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01.
arXiv (quant-ph) 2026-06-25

Optimizing Pump Conditions of Parametric Amplifiers for Fast Multiplexed Readout of Superconducting Qubits

arXiv:2606.22080v2 Announce Type: replace Abstract: Low-noise parametric amplifiers are widely used as the first-stage amplifier in qubit readout chains. The performance of parametric amplifiers depends sensitively on the choice of the pump condition. We propose a strategy for determining the pump condition that is tailored for fast multiplexed readout. Choosing the amplifier pump to maximize the signal-to-noise ratio (SNR) improvement at the readout frequency of the limiting qubit–the qubit that requires the longest readout time to reach a target SNR–minimizes the total multiplexed readout time. We demonstrate our pump calibration strategy experimentally on a five-qubit multiplexed readout chain with a traveling-wave parametric amplifier. Using our strategy, we reduce the multiplexed readout time by 320 ns compared to optimizing the average SNR improvement on all qubits, without degrading the target SNR for any qubit.

02.
arXiv (CS.CL) 2026-06-25

Tracing Target Answers in Poisoned Retrieval Corpora via Token Influence Attribution

Retrieval-Augmented Generation (RAG) systems are vulnerable to corpus poisoning attacks that manipulate model outputs through malicious retrieved documents. Existing detection methods typically rely on auxiliary classifiers or additional LLM-based verification, introducing substantial computational overhead. We present TRACE, a lightweight detection framework that identifies poisoning attacks by tracing answer-related tokens through token influence attribution. TRACE first discovers recurrent high-influence keywords across retrieved documents and then performs a secondary verification to confirm their influence on model predictions. Experiments on three QA benchmarks and six LLMs demonstrate strong detection performance while simultaneously uncovering attacker-specified target answers.

03.
arXiv (math.PR) 2026-06-15

Trivariate Hypergeometric Series Formulas for Pure Partition Functions of Multiple $3$-SLE$_\kappa$

Authors:

arXiv:2606.14038v1 Announce Type: new Abstract: Pure partition functions of multiple SLE are characterized by null-state partial differential equations, Möbius covariance, and boundary asymptotics. After quotienting by Möbius covariance, the case of three curves is the first genuinely multivariable one: the moduli space has three independent variables, naturally represented by the three unoriented cross-ratios of the three pairs of links. We solve this Möbius-normalized three-variable problem for the two basic link-pattern types of multiple \(3\)-SLE\(_\kappa\), namely the rainbow and neighbor patterns. Writing \(\beta=4/\kappa\), we construct explicit trivariate hypergeometric-series normal forms and identify them with the corresponding pure partition functions for all \(\beta>1/2\) in the rainbow case and all \(\beta\ge2/3\) in the neighbor case. Equivalently, these ranges are \(\kappa\in(0,8)\) and \(\kappa\in(0,6]\), respectively. The proof is analytic. The null-state PDEs and Möbius covariance yield recursion relations for the trivariate coefficient arrays. In the rainbow case, coefficient estimates give convergence and boundary regularity on the closed cube. In the neighbor case, Pfaff systems continue the local power series to a neighborhood of \([0,1)^3\), while side-face equations, regular normal estimates, and corner propagation give continuity on \([0,1]^3\) for \(\beta\ge2/3\). The endpoint \(\beta=2/3\), corresponding to \(\kappa=6\), requires a logarithmic normal term. The two-dimensional boundary degenerations are classical Appell \(F_1\) and Horn \(G_2\) functions. The probabilistic identification uses SLE martingale arguments and Itô calculus, together with positivity and boundary regularity. We also discuss boundary degenerations, including heuristic connections with boundary Green's functions.

