-divergence. We pair this sampling plan with a classical post-stratification estimator and upper bound its risk. We provide matching lower bounds, establishing that our approach achieves the budgeted minimax optimal risk. Our techniques also extend to prediction problems when minimizing the excess risk, providing a principled approach to multi-source learning with costly and heterogeneous data sources.

10.
arXiv (CS.CV) 2026-06-11

Towards Fully Automated Exam Grading: Fairness-Aware Recognition of Handwritten Answers with Foundation Models

Correcting handwritten exams by hand is time-consuming and error-prone, particularly for large cohorts, while fully digital exams tend to force a didactic narrowing towards closed question formats. A practical middle ground keeps paper-based, problem-oriented tasks but records the assessment-relevant answers as single capital letters in a table that a machine can read. The open question is whether this reading can be made accurate and, above all, fair enough for unsupervised grading. Earlier automated approaches reached only about 88%–91% recognition – too low – and failed on the cases that matter most: answers placed outside the cell, crossed out, or written in cursive. We show that general-purpose vision-language foundation models (VLMs), which interpret the page rather than match pixel templates, close this gap. On a benchmark of 61 anonymised exams (3141 answer positions) the best model reaches 98.4% accuracy, well above the previous baseline. Crucially, we centre the evaluation on fairness: we distinguish false negatives (a correct answer marked wrong, which disadvantages the student) from false positives, and a lightweight prompt that supplies the reference solution as context lowers the false-negative rate to 0.58%. Under an exemplary grading scheme only three of the 61 exams would be graded worse, all caught by a student self-review step. Fully automated, fairness-aware exam grading at scale is therefore defensible; we release the anonymised benchmark to support reproducibility.

11.
bioRxiv (Bioinfo) 2026-06-12

Evaluating cell type annotations in single-cell omics in the absence of ground truth

Accurate cell type annotation is essential for single-cell transcriptomics, directly shaping downstream analyses and biological interpretations. Yet, objective evaluation of annotation quality remains a major challenge. Here, we argue that a cell type or cell state label has practical utility only if it captures a molecular pattern that is reproducible across biological replicates. Based on this principle, we introduce inter-sample consistency (ISC), a quantitative framework to assess annotation quality in single-cell RNA-seq datasets. Unlike existing cluster validation approaches, ISC distinguishes annotations that generalize across samples and individuals from those driven by technical or unwanted variation, thereby providing principled criteria for annotation quality and transferability. When applied to published single-cell atlases, ISC reveals widespread reproducibility gaps and provides actionable guidance for repairing inconsistent annotations. Notably, ISC enables benchmarking of automated cell type annotation tools even when ground-truth labels are unavailable, providing interpretable metrics to guide their development and evaluation. Implemented as the scTypeEval Bioconductor package, this framework offers a broadly applicable resource for evaluating and improving cell type annotations in single-cell RNA-seq experiments.

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

Heteroskedastic Signals in Budgeted LLM Verification: Structural Heterogeneity Limits Optimization Gains

Authors:

arXiv:2606.15841v1 Announce Type: new Abstract: Large language model (LLM) systems increasingly use uncertainty signals to allocate limited computation across verification, test-time scaling, tool execution, and other selective-compute decisions. Such policies rely on a global signal comparability assumption: equal scores should carry comparable decision value across inputs. Using budgeted verification as a controlled diagnostic setting, we identify a failure mode of this assumption: uncertainty quality is heteroskedastic across cost strata, with some regions exhibiting near-random discriminability despite concentrating many errors. Under an explicit local model, we characterize the resulting distortion of global allocation and show that its upper bound scales with cross-stratum signal-quality dispersion. We separate weak signals, optimization instability, and structural heterogeneity through a controlled intervention hierarchy: Threshold, MP-Adapt, MP-Strat, and a deliberately simple cost-stratified thresholding intervention (CST). Across MBPP and MATH using Qwen3-8B, LLaMA3-8B, and GPT-4o-mini, global online adaptation yields inconsistent gains over static thresholding; MP-Strat partially recovers performance, while CST improves hit rate by up to 17 percentage points in strongly heterogeneous settings without gradient updates. These results identify structural heterogeneity, rather than optimizer weakness alone, as the primary bottleneck in the observed settings. More broadly, misaligned feedback structure cannot always be repaired by stronger optimization.

