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01.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2603.12261

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

作者:

Mateusz Pach↗Jessica Bader↗Quentin Bouniot↗Serge Belongie↗Zeynep Akata↗

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.

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02.

arXiv (quant-ph) 2026-06-17 DOI: arXiv:2512.13835

Microwave-free vector magnetometry and crystal orientation determination with Nitrogen-Vacancy centers using Bayesian inference

作者:

Hilario Espin\'os↗Omkar Dhungel↗Arne Wickenbrock↗Dmitry Budker↗Ricardo Puebla↗Erik Torrontegui↗

arXiv:2512.13835v2 Announce Type: replace Abstract: Nitrogen-vacancy (NV) centers in diamond provide a solid-state platform for quantum sensing. While optically detected magnetic resonance techniques offer high sensitivity, their reliance on microwaves introduces heating and stray electromagnetic fields that can perturb nearby samples. Optical approaches based on cross-relaxation between differently oriented NV centers remove this constraint but have so far required stringent alignment of the external field with crystallographic axes, restricting their practicality. Here we introduce a general framework for microwave-free vector magnetometry at near-zero field that leverages Bayesian inference to extract both the magnetic field vector and the NV orientation directly from photoluminescence maps. An analytical model of cross-relaxation resonances enables efficient inference under arbitrary field and orientation configurations, while naturally incorporating the discrete degeneracies of the NV symmetry. We experimentally demonstrate robust orientation determination and vector-field reconstruction, establishing a general route toward compact and alignment-free NV magnetometers for practical sensing applications.

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03.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2606.14679

Optimal Hidden-Target Learning for Online Inventory Optimization on General Convex Sets

作者:

Anthony Pineci↗Yunzong Xu↗

arXiv:2606.14679v1 Announce Type: new Abstract: Online inventory optimization (OIO) is online convex optimization with physical memory: inventory carryover makes the feasible action set depend on the past. A natural principle, used in stochastic inventory learning and recently in OIO under a single linear capacity constraint, is to maintain a hidden target chosen by an online learner and implement its projection onto the currently feasible order-up-to set. We prove that this simple principle is optimal for OIO on arbitrary bounded convex capacity sets. With online gradient descent as the base learner, the method improves the best known regret guarantee for OIO on general convex sets from inverse to inverse-square-root dependence on the common-demand probability, and we prove a matching lower bound. The same principle gives the first polylogarithmic regret guarantee for strongly convex losses and the first dynamic regret guarantee adapting to Euclidean path variation on general convex capacity sets. The analysis introduces a norm alignment principle: the right state variable is the distance from the hidden target to the feasible set, measured in the same norm as the projection. Under norm alignment, this distance evolves pathwise as a scalar queue, with target movement as arrival and common demand as service. This reduction to one-dimensional queue control resolves the state dependence and extends the guarantees to general convex capacity sets, beyond the reach of prior productwise approaches. Experiments on synthetic and real-world inventory data corroborate the theory.

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04.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.13968

STREAM: Multi-Tier LLM Inference Middleware with Dual-Channel HPC Token Streaming

作者:

Anas Nassar↗Steve Mohr↗Leonard Apanasevich↗Himanshu Sharma↗

arXiv:2606.13968v1 Announce Type: cross Abstract: Researchers and practitioners working with large language models face a fragmented landscape: local models are free and private but hardware limits the model size and context windows a researcher can use; institutional HPC centers offer powerful GPU resources at no marginal cost and keep data within institutional boundaries, but operate behind firewalls and are designed for batch jobs rather than interactive use; commercial cloud APIs provide frontier-model quality on demand but impose significant cost and data retention policies unsuitable for sensitive research data. No existing system unifies all three. STREAM (Smart Tiered Routing Engine for AI Models) addresses this gap with four contributions: (1) a three-tier routing architecture combining local, HPC, and cloud inference with a local LLM-based complexity judge; (2) a dual-channel HPC streaming architecture that separates the Globus Compute control plane (authentication and job dispatch) from a WebSocket relay data plane (token delivery), enabling sub-second TTFT (0.54 s median, 21.1x over batch mode's 11.40 s) through institutional firewalls without VPN or firewall rule changes, with end-to-end AES-256-GCM encryption ensuring the relay operator cannot read token payloads; (3) tier-aware context summarization that prevents long conversations from forcing simple queries onto expensive tiers; and (4) an HPC-as-API proxy mode that exposes HPC inference as an OpenAI-compatible endpoint callable from any standard client with no HPC expertise, a deployment pattern made practical only by the sub-second TTFT of contribution (2). Llama 3.2 3B achieves 85.1% free-tier retention on a 1,200-query benchmark spanning ten domains. Measured TTFT: 0.26 s local, 0.54 s HPC (relay), 1.68 s cloud.