04.
arXiv (quant-ph) 2026-06-25

Forced Gap Post-Selection for Quantum LDPC Codes and their Operations

arXiv:2605.20346v2 Announce Type: replace Abstract: We develop a simple and general post-selection strategy for high-rate quantum codes that is transferrable across decoders. After an initial baseline run, the decoder is re-run once per logical observable, and forced in these latter runs to provide a solution where the given observable has the complementary outcome. Shots are rejected that find logically complementary solutions with similar likelihoods compared to the baseline. Using the Relay-BP decoder, we benchmark the strategy on the $72$-qubit and $144$-qubit bivariate bicycle codes, as well as surgery gadgets for the latter. In comparison to previous post-selection strategies, our results offer an improved logical error rate by over a factor of $4$ on the same circuit and physical error rate, and at the same rate of post-selection. Our strategies are also lightweight, relying only on FPGA-friendly belief propagation, whereas the previous best used repeated rounds of a high-latency BP-OSD decoder.

05.
bioRxiv (Bioinfo) 2026-06-25

DextraDemixer enables accurate identification of antigen-specific T cells from pMHC multimer experiments

Antigen specificity of T cells defines the adaptive immune response, yet the vast majority of known T cell receptors (TCRs) lack annotated antigen targets. Single-cell peptide-MHC (pMHC) multimer assays offer a scalable approach to map TCR-antigen interactions. Still, their utility is limited by pervasive non-specific binding and severe overlap between signal and noise, which confound the accurate identification of antigen-specific cells. To address these limitations, we present DextraDemixer, a Bayesian hierarchical mixture model that disentangles antigen-specific T cells from background noise in pMHC multimer data. The model integrates information from negative controls and clonotype structure while providing calibrated uncertainty estimates for classification. We further introduce a dynamic thresholding scheme that enables credible interval-bounded control of the false discovery rate. Extensive benchmarking on simulated datasets and antigen-specific spike-in experiments demonstrated the model's robustness and improved accuracy over established methods. In a longitudinal SARS-CoV-2 vaccine study, DextraDemixer identified antigen-specific TCRs characterized by high sequence similarity, elevated antigen-specificity prediction scores, and strong clonal purity. Annotations showed high concordance with external validation data and supported the identification of antigen-specific motifs. Overall, DextraDemixer provides a principled probabilistic framework for reliable identification of antigen-specific TCRs from single-cell pMHC-multimer assays.

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

Analytic Torsion and Spectral Gap Capture Persistent-Laplacian Performance

arXiv:2606.16990v1 Announce Type: new Abstract: While persistent Laplacians (PL) offer a richer geometric representation of data than persistent homology, utilizing their full eigenspectrum for learning tasks is often hampered by high dimensionality and the ``varying length'' problem across different filtration scales. We propose a compact spectral representation that distills the persistent Laplacian into three mathematically grounded invariants: Betti numbers, the spectral gap, and analytic torsion. Across benchmark datasets including MNIST, QM-3D, and SKEMPI WT, we demonstrate that this reduced feature space captures the essential predictive signal of the full spectrum, and in some cases outperforms it, while significantly reducing computational overhead and preventing the noise introduced by higher-frequency eigenvalues. Our results suggest that these invariants provide a principled, fixed-length interface between spectral geometry and topological learning.

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

Towards Verifiable Agentic Data Science: Solving Irregular TSQA Via Tool-Grounded Reasoning

arXiv:2606.15107v1 Announce Type: new Abstract: Time series data in real-world deployments is overwhelmingly irregular. Observations are asynchronous, missing values are informative rather than random, and sampling frequencies vary across sensors and operational windows. However, existing Time Series Question Answering (TSQA) benchmarks mostly assume regularly sampled inputs, leaving a fundamental gap in understanding how large language models (LLMs) and AI agents perform under irregular conditions. To bridge this gap, we introduce IRTS-ToolBench, a benchmark of 1,700 questions spanning 10 task types across 13 domains. IRTS-ToolBench is designed to be used independently by any researcher working on LLM-based irregular time series analysis, providing standardized inputs and a reproducible evaluation protocol. Code can be found in https://github.com/SanhornC/IRTS-ToolBench.

