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

ResAware: Cross-Environment Website Fingerprinting via Resource-Privileged Distillation

arXiv:2606.17462v1 Announce Type: new Abstract: While Website Fingerprinting (WF) attacks achieve high accuracy in controlled laboratory settings, they often degrade substantially in real-world environments due to spatio-temporal drift, browser heterogeneity, proxy obfuscation and etc. This limitation stems from their sole reliance on low-level traffic features that are noisy and highly sensitive to environmental perturbations. To address this problem, we propose ResAware, a cross-environment resource-aware distillation framework under a training-rich/inference-poor asymmetric setting. Specifically, ResAware trains a teacher model on resource-level features, and then distills the resulting privileged knowledge into a student model through heterogeneous knowledge distillation. At deployment time, the student model performs inference using only encrypted traffic, incurring zero additional cost. We evaluate ResAware on a large-scale dataset collected over five months from six globally distributed vantage points, comprising more than $160{,}000$ paired samples. The results show that ResAware significantly enhances the cross-environment robustness of diverse WF baselines. Under a 150-day temporal drift, for example, ResAware improves the F1-score of Var-CNN from $72.77\%$ to $81.49\%$ and the open-world $TPR@1\%FPR$ from $22.40\%$ to $27.20\%$. Our results demonstrate that resource-level supervision improves WF robustness without expanding online observation capabilities.

03.
arXiv (CS.LG) 2026-06-18

AGDN: Learning to Solve Traveling Salesman Problem with Anisotropic Graph Diffusion Network

arXiv:2606.19185v1 Announce Type: new Abstract: The Traveling Salesman Problem (TSP) is a cornerstone of combinatorial optimization and arises in many practical scenarios. Although graph-based learning approaches have been explored for TSP, the question of how to exploit graph structure more effectively remains open. We present the Anisotropic Graph Diffusion Network (AGDN), a new Graph Neural Network framework designed to solve TSP. Our method tackles two central difficulties: (1) the lack of informative topological prior in fully connected TSP graphs, and (2) losing connected nodes in the optimal solution after the commonly used graph sparsification techniques. To overcome these issues, we construct a MixScore transition matrix that merges node similarity with pairwise distance, and we develop an anisotropic graph diffusion strategy that supports efficient information exchange across multiple hops. Comprehensive experiments spanning diverse instance sizes and node distributions show that AGDN consistently outperforms existing methods while keeping computation time competitive. Furthermore, AGDN generalizes well to problem sizes and distributions beyond those seen during training. The implementation is publicly available at: https://github.com/LabRAI/AGDN.

04.
arXiv (CS.CV) 2026-06-15

3D-RFT: Reinforcement Fine-Tuning for Video-based 3D Scene Understanding

Reinforcement Learning with Verifiable Rewards ( RLVR ) has emerged as a transformative paradigm for enhancing the reasoning capabilities of Large Language Models ( LLMs), yet its potential in 3D scene understanding remains under-explored. Existing approaches largely rely on Supervised Fine-Tuning ( SFT), where the token-level cross-entropy loss acts as an indirect proxy for optimization, leading to a misalignment between training objectives and task performances. To bridge this gap, we present Reinforcement Fine-Tuning for Video-based 3D Scene Understanding (3D-RFT ), the first framework to extend RLVR to video-based 3D perception and reasoning. 3D-RFT shifts the paradigm by directly optimizing the model towards evaluation metrics. 3D-RFT first activates 3D-aware Multi-modal Large Language Models ( MLLM s) via SFT, followed by reinforcement fine-tuning using Group Relative Policy Optimization ( GRPO) with strictly verifiable reward functions. We design task-specific reward functions directly from metrics like 3D IoU and F1-Score to provide more effective signals to guide model training. Extensive experiments demonstrate that 3D-RFT-4B achieves state-of-the-art performance on various video-based 3D scene understanding tasks. Notably, 3D-RFT-4B significantly outperforms larger models (e.g., VG LLM-8B) on 3D video detection, 3D visual grounding, and spatial reasoning benchmarks. We further reveal good properties of 3D-RFT such as robust efficacy, and valuable insights into training strategies and data impact. We hope 3D-RFT can serve as a robust and promising paradigm for future development of 3D scene understanding.