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05.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.15570

An Extensive Benchmark for Single-round and Multi-round Instruction-based Image Editing

作者:

Yiwei Ma↗Ke Ye↗Weihuang Lin↗Jiayi Ji↗Xiaoshuai Sun↗Tat-Seng Chua↗Rongrong Ji↗

In recent years, there have been notable advancements in the area of instruction-based image editing (IIE), which focuses on the automatic alteration of input images using a model. Nevertheless, assessing the effectiveness of these editing models poses a considerable challenge due to the intricate nature of instructions and the wide variety of edits. To tackle this problem, one urgent task in this domain is the development of a robust evaluation framework that can precisely gauge the quality of editing outcomes and offer valuable benchmarks to guide future improvements. To address this challenge, we present a comprehensive evaluation benchmark named I2EBench2.0, designed for single-round and multi-round assessment of IIE models. I2EBench2.0 has four key features: 1) Evaluation Across Single and Multi-rounds: I2EBench2.0 simultaneously evaluates both single-round and multi-round instruction-based edits, assessing the precision and consistency of the edits. 2) Extensive Evaluation Criteria: I2EBench2.0 encompasses a broad range of criteria, evaluating both high-level and low-level aspects of each IIE model. Specifically, it incorporates 16 dimensions for single-round evaluations and 7 for multi-round evaluations. 3) Alignment with Human Judgment: To ensure our benchmark aligns with human evaluation, we conducted a comprehensive user study for each criterion. 4) Research-driven Insights: By analyzing the strengths and weaknesses of current IIE models across all 16 single-round and 7 multi-round dimensions, we provide critical insights aimed at directing future research in this area. We tested eight recently developed IIE models using I2EBench2.0 and derived academic insights through meticulous comparison and analysis. The related code, dataset, and images generated by all IIE models are available on GitHub: https://github.com/cocoshe/I2EBench.

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06.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2606.10401

CoCoSI: Collaborative Cognitive Map Construction for Spatial Intelligence

作者:

Yiming Zhang↗Ruoxuan Cao↗Zhihang Zhong↗

Spatial intelligence is a key frontier for multimodal large language models (MLLMs), enabling them to reason about the physical world from visual experience. Inspired by human spatial cognition, recent approaches construct grid-based cognitive maps from multi-frame visual inputs to maintain coherent spatial representations over time. However, limited context lengths still challenge spatial understanding, while existing methods, such as long-context modeling and external memory, often require architectural changes, memory modules, or finetuning, limiting their applicability to off-the-shelf pretrained MLLMs. This motivates a lightweight, model-agnostic method for preserving spatial information beyond the native context window. To this end, we propose a plug-and-play multi-agent framework that collaboratively constructs cognitive maps as structured spatial memory, enhancing the spatial understanding of arbitrary pretrained MLLMs without architectural modification or additional training. Our framework features local-global agent coordination, cognitive map construction with atomic commits, and cross-agent verification. Extensive experiments demonstrate that our method achieves superior performance on spatial understanding tasks while remaining fully training-free. Code will be released.