08.
arXiv (CS.CV) 2026-06-18

Moving Beyond Diversity: Visual Token Pruning as Subspace Reconstruction for Efficient VLMs

Despite their remarkable performance, Vision Language Models (VLMs) incur substantial computational overhead due to the large number of visual tokens. While diversity maximization has become a dominant strategy for token reduction, existing methods rely on cosine-based normalized similarity that discards magnitude information, failing to faithfully approximate the original feature representation and leading to suboptimal performance, particularly on compositional multi-skill reasoning tasks. In this paper, we introduce SPARE, a subspace reconstruction method that reformulates token pruning as a column subset selection problem and explicitly minimizes reconstruction error. By iteratively selecting tokens with large projection residuals, SPARE performs reconstruction-driven pruning beyond angular diversity. Moreover, we reveal a counterintuitive anti-relevance phenomenon: tokens with lower image-text relevance score can better preserve contextual information. Based on this finding, we incorporate anti-relevance into SPARE as an additional selection criterion to promote context-aware token selection. Extensive experiments across multiple VLMs and benchmarks demonstrate that SPARE consistently achieves state-of-the-art performance, with strong gains on compositional tasks. When applied to LLaVA, SPARE removes up to 94% of visual tokens while retaining 95% of the baseline performance, all in a fully training-free manner.

09.
arXiv (CS.CL) 2026-06-11

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

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

10.
arXiv (math.PR) 2026-06-25

A functional central limit theorem for kernel gradient flow and infinitesimal gradient boosting

arXiv:2606.25494v1 Announce Type: new Abstract: Building on the large-sample analysis of infinitesimal gradient boosting (Dombry and Duchamps, 2024b), we study the fluctuations of the process around its deterministic limit and establish a functional central limit theorem: the rescaled deviations converge in distribution to a Gaussian process. The analysis is carried out in a reproducing kernel Hilbert space (RKHS) naturally associated with the softmax gradient tree base learner, in which the boosting process is characterized as the solution of an autonomous ordinary differential equation (ODE). The proof rests on a general stochastic perturbation analysis of ODEs in Banach spaces, which is of independent interest: whenever a sequence of vector fields converges and satisfies a central limit theorem, so does the associated ODE solution. We first illustrate this perturbation approach in the simpler setting of kernel gradient flow, where the Gaussian limit admits an explicit characterization, and then consider the more complicated tree-based gradient boosting setting.

11.
arXiv (quant-ph) 2026-06-24

Active interference suppression in frequency-division-multiplexed quantum gates via off-resonant microwave tones

arXiv:2601.14547v3 Announce Type: replace Abstract: The increasing number of control lines connecting quantum processors to external electronics constitutes a major bottleneck in the realization of large-scale quantum computers. Frequency-division multiplexing is expected to enable control of multiple qubits through a single microwave cable; however, interference from off-resonant microwave tones hinders precise qubit control. Here, we propose an active interference suppression method for frequency-division-multiplexed simultaneous gates on microwave-controlled qubits. We demonstrate that the deliberate incorporation of off-resonant microwave tones improves single-qubit gate fidelity. In particular, the gate infidelity scales inversely with the square of the number of microwave tones when off-resonant orthogonal or quasi-orthogonal tones are incorporated. Furthermore, we show that fast oscillations, neglected under the rotating wave approximation, degrade the gate fidelity, and that this degradation can be mitigated through optimized frequency allocation. The proposed approach is simple and effective for improving the performance of frequency-division-multiplexed quantum gates.

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

From geometry to dynamics: Learning overdamped Langevin dynamics from sparse observations with geometric constraints

arXiv:2512.23566v2 Announce Type: replace-cross Abstract: How can we learn the laws underlying the dynamics of stochastic systems when their trajectories are sampled sparsely in time? Existing methods either require temporally resolved high-frequency observations, or rely on geometric arguments that apply only to conservative systems, limiting the range of dynamics they can recover. Here, we present a new framework that reconciles these two perspectives by reformulating inference as a stochastic control problem. Our method uses geometry-driven path augmentation, guided by the geometry in the system's invariant density to reconstruct likely trajectories and infer the underlying dynamics without assuming specific parametric models. Applied to overdamped Langevin systems, our approach accurately recovers stochastic dynamics even from extremely undersampled data, outperforming existing methods in synthetic benchmarks. This work demonstrates the effectiveness of incorporating geometric inductive biases into stochastic system identification methods.