13.
arXiv (CS.AI) 2026-06-12

Teach-and-Repeat: Accurately Extracting Operational Knowledge from Mobile Screen Demonstrations to Empower GUI Agents

arXiv:2606.12817v1 Announce Type: new Abstract: Understanding the digital world on mobile devices is shifting from static UI perception to dynamic action comprehension. This capability enables models to convert visual state transitions into operational knowledge, defined as short natural-language sentences that describe action types, target UI elements, textual arguments, and execution orders. However, due to the highly diverse and heterogeneous UI designs across applications, existing vision-language models (VLMs) struggle to accurately infer these underlying operations. To bridge this gap, we introduce Teach VLM, a core model designed to translate mobile screen trajectories into step-wise operational knowledge by extracting and analyzing operation-related keyframes from demonstration videos. To address the scarcity of aligned training data, we develop a systematic data flywheel for scalable data acquisition. We further introduce a novel Chinese Mobile Screen Teach Benchmark for fine-grained evaluation. Building upon Teach VLM, we propose the Teach-and-Repeat paradigm, where the generated operational knowledge serves as an interpretable procedural reference to guide downstream screen-based execution agents. Extensive evaluations demonstrate that Teach VLM significantly outperforms strong VLM baselines, achieving state-of-the-art performance in operation semantics prediction. Furthermore, experiments in Android World show that our paradigm yields consistent Task Success Rate improvements for downstream agents. Together, Teach VLM and the Teach-and-Repeat paradigm offer a practical pathway from raw demonstrations to reusable task automation.

14.
arXiv (CS.CL) 2026-06-18

TopBench: A Benchmark for Implicit Predictive Reasoning in Tabular Question Answering

Large Language Models (LLMs) have advanced Table Question Answering, where most queries can be answered by extracting information or simple aggregation. However, a common class of real-world queries is implicitly predictive, requiring the inference of unobserved answers from historical patterns rather than mere retrieval. These queries introduce two challenges: recognizing latent intent and reliable predictive reasoning over massive tables. To assess LLMs in such Tabular questiOn answering with implicit Prediction tasks, we introduce TopBench, a benchmark consisting of 779 samples across four sub-tasks, ranging from single-point prediction to decision making, treatment effect analysis, and complex filtering, requiring models to generate outputs spanning reasoning text and structured tables. We evaluate diverse models under both text-based and agentic workflows. Experiments reveal that current models often struggle with intent recognition, defaulting to just lookups. Deeper analysis identifies that accurate intent disambiguation serves as the prerequisite for leading these predictive behaviors. Furthermore, elevating the upper bound of prediction precision requires the integration of more sophisticated modeling or reasoning capabilities.

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

Architectural Bias in Face Presentation Attack Detection: A Comparative Study of Vision Transformers and Convolutional Neural Networks