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

Charging Quantum Batteries with Chiral Squeezing

arXiv:2606.16764v1 Announce Type: new Abstract: We propose a quantum-battery charger based on a driven bosonic Kitaev chain (BKC), where chiral squeezing converts passive input fluctuations into ordered, non-passive battery states. While a coherent input pulse exhibits phase-sensitive chiral transport, the charging dynamics is dominated by bidirectionally propagating fluctuations that are amplified and squeezed into orthogonal quadratures at opposite chain ends. In contrast to conventional phase-preserving amplifiers, our scheme stores largely extractable energy and achieves a work-like signal-to-noise ratio (SNR) near unity, even in the presence of thermal noise and moderate symmetry-preserving disorder.

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

Phys4D: Fine-Grained Physics-Consistent 4D Modeling from Video Diffusion

Recent video diffusion models have achieved impressive capabilities as large-scale generative world models. However, these models often struggle with fine-grained physical consistency, exhibiting physically implausible dynamics over time. In this work, we present Phys4D, a pipeline for learning physics-consistent 4D world representations from video diffusion models. Phys4D adopts a three-stage training paradigm that progressively lifts appearance-driven video diffusion models into physics-consistent 4D world representations. We first bootstrap robust geometry and motion representations through large-scale pseudo-supervised pretraining, establishing a foundation for 4D scene modeling. We then perform physics-grounded supervised fine-tuning using simulation-generated data, enforcing temporally consistent 4D dynamics. Finally, we apply simulation-grounded reinforcement learning to correct residual physical violations that are difficult to capture through explicit supervision. To evaluate fine-grained physical consistency beyond appearance-based metrics, we introduce a set of 4D world consistency evaluation that probe geometric coherence, motion stability, and long-horizon physical plausibility. Experimental results demonstrate that Phys4D substantially improves fine-grained spatiotemporal and physical consistency compared to appearance-driven baselines, while maintaining strong generative performance. Our project page is available at https://sensational-brioche-7657e7.netlify.app/

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

MVM-IOD: An Industrial Object-Centric Benchmark Dataset for the Evaluation of 3D Reconstruction Methods

3D object reconstruction, and camera pose estimation in industrial applications are challenging tasks, as errors are costly while the computation time is often limited. The complexity of typical industrial objects further complicates these tasks. Most of the existing datasets in this context do not depict realistic industrial scenarios. Therefore, we introduce the Machine Vision Metrology Industrial Object Dataset (MVM-IOD). Images of typical industrial objects are captured systematically, by moving a camera, mounted at the end effector of an industrial robot arm, on a hemisphere around the objects. MVM-IOD contains reference camera poses and reference 3D point clouds, the acquired RGB images of 9 objects and 2 background choices resulting in 18 scenes, which allows evaluation of all image based methods that compute a 3D reconstruction, camera poses, or novel views of a scene. Based on MVM-IOD, we extensively evaluate current SOTA 3D reconstruction and camera pose estimation methods, such as Structure from Motion, Multi-View Stereo, recent feed forward methods (Visual Geometry Grounded Transformer, {\pi}3), and 2D Gaussian Splatting and report our findings as a baseline for future research. The experiments show that capture setups like ours generate out-of distribution images for feed forward methods, leading to suboptimal point clouds and camera poses. However, these out-of-distribution images can be shifted closer to the training distribution by applying simple preprocessing steps. Consequently, in certain industrial applications, feed forward methods should be used with caution.

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

Fully Distributed Multi-View 3D Tracking in Real-Time

Multi-camera tracking with overlapping fields of view typically relies on centralized fusion, which creates computational bottlenecks that prevent deployment at scale. We present MV3DT, a fully distributed framework for real-time multi-view 3D tracking that achieves accurate identity propagation and occlusion recovery through peer-to-peer coordination, eliminating the need for central aggregation. Each camera node executes a lightweight modular pipeline comprising monocular 3D perception, distributed multi-view association, and collaborative fusion via lightweight messaging. MV3DT achieves 94.3% IDF1 and 93.3% MOTA on WILDTRACK, competitive with state-of-the-art centralized methods, while demonstrating superior scalability by sustaining 30 FPS on 100 cameras with less than 10 ms inter-camera latency and only 2.2% communication overhead. MV3DT operates in a zero-shot regime given camera calibrations, requiring no scene-specific learning and making it directly deployable in new environments. These results establish MV3DT as a practical solution for real-time multi-view tracking in large-scale overlapping camera networks.