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07.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2605.15435

On the Stability of Growth in Structural Plasticity

作者:

Lute Lillo↗Nick Cheney↗

arXiv:2605.15435v2 Announce Type: replace Abstract: Standard deep-learning pipelines usually choose the network architecture before training and keep it fixed throughout optimization. In contrast, a model can also be adapted by editing its structure during training, for example by pruning existing hidden-neuron units or growing new ones. Although growth is appealing for adaptive and continual systems, we show that it is not simply the inverse of pruning. Pruning selects among units that have participated in training from the start, whereas growth inserts new units into an already specialized optimization trajectory. We isolate this insertion problem and show that newborn units are often forward-active but backward-starved: they participate in the forward computation, yet receive much weaker gradient signal than incumbent units. This disadvantage is minor in small MLP benchmarks, but becomes clear in harder image-classification settings with a convolutional trunk. In these settings, \textsc{Grow} can achieve high final accuracy during the structural-editing procedure, while \textsc{Prune} is stronger when performance is averaged over the training trajectory or when the final sparse network is retrained from scratch. Interventions targeting optimizer state, insertion, selection, and trainability show that improving the integration of newborn units can improve adaptive performance, but does not automatically produce better final subnetworks. In continual-learning benchmarks stressing plasticity loss, \textsc{Grow} becomes competitive mainly when new units have enough time to integrate. Together, these results suggest that \textsc{Grow} should be evaluated not only as an architecture-search operator, but as a time-sensitive optimization process whose success depends on insertion stability.

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08.

arXiv (CS.CL) 2026-06-18 DOI: arXiv:2412.15557

MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems

作者:

Aaron Guoxiang Guo↗Aldeida Aleti↗Neelofar Neelofar↗Chakkrit Tantithamthavorn↗Yuanyuan Qi↗Tsong Yueh Chen↗

With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.

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09.

arXiv (CS.LG) 2026-06-19 DOI: arXiv:2606.19496

Calibrating Generative Models to Feature Distributions with MMD Finetuning

作者:

Nathaniel L. Diamant↗Brian L. Trippe↗

arXiv:2606.19496v1 Announce Type: new Abstract: Generative models can produce individually plausible samples while deviating substantially from a target set in the distribution of key features. For example, a model pretrained on broad drug-like chemical space may generate molecules whose molecular features differ from those of a therapeutic class of interest, such as known antibiotics. Correcting such distributional miscalibration is challenging: direct finetuning on the target set can overfit and does not control which features are matched. To fill this gap, we introduce kernel Calibrating Generative Models (kCGM). kCGM minimizes a maximum mean discrepancy (MMD) between generated and target feature distributions using an unbiased score-function estimator, with KL regularization to remain close to the pretrained model. On a target set of 174 antibiotics, direct finetuning sacrifices chemical validity for feature-distribution matching, whereas kCGM improves target feature matching while increasing validity. We further demonstrate kCGM in protein and DNA generation tasks, showing it can adapt autoregressive, continuous-space diffusion, and discrete diffusion models using only feature-level supervision. Code is available at https://github.com/smithhenryd/cgm.

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10.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2605.05547

Characterizing Brazilian Atlantic Forest Restoration Outcomes with Geospatial AlphaEarth Embeddings

作者:

Alice Heiman↗

The Atlantic Forest in Brazil is a critical biodiversity hotspot, yet less than 12-15% of its original cover remains. Although monitoring forest restoration on a large scale is essential, traditional methods are limited by the impracticality of on-the-ground reporting on such a scale and by the saturation of remote-sensing indices such as NDVI. Furthermore, reforestation is a gradual process as opposed to the rapid spectral changes caused by deforestation. In this study, we examine 1,729 restoration sites in S\~ao Paulo, using satellite embeddings from the AlphaEarth Foundation's model to evaluate their effectiveness in characterising early restoration success. We introduce the concept of a 'Reference Trajectory Embedding', defining a metric of restoration success based on cosine similarity to reference sites of mature secondary forest. We observe distinct clusters in embedding space according to different land use and land cover (LULC) types, and we can identify sites with clear change vectors. However, the signal can be noisy, and embeddings may require further fine-tuning to capture and predict site metadata beyond LULC.