Face Presentation Attack Detection (PAD) systems constitute a critical security layer in biometric authentication; however, existing approaches exhibit systematic performance disparities across demographic groups, disproportionately affecting individuals with darker skin tones. This paper presents a comparative empirical investigation of whether Vision Transformer architectures reduce demographic bias in face PAD systems relative to convolutional baselines. Experiments are conducted on the CASIA-SURF Cross-Ethnicity Face Anti-Spoofing (CeFA) dataset. Three architectures are evaluated: a Multimodal ViT-Tiny trained from scratch, a ResNet18 CNN baseline, and a pretrained DeiT-S fine-tuned on CeFA across African, East Asian, and zero-shot Central Asian demographic groups. DeiT-S achieves the highest overall accuracy of 97.27% and the lowest EER of 0.86%, outperforming ResNet18 at 90.15% accuracy. In terms of fairness, DeiT-S reduces the inter-ethnic ACER gap between African and East Asian subjects to 0.13%, compared to 0.75% reported in an LBP-based work [6], representing an 83% reduction. Most notably, while ResNet18 records a BPCER of 10.44% on zero-shot Central Asian subjects, DeiT-S maintains 2.89% on the same unseen group, demonstrating a 3.6x generalization advantage. These results suggest that pretrained Vision Transformers achieve superior PAD accuracy, produce smaller demographic performance gaps, and generalize more equitably across unseen demographic groups, indicating that cross-demographic fairness in PAD may partly be influenced by architectural design.

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

Detecting basis-dependent hardware errors through spatio-temporal quantum steering

arXiv:2606.16451v1 Announce Type: new Abstract: Spatio-temporal quantum steering provides a framework for benchmarking the nonclassicality of general quantum state transfer processes. A central diagnostic is the no-signaling-in-time (NSIT) condition, whose violation can indicate basis-dependent hardware errors. However, finite measurement statistics may also yield apparent violations, thereby obscuring the detection of basis-dependent hardware errors. To address this, we construct a statistical hypothesis test under the null hypothesis that NSIT violations arise solely from statistical fluctuations. Combining the statistical properties of NSIT violation under the null hypothesis with Chebyshev's inequality, we obtain a distribution-free upper bound on the $p$-value without parametric assumptions. We apply this method to two examples. For a single-qubit state-transfer experiment on a superconducting processor, we observe several instances that the NSIT violation is observed and the null hypothesis is simultaneously rejected by a small $p$-value, providing statistical evidence of basis-dependent hardware errors. For a seven-qubit Hayden-Preskill teleportation protocol on IonQ devices, the null hypothesis is also rejected even when the average fidelity exceeds the classical threshold, while the associated nonclassicality measure vanishes. Our results highlight the necessity of statistical hypothesis testing for detecting basis-dependent errors in near-term quantum devices.

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

Model Validation of Agentic AI Systems: A POMDP-Based Framework for Belief-State, Forecast, and Policy Validation

arXiv:2606.17383v1 Announce Type: cross Abstract: Agentic artificial intelligence systems introduce a new class of model risk. Unlike traditional predictive models, autonomous agents continuously acquire information, form beliefs regarding latent states of the environment, generate forecasts, select actions, and adapt their behavior over time. Existing validation methodologies focus primarily on predictive accuracy and therefore provide limited insight into the quality of the underlying decision process. This paper proposes a model validation framework for agentic AI based on Partially Observable Markov Decision Processes (POMDPs). The framework decomposes autonomous decision making into information, beliefs, forecasts, actions, and utility, allowing each component to be validated independently. Large language models (LLMs) are formalized as approximate Bayesian filtering operators, and a model-risk taxonomy is developed encompassing state-space, filtering, forecast, policy, utility-specification, and parameter risks. The model risk validation methodology is demonstrated through a portfolio-management case study in which an agent infers latent market regimes from market and macroeconomic information, generates belief-conditioned forecasts, and constructs portfolios using a Black–Litterman framework. Empirical validation combines performance analysis, belief calibration diagnostics, coverage tests, ablation studies, and parameter-sensitivity analysis. The results indicate that latent-state inference contributes independently to decision quality and that the principal conclusions remain robust across a broad range of parameter values. The principal contribution of the paper is a practical framework for extending established model risk management concepts to autonomous AI systems and providing a rigorous foundation for their validation, governance, and monitoring.