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

NSVQ: Mitigating Codebook Collapse by Stabilizing Encoder Drift in Vector Quantization

Vector quantization is central to modern generative modeling pipelines, but large-codebook VQ models often suffer from codebook collapse. We identify encoder drift as a key driver of this failure: as the encoder moves the latent distribution, sparsely updated code vectors can lag behind, lose assignments, and increase quantization error, creating a feedback loop through the straight-through estimator. We propose NSVQ, a non-stationary-aware VQ training strategy that combines a dense non-stationary embedding loss, codebook replacement, and stage-wise encoder freezing. NSVQ first helps the codebook track encoder drift during early training, then freezes the encoder to consolidate the codebook under a fixed latent geometry, and finally reintroduces adversarial refinement. Experiments on ImageNet-1k show that NSVQ improves reconstruction quality while maintaining full codebook utilization. On ImageNet-1k at 128$\times$128 with 65,536 codes, NSVQ reduces rFID from 2.39 to 2.10 compared with SimVQ, while both methods maintain 100\% utilization. Additional latent diffusion experiments show that NSVQ also improves downstream ImageNet generation FID.

10.
arXiv (CS.LG) 2026-06-18

Quantifying and Auditing LLM Evaluation via Positive–Unlabeled Learning

arXiv:2606.19057v1 Announce Type: cross Abstract: Large Language Models (LLMs) are increasingly used as judges for scalable evaluation, yet such LLM–as–a–Judge systems exhibit systematic biases that are decoupled from semantic quality, most notably verbosity bias. Meanwhile, human supervision is costly and typically selective, yielding reliable positive judgments but leaving most outputs unlabelled and potentially mixed in quality. We formulate LLM evaluation under selective human supervision as a positive–unlabelled learning problem and propose a geometric auditing framework based on Partial Optimal Transport. By aligning a small set of human–verified positives with a reliable subset of unlabelled outputs in a fixed embedding space, our method identifies human–consistent preferences and corrects biased judges without retraining. Experiments demonstrate improved alignment with human preferences, increased robustness to presentation biases, and interpretable confidence estimates, offering a scalable and statistically grounded alternative to existing LLM–as–a–judge pipelines.

11.
arXiv (CS.AI) 2026-06-17

CogGen: Cognitive-Load-Inspired Fully Unsupervised Deep Generative Modeling for Compressively Sampled MRI Reconstruction

arXiv:2603.04438v3 Announce Type: replace-cross Abstract: Fully unsupervised deep generative modeling (FU-DGM) offers significant potential for compressively sampled magnetic resonance imaging (CS-MRI) reconstruction. Representative FU-DGM formulations, such as deep image prior (DIP) and implicit neural representation (INR), employ architectural bias to induce a low-dimensional manifold in the image space that aligns with the forward observation. However, as the underlying inverse system is highly ill-posed, prolonged iterative fitting in FU-DGM typically leads to poor efficiency and noise amplification. In this paper, guided by the cognitive principle of easy-to-hard learning, we propose CogGen, an FU-DGM framework that reformulates CS-MRI reconstruction as a staged inversion problem. Specifically, CogGen implements an self-paced curriculum learning (SPCL)-driven progressive scheduling strategy through an MRI-aware dual-threshold weighting criterion, which adaptively regulates k-space measurement participation. The data-consistency residual thresholding evaluates the fitting reliability of the current generator, while the k-space radius thresholding controls stage-wise measurement exposure, thereby avoiding uniform fitting throughout optimization. Theoretically, our analysis shows that, when early stages favor easy-to-fit measurements, CogGen yields a reduced local sufficient-iteration bound and a smaller cumulative noise-amplification bound, explaining the improved convergence behavior and reconstruction fidelity of CogGen within a finite iteration budget. Numerical experiments demonstrate that both CogGen instantiations, CogGen-DIP and CogGen-INR, achieve superior performance over prevailing CS-MRI reconstruction techniques, including unsupervised and supervised pipelines.