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11.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2606.11256

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

作者:

C\'esar Ojeda↗Darius A. Faroughy↗Maryam Karimi↗Payam Zarrintaj↗Mir Mehdi Seyedebrahimi↗Mart\'in Carballo-Pacheco↗

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

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12.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2606.11676

Neural-Parameterized Cellular Automata for Wildfire Spread

作者:

Maksym Zhenirovskyy↗Ion Matei↗Rohit Vuppala↗Takuya Kurihana↗Hon Yung Wonga↗

arXiv:2606.11676v1 Announce Type: cross Abstract: Traditional wildfire models rely on rigid, low-dimensional parameters and static fuel maps, frequently underpredicting fire spread. To address this weakness, we introduce a hybrid deep-learning parameterized Probabilistic Cellular Automata (CA) framework implemented in JAX. Our approach employs a Multi-Scale Convolutional Neural Network to dynamically generate spatially varying parameters that govern fire-spread probability, wind alignment, and slope influence. This hybrid design captures complex, nonlinear environmental interactions while preserving the physical interpretability of the underlying three-state CA. The JAX implementation enables hardware acceleration and gradient-based parameter calibration. Evaluated on six large-scale wildfires in the western United States, the model maintains IoU > 0.6 over 72-hour forecast horizons after a 10-day data assimilation window during which the model is fitted incrementally to observed perimeters; the resulting forecast is a conditional projection of fire growth under the suppression regime already ncoded in those observations.

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13.

bioRxiv (Bioinfo) 2026-06-20 DOI: HASH:52e8367f8aa3db295f94b970d617a8f5

A network approach to DNA methylation clocks

作者:

Carcedo↗Yang↗S.-G↗Smiljanic↗Neunman↗Wennstedt↗Degerman↗Lizana↗

Biological age predicts health and lifespan better than chronological age, but remains difficult to measure. One leading molecular proxy for biological age is DNA methylation, which underlies age predictors known as "clocks". These clocks use penalized linear regression to predict chronological age from methylation levels using selected cytosine–guanine pairs (CpGs) along DNA. Although they predict chronological age within a few years and track mortality risk, there are several issues. Different clocks share a vanishingly small number of CpG sites, many of which show weak associations with age. Also, the clocks often do not transfer across methylation array platforms. This paper takes a network approach to better understand these issues. By using 12 public datasets from human blood, we build a co-methylation network of the sites that show the strongest age correlation. After pruning weak links, we find that it has a small number of large modules of covarying CpGs surrounded by many small modules and singleton sites. These modules are biologically interpretable, as they are associated with CpG island contexts and enriched for distinct Gene Ontology functions. We also map five established clocks onto this network (Horvath, Hannum, AltumAge, Skin & Blood, and Han) and find that they select some CpGs from the same module. This suggests that they are more similar than they appear. The network structure also suggests new ways to build clocks. A simple clock that retains one CpG per module matches the performance of established clocks. A second one, built from module-level principal components, outperforms all five established clocks in three validation cohorts and is transferable across array platforms (Illumina Infinium Methylation 450K or EPIC arrays). Overall, the network perspective shifts attention from individual CpG sites to modules of covarying sites. This perspective helps explain why DNA methylation clocks perform so well despite their differences and provides a more systematic approach for developing the next generation of aging biomarkers.

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14.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15327

Semantic DLM+: Improving Diffusion Language Models through Bias-variance Trade-off in Transition Kernel Design

作者:

Keyue Jiang↗Yuxiang Wang↗Yanan Zhao↗Xiang Yu↗Qifang Zhao↗Bohan Tang↗Baojian Zhou↗Yanghua Xiao↗Lin Qu↗Xiaoxiao Xu↗