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

Active Inference with a Self-Prior in the Mirror-Mark Task

arXiv:2604.09673v2 Announce Type: replace-cross Abstract: The mirror self-recognition test evaluates whether a subject touches a mark on its own body that is visible only in a mirror, and is widely used as an indicator of self-awareness. In this study, we present a computational model in which this behavior emerges spontaneously through a single mechanism, the self-prior, without any external reward. The self-prior, implemented with a Transformer, learns the density of familiar multisensory experiences; when a novel mark appears, the discrepancy from this learned distribution drives mark-directed behavior through active inference. A simulated infant, relying solely on vision and proprioception without tactile input, discovered a sticker placed on its own face in the mirror and removed it in approximately 70% of cases without any explicit instruction. Expected free energy decreased significantly after sticker removal, confirming that the self-prior operates as an internal criterion for distinguishing self from non-self. Cross-modal sampling further demonstrated that the self-prior captures visual–proprioceptive associations, functioning as a probabilistic body schema. These results provide a concise computational account of the key behavior observed in the mirror test and suggest that the free energy principle can serve as a unifying hypothesis for investigating the developmental origins of self-awareness. Code is available at: https://github.com/kim135797531/self-prior-mirror

14.
arXiv (CS.CV) 2026-06-25

A Leakage-Aware Comparative Benchmark of Machine Learning, Deep Learning, and Transformer Models for Reliable Leukemia Detection

Automated classification of acute lymphoblastic leukemia (ALL) from peripheral blood smear images has often reported near-perfect performance on the C-NMC 2019 dataset. We show that such results can be inflated by patient-level data leakage caused by random image-level partitioning, where cells from the same subject may appear in both training and test folds. We establish a leakage-aware benchmark under a strict subject-disjoint protocol, comparing LightGBM, RBF-SVM, EfficientNet-B0, EfficientNet-B1, and ViT-Tiny. Models are developed using three subject-disjoint folds from 73 subjects and evaluated on an external preliminary-phase test set of 1,867 images from 28 unseen subjects with zero patient overlap. Beyond discrimination, we assess calibration using expected calibration error, Brier score, and temperature scaling. Under honest evaluation, EfficientNet-B1 achieves the best performance, with AUROC 0.913, sensitivity 0.87, specificity 0.80, and calibrated ECE 0.024. Frozen-feature classifiers and ViT-Tiny show high sensitivity but poor specificity, indicating a tendency to over-predict the malignant class. A random-versus-subject-disjoint ablation shows that random splitting inflates AUROC by about 0.04 even in the conservative frozen-feature setting. These findings caution against image-level evaluation on C-NMC 2019 and provide a reproducible, calibration-aware benchmark for future work.

15.
arXiv (CS.LG) 2026-06-11

Few-Shot Resampling for Scalable Statistically-Sound Data Mining

arXiv:2606.11235v1 Announce Type: new Abstract: A key step in knowledge discovery is the evaluation of data mining results. In several applications, including pattern mining, graph analysis, and others, this step includes the evaluation of the statistical significance of the results, to avoid spurious discoveries due only to noise or random fluctuations in the data. While specialized procedures have been developed for some specific applications, resampling-based approaches are widely used, in particular for complex analyses where analytical results cannot be derived. However, current resampling-based approaches require the generation and analysis of thousands of resampled datasets, and are therefore impractical for large datasets or computationally intensive analyses. In this paper, we introduce FewRS, a simple and effective resampling-based approach to assess the statistical significance of data mining results with rigorous guarantees on the probability of false discoveries. Our approach can be used in every situation where resampling-based approaches are applied. FewRS builds on our derivation of a novel bound to the supremum deviation of test statistics representing the quality of data mining results. We prove that FewRS needs to generate and analyze an extremely small number of resampled datasets, leading to a highly scalable approach with wide applicability. We test our approach on common tasks such as pattern mining and network analysis. In all cases, our approach results in a reduction of up to two orders of magnitude in running time compared to the state of the art, while preserving high statistical power, enabling the statistical validation of data mining results on large-scale real-world datasets.