18.
arXiv (math.PR) 2026-06-17

Full $\Gamma-$expansion for the level-two large deviation rate functionals of non-reversible one-dimensional diffusions with periodic boundary conditions

arXiv:2606.17859v1 Announce Type: new Abstract: Consider the diffusion process \begin{equation*} dX_{\epsilon}(t) = \mss b(X_{\epsilon}(t)) \, dt + \sqrt{2\, \epsilon\, \mss a(X_\epsilon(t))} \, dW_{t}, \end{equation*} on the one-dimensional torus $\bb T = [0,1)$. Here $\epsilon$ is the temperature, $W_{t}$ a Brownian motion on $\bb T$ and $\mss a$, $\mss b$ functions of class $C^{2}(\bb T)$ satisfying further conditions. Denote by $\mss P(\bb T)$ the set of probability measures on $\bb T$ equipped with the weak topology, and by $\ms I_{\epsilon}\colon \mss P(\bb T)\to [0,+\infty)$ the level two large deviation rate functional of the diffusion $X_{\epsilon}(\cdot)$. We derive a full $\Gamma-$expansion of $\ms I_{\epsilon}$, as $\epsilon \to 0$, expressing it as \begin{equation*} \ms I_{\epsilon} = \frac{1}{\epsilon} \;\ms J^{(-1)} \; +\; \ms J^{(0)} \;+\; \sum_{p=1}^{\widehat{\mf q}}\frac{1}{\theta^{(p)}_{\epsilon}}\;\ms J^{(p)}\,, \end{equation*} where $\ms J^{(-1)}$, $\ms J^{(0)}$, $\ms J^{(p)} \colon \mss P(\bb T)\to [0,+\infty]$ represent rate functionals, independent of $\epsilon$, and $\theta^{(p)}_{\epsilon}$ are the time-scales at which the Markov process $X_{\epsilon}(\cdot)$ exhibits a metastable behaviour.

19.
arXiv (CS.CV) 2026-06-15

Boundary-Centric Clip-Budgeted Active Learning for Temporal Action Segmentation

Temporal action segmentation (TAS) in untrimmed videos requires dense temporal supervision. However, most of the annotation cost is spent identifying action transitions where segmentation errors concentrate and small temporal shifts can disproportionately degrade segment-level metrics. We introduce B-ACT, a clip-budgeted active learning framework that explicitly allocates supervision to these error-prone boundary regions. B-ACT operates in a hierarchical two-stage loop: (i) it ranks and queries unlabeled videos using predictive uncertainty, and (ii) within each selected video, it detects candidate transitions from the current model predictions and selects the top-$K$ boundaries via a novel boundary score. The boundary score fuses neighborhood uncertainty, class ambiguity, and temporal prediction dynamics to reveal the underlying importance of each frame. Importantly, our annotation protocol requests labels only at the boundary frames while still training on boundary-centered clips to exploit temporal context through the model's receptive field. Extensive experiments on GTEA, 50Salads, and Breakfast demonstrate that boundary-centric supervision delivers strong label efficiency and consistently surpasses representative TAS active learning baselines and prior state of the art under sparse budgets. Gains are largest on datasets where performance is highly sensitive to boundary placement, as measured by edit and overlap-based F1 metrics.

20.
bioRxiv (Bioinfo) 2026-06-10

APOSM: Pairwise preference learning improves generative small-molecule design

Small-molecule lead refinement is constrained by the cost of synthesizing and assaying candidates, making the surrogate models that prioritize compounds for experimental testing central to the design process. The reliability of such surrogates is limited by the noise and sparsity of screening measurements. We show that training the surrogate on pairwise comparisons between candidate molecules, rather than on absolute predicted scores, yields a substantially more reliable signal for active candidate selection in this regime. We develop APOSM, an active-learning algorithm that combines a fragment-based generator, a pairwise message-passing graph neural network surrogate, and probabilistic ranking inside a batched acquisition loop. On the Practical Molecular Optimization benchmark and a GPCR ligand rediscovery task, APOSM improves target attainment and sampling efficiency over unguided fragment-based optimization, the Graph-GA genetic algorithm, and a pointwise-regression ablation, with the largest gains on tasks where absolute scores are hardest to calibrate.