arXiv:2606.15327v1 Announce Type: new Abstract: Diffusion Language Models (DLMs) have demonstrated strong scaling capacity as alternatives to autoregressive language models. However, their performance is highly sensitive to the choice of transition kernels, and poorly designed kernels can lead to issues like training instability, slow convergence, and biased sampling. In this paper, we study this sensitivity through a principled analysis of generalization error and identify three critical factors: asymptotic bias (difficulty in approximating the posterior distribution), exposure bias (error propagation during sampling), and optimization variance induced by kernel dispersion. We further compare different transition kernels: masking diffusion yields sparse and easier posterior-approximation targets, while uniform diffusion provides stronger sampling-side repair but induces harder approximation. Motivated by this trade-off, we revisit a previously overlooked variant, semantic DLM (SemDLM), where the transition kernel corrupts tokens to neighborhoods that are semantically similar. Our theory suggests that SemDLM can serve as a plausible middle ground by reducing the posterior approximation difficulty of uniform diffusion while retaining repair ability. However, we find that SemDLM suffers from a semantic basin problem, where sampling repeatedly stays within a semantic region and produces low-diversity text. To address this, we propose SemDLM+, which adds a global transition and a semantic-frequency penalty during sampling. Experiments on LM1B and OpenWebText show that SemDLM+ improves training dynamics and achieves competitive language modeling and generation quality with satisfactory diversity.

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15.

arXiv (quant-ph) 2026-06-12 DOI: arXiv:2512.13651

Schrödinger Symmetry in Spherically-symmetric Static Mini-superspaces with Matter Fields

作者:

Taishi Sano↗Yuki Yokokura↗

arXiv:2512.13651v3 Announce Type: replace-cross Abstract: Schr\"{o}dinger symmetry has been shown to emerge in a ``fluid limit" from the full superspace to several mini-superspace models. To investigate one aspect of the robustness of this emergent symmetry, we consider two spherically-symmetric static mini-superspace models with matter fields at the classical level: (i) a Maxwell field with a cosmological constant and (ii) $n$ massless scalar fields. By developing a method based on canonical transformations, we demonstrate that for model (i), 3D Schrödinger symmetry emerges, and the solution is the (anti-)de Sitter Reissner-Nordström spacetime, and for model (ii), $(2+n)$D Schrödinger symmetry appears, and the solution is a generalized Janis-Newman-Winicour spacetime and its ``interior", a Kantowski-Sachs type closed universe. Furthermore, for the vacuum model, we find that 2D Schrödinger symmetry holds with different lapse functions and mini-superspace coordinates, suggesting the potential, yet unconfirmed, covariance of the symmetry. Finally, we propose a physical interpretation of the symmetry under the Hamiltonian constraint $H$: symmetry generators commuting with $H$ map a solution to another one, while those non-commuting with $H$ generate a new theory with the Schrödinger symmetry and the transformed configuration is a solution to the new theory. These results reinforce the robustness of the emergent Schrödinger symmetry and open new frontiers for exploring dynamics of matter and gravity.

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16.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.17034

KVEraser: Learning to Steer KV Cache for Efficient Localized Context Erasing

作者:

Mufei Li↗Shikun Liu↗Dongqi Fu↗Haoyu Wang↗Yinglong Xia↗Hong Li↗Hong Yan↗Pan Li↗

Post-hoc context erasing over the KV cache is challenging because a local edit has a global consequence: once a span has been processed, its influence propagates into the cached states of all subsequent tokens. This issue arises naturally in long-context LLM applications, where stale retrieved facts, incorrect tool observations, retracted user preferences, or harmful prompt injections may be identified only after prefill. Exact erasing must then recompute all tokens after the deleted span, making its computational cost depend on suffix length rather than erased-span length. We introduce KVEraser, a learned KV-cache editing method for efficient localized context erasing. Given a processed context and a span to remove, KVEraser replaces only the KV states of the erased interval with learned steering states while reusing the remaining cache unchanged. To learn a transferable erasing mechanism, we build a two-stage training pipeline: generic span-neighbor pre-training teaches the eraser to suppress the influence of the erased span, while task-specific fine-tuning adapts this capability to downstream scenarios. Experiments show that KVEraser nearly matches full recomputation in post-erasure performance on in-domain tasks across 1K–32K context lengths, while its latency increases by only 24% compared with a 17.6x increase for full recomputation. KVEraser also generalizes to unseen long-document QA tasks with harmful factual distractors, achieving the best performance among approximate baselines with a 3–4x speedup over full recomputation.