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

Phase-Aware Guidance Injection for Recurrent MAPPO in Assembly-Line Disruption Recovery

arXiv:2606.16330v1 Announce Type: new Abstract: Disruption recovery in industrial assembly lines requires timely decisions under machine faults, worker absence, and emergency orders. Existing methods either rely on rigid handcrafted recovery logic or learn adaptive policies that do not readily exploit heterogeneous external recovery knowledge at decision time to reduce abnormal recovery time (ART) and preserve on-time delivery (OTD). To address this gap, we propose a phase-aware guidance injection framework that augments a trained recurrent MAPPO (RMAPPO) scheduling policy through logit-level action bias during evaluation. The framework provides a unified decision-time interface for rule-based, replay-based, and online LLM-based guidance, while activating intervention only during abnormal and recovery phases. Experiments on a custom AssemblyLineEnv show that high-quality rule guidance yields the strongest gains, replay-based guidance degrades smoothly under imperfect availability, and online LLM guidance still provides useful intermediate improvements. These results show that decision-time guidance injection can exploit heterogeneous recovery hints without redesigning the actor.

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

Local correlations in long-range dual-unitary kicked Hamiltonian chains

arXiv:2606.13857v1 Announce Type: new Abstract: Many-body Floquet models with exact space–time symmetry, such as the kicked Ising spin chain (KIC), provide natural examples of systems with dual-unitary dynamics. The requirement of exact space–time symmetry is, however, highly restrictive, as it permits only nearest-neighbor interactions. Based on a pair of Hadamard matrices, we construct a wide family of dual-unitary kicked spin chains with long-range interactions. We show that local two-point correlations in such models propagate along the light-cone edges \( |n| = r|t| \), where \(r\) is the interaction range, and can be derived analytically for operators with local support. This approach is illustrated using the example of a kicked Ising spin chain with next-to-next-neighbor interactions.

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

RAMEN: Resolution-Adjustable Multimodal Encoder for Earth Observation

Earth observation (EO) data spans a wide range of spatial, spectral, and temporal resolutions, from high-resolution optical imagery to low resolution multispectral products or radar time series. While recent foundation models have improved multimodal integration for learning meaningful representations, they often expect fixed input resolutions or are based on sensor-specific encoders limiting generalization across heterogeneous EO modalities. To overcome these limitations we introduce RAMEN, a resolution-adjustable multimodal encoder that learns a shared visual representation across EO data in a fully sensor-agnostic manner. RAMEN treats the modality and spatial and temporal resolutions as key input data features, enabling coherent analysis across modalities within a unified latent space. Its main methodological contribution is to define spatial resolution as a controllable output parameter, giving users direct control over the desired level of detail at inference and allowing explicit trade-offs between spatial precision and computational cost. We train a single, unified transformer encoder reconstructing masked multimodal EO data drawn from diverse sources, ensuring generalization across sensors and resolutions. Once pretrained, RAMEN transfers effectively to both known and unseen sensor configurations and outperforms larger state-of-the-art models on the community-standard PANGAEA benchmark, containing various multi-sensor and multi-resolution downstream tasks. Our code and pretrained model are available at https://github.com/nicolashoudre/RAMEN.

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

Observation of Non-Gaussian Magnon Dynamics in a Two-Dimensional Long-Range XY Model

arXiv:2606.13499v1 Announce Type: new Abstract: Non-Gaussian evolution of high-order spin correlations characterizes important properties of quantum many-body systems. In practice, decoherence, statistical fluctuation and miscalibration of experimental parameters all hinder the witness of non-Gaussian dynamics. Here we demonstrate the crossover between Gaussian and non-Gaussian dynamics on a two-dimensional XY model with long-range and spatially structured interaction using a trapped ion quantum simulator. We prepare different initial densities of magnon excitations and verify the dynamics of single-spin observables for the engineered Hamiltonian. Then we compare the high-order spin correlations with the mean-field solution and the Holstein-Primakoff approximation, and demonstrate the non-Gaussian behavior in a way independent of the calibration errors. Our work provides a verifiable path from classically simulatable dynamics to regimes where quantum advantage may emerge.