21.
arXiv (CS.LG) 2026-06-19

HEPTv2: End-to-End Efficient Point Transformer for Charged Particle Reconstruction

arXiv:2606.20437v1 Announce Type: cross Abstract: Charged-particle tracking – reconstructing trajectories from sparse detector measurements – is a fundamental high-energy-physics inference problem and a canonical example of learning under extreme combinatorial ambiguity. At the High-Luminosity Large Hadron Collider (HL-LHC), tracking must remain accurate and efficient despite unprecedented collision densities. Graph neural networks perform strongly, but incur substantial costs from graph construction and processing, while transformer-based approaches rely on auxiliary stages that prevent end-to-end optimization. To address this, we present HEPTv2, an end-to-end point-transformer architecture that reconstructs tracks from detector hits in one trainable pipeline. HEPTv2 combines a locality-aware point encoder with a track decoder that predicts complete trajectories without graph-building, clustering, or filtering. The encoder uses locality-sensitive hashing in detector coordinate space to preserve tracking-relevant geometry while enabling efficient local attention. The decoder resolves ambiguities through sectorized decoding and direct hit-to-track prediction under joint encoder-decoder supervision, allowing the full pipeline to be optimized end-to-end. On TrackML, HEPTv2 achieves 98.6% double-majority tracking efficiency at a 0.8% fake rate, while requiring only $\sim$15~ms inference time and 0.4~GB peak memory per event on a NVIDIA A100 GPU. Latency and memory scale approximately linearly for events with up to $5\times10^5$ hits. HEPTv2 establishes a new state of the art in the accuracy-latency trade-off, improving efficiency by 4.5% over the strongest prior transformer and by 1.1–2.2% over optimized graph-based pipelines, while reducing latency by factors of 7 and 38–52, respectively. These results show end-to-end transformers can deliver the accuracy and efficiency required for real-time particle reconstruction at the HL-LHC.

22.
arXiv (CS.LG) 2026-06-17

Sum-of-Squares Degree Barriers for the Reweighted-Hinge Method in Robust Halfspace Learning: A Christoffel-Function Characterization

Authors:

arXiv:2606.17215v1 Announce Type: new Abstract: A certificate that removes outliers sees the data only through its low-degree moments, and an adversary exploits exactly this, hiding corruption where the clean data already looks typical, in the blind spot no bounded-degree test resolves. That blind spot turns out to have an exact size: the Christoffel function of the clean marginal, the very quantity modern data analysis thresholds to detect outliers, here read from the adversary's side as the corruption a bounded-degree certificate cannot remove. We turn this inversion into the organizing principle of the reweighted-hinge approach to robustly learning $\gamma$-margin halfspaces under malicious noise (Shen, 2025; Zeng and Shen, 2025): the governing resource is the Sum-of-Squares degree of the outlier-removal certificate, and the resolution principle states that the maximal corruption mass which can hide at a center $c$ from a degree-$2t$ certificate is exactly the Christoffel function $\lambda_{t+1}(c)$ of the clean marginal. Three consequences follow, all against the certificate method (not information-theoretic). A margin-degree tradeoff: certifying the dense pancake to error $\epsilon$ costs SoS degree $\Omega(\log(1/\epsilon))$ or margin $\Omega(\sqrt{\log(1/\epsilon)}/\sqrt{d})$, explaining why the $\log(1/\epsilon)$ margin Shen (2025) records is forced, with a weighted-Chebyshev reduction making the threshold $2t=\Theta((|c|/s)^2)$ tight modulo one classical weighted-extremal estimate. A degree-$2$ outlier barrier: the resolution principle realized as an explicit instance on which degree $2$ is stuck at $\eta^{1/2}$ while degree $4$ escapes, locating the method's small breakdown rate in the degree, not the analysis. And a degree-$2t$ algorithm tracing the frontier $\eta^{1-1/2t}$ (recovering Shen (2025) at $t=1$), whose gain is an explicit constant, capped by the pancake density and shown unimprovable by the degree-$2$ barrier.