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17.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2606.14088

OQMD: Single-Qubit Rotation Control Improves Low-CNOT Multiclass Quantum Classification

作者:

Michael A. Magid↗Melissa Zeynep Ertem↗Jun Suzuki↗

arXiv:2606.14088v1 Announce Type: new Abstract: Near-term variational classifiers incur substantial error and latency from two-qubit gates, yet practitioners often assume that additional entangling depth is the default route to higher accuracy. This work studies Optimal Quantum Measurement Decoding (OQMD): optimizing how quantum outcomes are mapped to classical labels by training a readout layer before measurement, jointly with the variational circuit, without adding CNOTs. Experiments use trainable triple single-qubit rotations as one concrete, hardware-native realization of OQMD; other single-qubit parametrizations fit the same classical outer loop. On the Iris benchmark with a 30-point stratified test split, the best observed 0-CNOT configuration with OQMD reaches 83.33\% accuracy, with a 96\% at 9 CNOTs, exceeding the best 18-CNOT controls (56.67\%) and the best 18-CNOT configuration with OQMD (66.67\%) under a common protocol. A six-point CNOT-depth series from 0 to 18 (fixed optimizer, iteration budget, random-seed count, and ZXZ readout) shows that the highest raw scores need not occur at the largest template, so aggregate complexity is not summarized by CNOT count alone. Because run-level accuracies are discrete and non-Gaussian, we emphasize best-observed scores and, where a global comparison of pooled runs is required, Mann–Whitney $U$ tests rather than parametric tests on means. Across architectures, OQMD shows statistically consistent but magnitude-dependent gains: large peak lifts on minimal circuits coexist with a small pooled mean shift on complex 18-CNOT runs ($p\approx 0.03$) that is not ``universal'' in the sense of uniformly large practical effects.%

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18.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.12736

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

作者:

Tianyu Liu↗Allen Xin Wang↗Antonia Panescu↗Lisa Xinyi Chen↗Wenxin Long↗Xinyu Wei↗Yueqian Jing↗Ziyao Zeng↗Jihang Chen↗Sihan Jiang↗Ziqing Wang↗Siyi Gu↗…

arXiv:2606.12736v1 Announce Type: new Abstract: AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood. Existing benchmarks for AI agents rarely capture the complexity, heterogeneity, and extended reasoning required by scientific work, whereas benchmarks for scientific tasks often reduce research to static, direct problems and provide limited support for interactive evaluation. Here, we introduce SciAgentArena, a systematic benchmark for evaluating AI agents in real-world scientific research scenarios drawn from emerging needs across multiple domains. SciAgentArena comprises approximately 200 tasks with stepwise verification and an interactive, agent-agnostic environment for assessing diverse AI agents. Using this benchmark, we find that current agents can contribute effectively to well-specified data-analysis workflows, particularly when the task structure and evaluation criteria are clear. However, their performance remains uneven across scientific contexts: agents struggle to generate genuinely novel insights, sustain self-directed exploration, and formulate robust solutions for open-ended research questions. We further characterize common failure modes across agents and identify opportunities for improving their reliability, autonomy, and scientific reasoning. Together, SciAgentArena provides a practical framework for measuring progress in AI agents for science and for guiding the design of future agents capable of addressing complex scientific challenges. Full codes, tasks, and datasets can be accessed via this link: https://sciagentarena.github.io/.

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19.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.14724

VigilFormer: Deformable Attention for Video Anomaly Detection with Causal Risk Inference

作者:

Xinze Zhang↗

Video anomaly detection in surveillance settings must balance detection accuracy against real-time throughput, a tension that existing methods address either through stronger feature extractors or more efficient architectures, but rarely both. We present VigilFormer, a unified framework that combines deformable spatio-temporal attention with causal temporal modeling to detect anomalies in untrimmed surveillance video. The proposed Deformable Spatio-Temporal Encoder (DSTE) attends to a sparse set of informative locations across frames, avoiding the quadratic cost of dense attention while retaining the ability to capture irregular motion patterns. A Causal Anomaly Classifier (CAC) applies dilated causal convolutions over snippet-level features and optimizes a contrastive multiple-instance learning objective that separates anomalous and normal representations without frame-level labels. To meet deployment constraints, an Adaptive Confidence Scheduler (ACS) dynamically skips low-information frames at inference time, reducing redundant computation in static scenes. Evaluated on UCF-Crime, ShanghaiTech, and CUHK Avenue, VigilFormer achieves AUC scores of 87.83%, 97.21%, and 89.74% respectively, at 41.5 FPS on a single GPU, outperforming recent weakly-supervised methods in both accuracy and speed.