20.
arXiv (CS.AI) 2026-06-19

TelcoAgent: A Scalable 5G Multi-KPM Forecasting With 3GPP-Grounded Explainability

arXiv:2606.19821v1 Announce Type: new Abstract: Key Performance Measurement (KPM) forecasting is essential for proactive network management of 5G and next-generation telecom networks. However, existing machine learning (ML) approaches face significant limitations in scalability and explainability, restricting their effectiveness in real-world deployments. We propose TelcoAgent, a foundation model-based framework that enables accurate, scalable, and explainable forecasting of multiple KPMs across diverse network cells without the need for site-specific training. Specifically, the framework comprises three key components: (i) an automated three-agent pipeline that constructs a 3rd Generation Partnership Project (3GPP) knowledge graph directly from specification documents, (ii) a scalable, time-series foundation model (TSFM)-based prediction pipeline to deliver accurate, zero-shot forecasting, and finally (iii) a reasoning and explanation pipeline that provides actionable, domain-grounded diagnostics. Evaluated using a 3-month, real-world, city-scale 5G KPM dataset from a U.S.-based network operator, TelcoAgent demonstrates high forecasting accuracy for all 7 considered KPMs per cell across 200 cells, while delivering explainable insights and actionable instructions to address network degradations.

21.
arXiv (CS.AI) 2026-06-24

Attention in Motion: Secure Platooning via Transformer-based Misbehavior Detection

arXiv:2512.15503v3 Announce Type: replace-cross Abstract: Vehicular platooning promises transformative improvements in transportation efficiency and safety through the coordination of multi-vehicle formations enabled by Vehicle-to-Everything (V2X) communication. However, the distributed nature of platoon coordination creates security vulnerabilities, allowing authenticated vehicles to inject falsified kinematic data, compromise operational stability, and pose a threat to passenger safety. Traditional misbehaviour detection approaches, which rely on plausibility checks and statistical methods, suffer from high False Positive (FP) rates and cannot capture the complex temporal dependencies inherent in multi-vehicle coordination dynamics. We present Attention In Motion (AIMformer), a transformer-based framework specifically tailored for real-time misbehaviour detection in vehicular platoons with edge deployment capabilities. AIMformer leverages multi-head self-attention mechanisms to capture intra-vehicle temporal dynamics, with a spatio-temporal variant that further models inter-vehicle spatial correlations. It incorporates global positional encoding with vehicle-specific temporal offsets to handle join/exit maneuvers. We propose a Precision-Focused Binary Cross-Entropy (PFBCE) loss function that penalizes FPs to meet the requirements of safety-critical vehicular systems. Extensive evaluation across 4 platoon controllers, multiple attack vectors, and diverse mobility scenarios demonstrates superior performance ($\geq$ 0.93) compared to state-of-the-art baseline architectures. A comprehensive deployment analysis utilizing TensorFlow Lite (TFLite), Open Neural Network Exchange (ONNX), and TensorRT achieves sub-millisecond inference latency, making it suitable for real-time operation on resource-constrained edge platforms. Hence, validating AIMformer is viable for both in-vehicle and roadside deployment.

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

ASTEROID: A Spatiotemporal Information Transformer for Forecasting Multi-Step Time Series of Molecular Dynamics