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

The Answer Lies Within: Self-Derived Rewards Enable Explainable Relation Extraction

Despite the remarkable reasoning capabilities of large language models, they still struggle with one-shot relation extraction without predefined relation labels. We identify two pitfalls: models are often misled by irrelevant tokens instead of relation-conveying semantics, and they often fail to align with the abstraction level human annotators expect. We introduce a novel framework that closes this gap with two components: (1) COGRE, a cognitively-inspired reasoning framework that structures RE into a series of processes mimicking human text-processing; and (2) HIT@DICT, a reinforcement learning intermediate reward strategy that encourages reasoning to align with relational labels by rewarding relation-relevant phrases in reasoning. The reward is derived on a credit dictionary automatically extracted from correct predictions. Our experiments show that our framework improves both accuracy and explanation quality by addressing these two pitfalls. For example, COGRE with Qwen2.5-14B-Instruct on One-shot NYT29 achieves 24.65% F1, surpassing prior reasoning-based designs. Optimizing this approach with RL using HIT@DICT further improves performance by +23.46% points. Finally, human evaluation shows that our best model generates relational phrases closely aligned with gold labels, increasing human explanation quality ratings by 54% (relative).

13.
arXiv (CS.CV) 2026-06-18

Investigation of Neural Network Methods for Reconstruction and Classification of Texture Images Under Conditions of Incomplete Information

The automated analysis of heterogeneous natural textures is frequently hindered by physical damage and data loss, presenting a significant challenge to computer vision. While deep learning has shown success in controlled environments, its application to complex geological materials under conditions of incomplete information remains underexplored. This study presents an integrated framework for the inpainting and classification of high-resolution core sample images. We propose an end-to-end pipeline that utilizes object detection for sample segmentation, followed by image inpainting using Generative Adversarial Networks (GANs) with Contextual Residual Aggregation (CRA) to reconstruct missing high-frequency details. Subsequently, we evaluate the performance of modern Transformer-based (Swin, ViT) and CNN architectures on the reconstructed data. Our experiments revealed a critical divergence between reconstruction quality and downstream utility: despite high structural fidelity (PSNR 28.7~dB, FID 74.01), classification accuracy plateaued at 53\%. To improve minority-class detection, we propose a confidence-based hybrid ensemble that raises MCA from 48\% to 58\%. These results highlight the limitations of current state-of-the-art generative models, which may produce visually plausible but semantically ambiguous features ("hallucinations") that confound classifiers. This work provides insights into the dependencies between image reconstruction quality and classification performance, offering a reproducible baseline for future research in non-destructive testing and material science. Given that cross-well accuracy remains in the 49–53\% range, we position the resulting system as a decision-support and screening tool for lithofacies interpretation rather than as a fully autonomous classifier. The code is available at https://github.com/GalymzhanAbdimanap/Lithology_recognition

14.
arXiv (quant-ph) 2026-06-16

Counterdiabatic Raman Atom Optics for Compact High-Sensitivity Gravimetry

arXiv:2606.16945v1 Announce Type: new Abstract: Large-momentum-transfer (LMT) atom interferometry provides a route toward enhanced inertial sensitivity in compact quantum sensors, but its scalability is limited by the accumulation of pulse-transfer errors across long Raman pulse sequences. We investigate theoretically the use of stimulated Raman shortcut-to-adiabatic passage (STIRSAP) for high-fidelity LMT atom optics in a Mach–Zehnder interferometer geometry. The counterdiabatic correction is encoded directly into the Raman pulse envelopes, eliminating the need for auxiliary microwave or radio-frequency control fields. Numerical simulations based on an effective Raman model show that $1~\mu\mathrm{s}$ STIRSAP pulses achieve single-pulse transfer fidelities of $F_\pi = 0.99902$ while maintaining negligible pulse-time overhead even at high momentum order. We analyze the resulting tradeoff between interferometric phase enhancement and compound contrast decay and identify an unconstrained shot-noise optimum near $n\approx270$. The analysis further shows that practical operation at extreme LMT order is constrained by wave-packet separation, vibration noise, Doppler detuning, and accumulated systematic effects rather than by pulse duration itself. These results establish superadiabatic Raman control as a promising approach for scalable high-fidelity atom optics and clarify the physical limitations governing compact high-order atom interferometers.