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20.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2602.24012

InfoNCE Induces Gaussian Distribution

作者:

Roy Betser↗Eyal Gofer↗Meir Yossef Levi↗Guy Gilboa↗

arXiv:2602.24012v2 Announce Type: replace Abstract: Contrastive learning has become a cornerstone of modern representation learning, allowing training with massive unlabeled data for both task-specific and general (foundation) models. A prototypical loss in contrastive training is InfoNCE and its variants. In this work, we show that the InfoNCE objective induces Gaussian structure in representations that emerge from contrastive training. We establish this result in two complementary regimes. First, we show that under certain alignment and concentration assumptions, projections of the high-dimensional representation asymptotically approach a multivariate Gaussian distribution. Next, under less strict assumptions, we show that adding a small asymptotically vanishing regularization term that promotes low feature norm and high feature entropy leads to similar asymptotic results. We support our analysis with experiments on synthetic and CIFAR-10 datasets across multiple encoder architectures and sizes, demonstrating consistent Gaussian behavior. This perspective provides a principled explanation for commonly observed Gaussianity in contrastive representations. The resulting Gaussian model enables principled analytical treatment of learned representations and is expected to support a wide range of applications in contrastive learning.

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21.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2602.14154

A Penalty Approach for Differentiation Through Black-Box Quadratic Programming Solvers

作者:

Yuxuan Linghu↗Zhiyuan Liu↗Qi Deng↗

arXiv:2602.14154v3 Announce Type: replace Abstract: Differentiating through the solution of a quadratic program (QP) is a central problem in differentiable optimization. Most existing approaches differentiate through the Karush–Kuhn–Tucker (KKT) system, but their computational cost and numerical robustness can degrade at scale. To address these limitations, we propose dXPP, a penalty-based differentiation framework that decouples QP solving from differentiation. In the solving step (forward pass), dXPP is solver-agnostic and can leverage any black-box QP solver. In the differentiation step (backward pass), we map the solution to a smooth approximate penalty problem and implicitly differentiate through it, requiring only the solution of a much smaller linear system in the primal variables. This approach bypasses the difficulties inherent in explicit KKT differentiation and significantly improves computational efficiency and robustness. We evaluate dXPP on various tasks, including randomly generated QPs, large-scale sparse projection problems, and a real-world multi-period portfolio optimization task. Empirical results demonstrate that dXPP is competitive with KKT-based differentiation methods and achieves substantial speedups on large-scale problems. Our implementation is open source and available at https://github.com/mmmmmmlinghu/dXPP.

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22.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.17684

Geometrical fairness in graph neural networks

作者:

Arturo P\'erez-Peralta↗Sandra Ben\'itez-Pe\~na↗Blas Kolic↗Rosa E. Lillo↗

arXiv:2606.17684v1 Announce Type: cross Abstract: Graph-based learning methods have become increasingly prominent due to their strong performance across diverse applications. Among these, recent frameworks grounded in diffusion processes provide a unifying perspective that extends traditional graph neural network formulations while addressing limitations of standard message-passing mechanisms. Despite these advances, concerns remain regarding the fairness of such models, as they may propagate or amplify biases present in the data. In this work, we introduce a fairness-aware adaptation of graph-based diffusion by modifying the underlying Laplacian operator. Our approach incorporates multiple complementary transformations, including subspace projections, spectral adjustments, and frequency-based filtering, to mitigate bias-related components. Leveraging the intrinsic smoothing properties of graph diffusion, we provide a principled analysis of the resulting behavior and establish theoretical insights into fairness properties. We evaluate the proposed framework on both synthetic and real-world datasets, demonstrating that it achieves competitive performance while improving fairness metrics with limited additional computational cost.