arXiv:2606.17668v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulation is computationally demanding, particularly for large-scale systems requiring long-term analysis. Accurate forecast of the outcomes of a MD simulation is not only an attractive scientific challenge but also has substantial practical value. In this work, we developed a data-driven framework, termed ASTEROID (Advanced Spatiotemporal TransformER fOr Inferring Dynamics), that can directly predict multi-step atomic coordinates, avoiding conventional iterative integration. For this purpose, our ASTEROID reformulates MD trajectories as high-dimensional spatiotemporal sequences and integrates the Spatiotemporal Information (STI) Transformation equation into a Transformer architecture. The core innovation of ASTEROID lies in its ability to model multiscale spatiotemporal dependencies. In particular, for spatial dependencies, a local-global self-attention mechanism captures both short- and long-range interactions. For temporal dependencies, an encoder-decoder structure integrates global context with autoregressive forecasting. ASTEROID was evaluated on several quantum-mechanics derived molecular datasets. Our results indicate that ASTEROID achieved not only a higher level of accuracy in multi-step prediction than existing methods on various benchmarks, but also significantly reduced computational cost of conventional MD simulation. Moreover, the model supports iterative multi-step forecasting over an extended time scale. This work establishes a robust and generalizable data-driven paradigm for accelerating MD simulations.

23.
arXiv (CS.CV) 2026-06-24

MSPL: Multi-Step Pseudo-Labeling for Open-Vocabulary Object Detection

Open-vocabulary object detection (OVD) aims to recognize and localize object categories beyond the training set. Recent approaches leverage vision-language models to generate pseudo-labels using image-text alignment, allowing detectors to generalize to unseen classes without explicit supervision. However, these methods depend heavily on single-step image-text matching, neglecting the intermediate reasoning steps crucial for interpreting semantically complex visual contexts, such as crowding or occlusion. In this paper, we introduce MSPL, a framework that incorporates multi-step visual reasoning into the pseudo-labeling process for OVD. It decomposes complex scene understanding into three interpretable steps-object localization, category recognition, and background grounding-where these intermediate reasoning states serve as rich supervision sources. Extensive experiments on standard OVD evaluation protocols demonstrate that MSPL achieves state-of-the-art performance with superior pseudo-labeling efficiency, outperforming the strong baseline by 9.4 AP50 for novel classes on OV-COCO and improving box and mask APr by 3.2 and 2.2, respectively, on OV-LVIS. Code and models are available at https://github.com/hchoi256/mspl.

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

Metric Match: A Subset Selection Approach to Evaluating LLM Judge Reliability

arXiv:2606.15029v1 Announce Type: new Abstract: LLM judges are used to reduce the need for costly human labor in evaluating open-ended text generation. However, the reliability of these judges depends critically on their alignment with human raters – a property that itself depends on costly human annotations. In this work, we develop a method (Metric Match) for estimating correlation-based reliability metrics of LLM judges from limited annotations. Metric Match selects a subset of samples for human annotation such that the subset matches the population reliability metric with respect to acquired synthetic labels. We empirically show that Metric Match achieves a win-rate of 0.838 against random subset selection across four different correlation metrics and 15 datasets, with an 18.7% decrease in average estimation error and reduces annotation needs by 32.5%. We provide a cost model and highlight a medical case study where our method saves $1,041.67 compared to random selection for expert annotation. Further, we shift our task from reliability estimation to reliability classification of whether a given judge is above a deployment threshold, outperforming random selection with Metric Match. All project code is publicly available, and we additionally provide an installable package for ease of use.

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

DeepRHP: A Hybrid Variational Autoencoder for Designing Random Heteropolymers as Protein Mimics

arXiv:2606.11651v1 Announce Type: new Abstract: Synthetic random heteropolymers (RHPs), consisting of a predefined set of monomers, offer an approach toward the design of protein-like materials. These RHPs, if designed appropriately, can mimic protein behavior and function. As such, there is a need for computational tools to efficiently guide RHP design. We bridge this gap by developing DeepRHP, a modified variational autoencoder (VAE) model under a semi-supervised framework. By equipping a classical VAE with an additional feature-based VAE, DeepRHP forces the latent space to capture structures of critical chemical features as well as individual RHP sequence patterns. In this sense, our method is versatile by allowing any relevant features to be incorporated in a hybrid manner. We demonstrate the effectiveness of DeepRHP by suggesting potential monomer compositions that stabilize membrane proteins (e.g. Aquaporin Z) in non-native environments and cross-validating our prediction with published results. The concordance between our model and true RHP function suggests strong potential in utilizing hybrid autoencoder architectures to guide RHP design for proteins and other biological compounds.