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

Riemann-Bench: A Benchmark for Moonshot Mathematics

arXiv:2604.06802v2 Announce Type: replace Abstract: Recent AI systems have achieved gold-medal-level performance on the International Mathematical Olympiad, demonstrating remarkable proficiency at competition-style problem solving. However, competition mathematics represents only a narrow slice of mathematical reasoning: problems are drawn from limited domains, require minimal advanced machinery, and can often reward insightful tricks over deep theoretical knowledge. We introduce Riemann-Bench, a private benchmark of expert-curated problems designed to evaluate AI systems on research-level mathematics that goes far beyond the olympiad frontier. Problems are authored by Ivy League mathematics professors, graduate students, and PhD-holding IMO medalists, and routinely took their authors weeks to solve independently. Each problem undergoes double-blind verification by two independent domain experts who must solve the problem from scratch, and yields a unique, closed-form solution assessed by programmatic verifiers. We evaluate frontier models as unconstrained research agents, with full access to coding tools, search, and open-ended reasoning, using an unbiased statistical estimator computed over 100 independent runs per problem. Our results reveal that all frontier models currently score below 10%, exposing a substantial gap between olympiad-level problem solving and genuine research-level mathematical reasoning. By keeping the benchmark fully private, we ensure that measured performance reflects authentic mathematical capability rather than memorization of training data.

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

Evaluating Pluralism in LLMs through Latent Perspectives

The growing need to represent diverse perspectives has increased interest in pluralistic LLM generation. Although difficult to operationalize, identifying perspectives expressed in text would provide clear guidance on pluralistic alignment and more clearly articulate the pluralistic gap in LLM generation. While models have been shown to reduce the diversity of training data and generate homogeneously, this has been demonstrated primarily on multiple-choice questionnaires or using high-level characteristics of free-form text. In this paper, we introduce and implement a domain-agnostic multi-layered framework for unsupervised extraction of perspectives suitable for identifying the pluralistic gap in LLM-generated text. We evaluate our framework on book reviews, a highly opinionated dataset representing diverse perspectives, and compare various prompts and models. Our results show that while some models and prompting techniques come close to covering a broad spectrum of perspectives, rarer perspectives remain disproportionately underrepresented, resulting in distributions that diverge from human text.

17.
arXiv (CS.LG) 2026-06-19

Closing the Social-Semantic Gap: SPSD for Edge-Based Prompt Compression in Cloud LLM Inference

arXiv:2606.19364v1 Announce Type: new Abstract: The prefill stage of Large Language Model (LLM) inference is a growing contributor to cloud-scale energy cost. Many consumer-support and conversational prompts contain social scaffolding: politeness markers, apologetic preamble, repetition, and rapport-building language that is important for human communication but carries low marginal information for machine reasoning. We call this discrepancy the Social-Semantic Gap. We present SPSD (Sentiment Preserving Semantic Distillation), an edge-based pipeline that compresses user prompts using a 4-bit quantised Small Language Model before transmission to a cloud-deployed LLM. Evaluation on a 248-prompt corpus using Gemma-2-2B-Instruct (Q4_K_M) as the SLM and Llama-3.1-8B-Instruct as the cloud evaluation model yields a mean input token saving of 99.9 tokens per distilled call, with all 146 distilled calls yielding positive savings. Response quality, assessed by blind LLM-as-judge scoring across 121 pairs, is non-inferior to the raw path within a pre-specified 1-point margin on a 15-point rubric; the judge awarded 43 percent ties, 28 percent distilled wins, and 29 percent raw wins. Cosine similarity is mixed: mean 0.682, median 0.712, with 54.1 percent of pairs above the 0.70 reference threshold. Safety-critical domains are conservatively routed to passthrough via rule-based gates. Per-call net energy saving is estimated at 70-270 uWh under stated assumptions. SPSD shows that on-device prompt distillation can reduce cloud LLM input-token cost while preserving response quality within a practical non-inferiority margin.

18.
arXiv (CS.LG) 2026-06-12

Majority-of-Three is Optimal

arXiv:2606.13614v1 Announce Type: cross Abstract: We give a short proof that the majority vote of three independent consistent classifiers is an optimal learner in the realizable PAC setting. This proves optimality for the simplest voting scheme, while simplifying both the algorithmic structure and the probabilistic analysis of previous voting learners, including the algorithm of S. Hanneke and the analysis of bagging by K. Green Larsen.