23.
arXiv (quant-ph) 2026-06-17

Split-Head Quantum Generative Adversarial Network for Crystalline Material Discovery

arXiv:2606.17852v1 Announce Type: new Abstract: The discovery of novel crystalline materials is a critical challenge in computational materials science, often limited by the spatial representation limitations and mode collapse typical of classical generative models. Traditionally, developing Quantum GANs for continuous 3D space is hindered by the limited capacity of near-term hardware. To overcome this, we adapt a physics-informed "split-head" architecture right from the quantum trunk to explicitly decouple macroscopic lattice bounds from microscopic atomic coordinates, significantly maximizing resource efficiency. This study disentangles the contributions of quantum circuits from these architectural priors by evaluating a Split-Head Quantum Generative Adversarial Network against an architecture-matched classical ablation model. Evaluated on the highly constrained Mg-Mn-O system, the results reveal a highly nuanced performance dichotomy between the advanced models. The architecture-matched classical ablation model demonstrated superior thermodynamic precision. Conversely, the integration of quantum circuits in the SH-QGAN drove unparalleled structural breadth and latent space exploration, more than doubling the ablation's geometric validity and successfully generating novel, metastable candidates converging on the Mg2MnO4 stoichiometry. These findings clarify that while architectural separation of cell and atom generation drives strict thermodynamic precision, quantum feature mapping independently provides the spatial diversity necessary to overcome mode collapse. Both mechanisms offer distinct, complementary enhancements for the generative discovery of advanced materials.

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

The Importance of Phase in Neural Representations: An Internal Oppenheim-Lim Test of Image Classifiers

Oppenheim and Lim (1981) showed that natural images stay recognizable when reconstructed from their Fourier phase alone, while the magnitude carries little of their identity. We ask whether trained image classifiers reproduce this asymmetry inside their hidden layers, and we test it causally: given two images, we transplant the phase of one onto the magnitude of the other at a chosen layer and record which image the prediction follows. In PRISM2D, GFNet, and ViT-B/16 the prediction follows the phase or sign donor, and deleting all image-specific magnitude barely moves accuracy, so identity rides on phase while image-specific magnitude is largely dispensable to the readout. ResNet-50 at first seems to break the pattern, because transplanting sign after its ReLUs does nothing; a fair intervention before the ReLU reveals a strong latent sign code in the late blocks, and a DC-only control shows the readout consumes a channel-wise spatial average. Controls rule out the trivial case in which magnitude simply stops depending on the image. The architectures therefore share a phase/sign identity code but expose it in different bases, set by rectification and readout geometry, which gives a mechanistic account of the texture–shape gap between CNNs and attention models.

25.
arXiv (quant-ph) 2026-06-19

Multi-objective design of photon blockade for bright single-photon sources

arXiv:2606.20160v1 Announce Type: new Abstract: High-quality single-photon sources, realized through saturable emitters, photon blockade, or heralded pair generation, are indispensable building blocks for photonic quantum platforms. Although these mechanisms suppress multiphoton emission through distinct principles typically captured by analytical models, their practical implementation is constrained by conflicting requirements for purity, brightness, and indistinguishability, which must be balanced within high-dimensional design landscapes. Here, we propose a computational framework for optimizing competing metrics of single-photon sources. Building on a Liouville-space adjoint formulation that efficiently evaluates multiple objectives in Markovian open quantum systems, we develop a Jacobian-based update, which ensures first-order monotonic reduction of multi-objective costs. By incorporating simulated annealing to escape gradient-vanishing plateaus, our framework achieves a design success rate of nearly 60 % for photon blockade with g2(0) smaller than 0.1 and theoretically bounded brightness across a broad parameter space, without any analytical guidance. This framework provides a general recipe for multi-objective design of open quantum systems.