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23.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.11201

To Intervene or Not: Guiding Inference-time Alignment with Probabilistic Model Blending

作者:

Jin Gan↗Xin Li↗Jun Luo↗

The wide deployment of LLMs has made model alignment necessary to make newly trained models safely and effectively respond to user instructions. Among different methods, inference-time alignment is often cheaper as it intervenes (i.e., offers guidances) only during output generation. Existing proposals apply guidances extracted from certain aligned models without properly assessing their reliability. Nonetheless, our systematic evaluation reveals that guidance effectiveness varies drastically across models; since ineffective guidances lead to further confusion and thus further interventions, the resulting excessive interventions typically indicate poor performance. To make interventions more effective and thus more efficient, we introduce BlendIn, an inference-time alignment framework that shifts from binary decisions to creating hybrid distributions integrating both models' knowledge. BlendIn stabilizes inference-time alignment by performing quality-aware alignment and proportionally weighting each model's contribution based on reliability. Compared with existing works, it preserves beneficial guidance while downweighting unreliable suggestions. BlendIn provides both diagnostic signals and mitigation strategies for misaligned guidance, achieving consistent and up to 50% performance improvement on challenging model pairs. Our code is available at: https://github.com/DecayingSeart/BlendIn.

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24.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.17384

Improving and Evaluating Hand-Object Interaction Detection

作者:

Ahmad Darkhalil↗Dima Damen↗David Fouhey↗

Understanding hands and the objects they interact with, both directly and through tools, is a key step for tasks ranging from action perception to 3D reconstruction and robotics. Our paper provides several contributions to the Hand-Object Interaction (HOI) understanding literature: (1) HOI-DETR, a new framework that introduces hand-object and object-object interactions to the Co-DETR architecture to produce a state-of-the-art method; (2) a comprehensive HOI evaluation suite of 4 diverse datasets, including a video benchmark derived from the HD-EPIC dataset and fresh annotations that improve the Hands23 benchmark and (3) a trained checkpoint that significantly improves the state of the art across Hands23, HOIST, FineBio, and HD-EPIC, including mAP gains of over 20 percentage points on Hands23 and FineBio. Our ablations confirm the contributions of each model component.

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25.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.17529

Domain-Validity-Gated Metamorphic Testing of Scientific ML Surrogates

作者:

Meng Li↗Xiaohua Yang↗Jie Liu↗Shiyu Yan↗

arXiv:2606.17529v1 Announce Type: cross Abstract: Scientific machine-learning (SciML) surrogates approximate expensive simulations, but exact expected outputs for arbitrary inputs are unavailable (the oracle problem). Metamorphic testing checks relations across executions, yet a candidate relation is not automatically valid: its preconditions, output mapping, and the numerical floor of the scoring operator determine whether a violation is meaningful. We study how candidate metamorphic relations (MRs) can be screened for domain validity and turned into executable, oracle-free test assets for SciML surrogates. We propose (i) a domain-validity rubric that admits a candidate only when its tolerance dominates the operator's numerical floor and its preconditions hold; (ii) an MR-card executable-asset format recording source cases, transformations, metrics, tolerances, and typed relation-level verdicts; and (iii) a case-study protocol on MeshGraphNets cylinder-flow surrogates, with a claim ledger binding every result to a tracked artifact. On a MeshGraphNets checkpoint, node permutation holds to machine precision, mirror-y is a bounded out-of-distribution stress finding rather than an exact symmetry, and absolute conservation stays deferred while a reference-relative guard passes. The same readings hold across held-out trajectories, a checkpoint roster, three further architectures, and PhysicsNeMo. On a second CFD task (compressible airfoil) the predicate instead rejects incompressible continuity on physical grounds, showing it reasons about domain validity rather than running a fixed checklist. On a second PDE family, FNO Burgers and heat surrogates run full admit/reject/execute verdicts. The evidence spans two CFD tasks and a second PDE family, supporting a validity-aware bridge from candidate MRs to auditable SciML test assets that separates model-level violations from out-of-domain applications.

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