19.
arXiv (CS.CV) 2026-06-16

JoyAI-VL-Interaction: Real-Time Vision-Language Interaction Intelligence

Many moments in the real world do not wait for a user to ask. A fire starts on a security monitor, an expression flickers across a video call, or a product a viewer wants flashes by in a livestream. Yet today's large models remain mostly turn-based by design: they answer only when addressed, and even video-call apps that appear interactive still operate as question-answer systems, reacting only when polled or prompted. We argue for a different paradigm: a model that is present in the world like a person. It continuously watches what is happening now, decides on its own whether to speak or stay silent, interacts in real time, and delegates to a background model when the problem is hard. To advance interaction models and their adoption across domains, we make two fully open-sourced contributions. First, we release JoyAI-VL-Interaction, an 8B-scale, vision-first VL-interaction model. The model makes the response decision internally, choosing each second to stay silent, respond, or delegate to a background model, and it excels at vision-triggered responsiveness and time awareness. We pair it with a transferable training recipe, from which capabilities we never trained for emerge, such as guiding a shopper through changing app screens or improvising a lecture from a slide deck. Second, we release a complete, deployable system built around that model. The system streams any ongoing video into the model, making it genuinely present in the world. All other components are pluggable, including ASR/TTS modules, memory, visualization UI, and a background brain that can connect to any API or agent. Across six real-world scenarios, human raters prefer JoyAI-VL-Interaction over the in-app video-call assistants of Doubao and Gemini by a wide margin. To our knowledge, this is the first open, vision-driven interaction model released together with its training recipe, data, and complete deployable system.

20.
arXiv (CS.AI) 2026-06-17

DecoSearch: Complexity-Aware Routing and Plan-Level Repair for Text-to-SQL

arXiv:2606.17821v1 Announce Type: new Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in translating natural language to SQL, yet existing methods still falter on complex queries requiring multi-step, data-aware reasoning. We introduce DecoSearch, a training-free framework that addresses this by routing each query to the appropriate level of reasoning effort. A lightweight Schema Selector first prunes the full database schema to the relevant tables and columns. An LLM Judger then decides whether the question requires decomposition: straightforward questions follow a direct generation path and complex ones are escalated to a Directed Acyclic Graph (DAG) of atomic sub-questions, each solved by a targeted SQL generation step. A RAG component grounds the decomposer with semantically similar training examples, and a Topology Refiner restructures the reasoning plan when execution failures signal a flawed decomposition rather than a fixable SQL error. DecoSearch achieves 70.53% execution accuracy on BIRD and 88.31% on Spider with a DeepSeek backbone, surpassing all training-free baselines while consuming an order of magnitude fewer tokens than competing methods. It also functions as a model-agnostic wrapper, consistently improving fine-tuned SQL generation backbones without any modification to the pipeline.

21.
arXiv (CS.LG) 2026-06-17

Half a Link can Be Enough to Predict a Whole Link: Understanding Generalization in Knowledge Graph Foundation Models

arXiv:2606.18001v1 Announce Type: new Abstract: Knowledge graph (KG) foundation models (KGFMs) are zero-shot generalizers: trained once, they can predict links on unseen graphs without retraining. However, understanding when and how they can robustly generalize across KGs is still an open question. In this paper, we shed some light on their generalization mechanisms highlighting how their performance on unseen KGs is not uniform when it comes to partially seen links, which we call half-links. In fact, we show that to predict a test triple $(h,r,t)$ it might suffice in practice to have observed the half-link $(h,r)$ or $(r,t)$ in the inference graph. This yields a taxonomy of four scenarios when combinations of these half-links are observed or not. In a rigorous stratified analysis over these scenarios, we reveal that SoTA KGFMs use seen half links for predictions, while unseen half-links pose different challenges. As such, our finer-grained taxonomy can be a diagnostic protocol for robust KGFM generalization and highlights where novel KGFMs can improve.

22.
arXiv (quant-ph) 2026-06-16

The Quantum Transition State

Authors:

arXiv:2606.10266v2 Announce Type: replace Abstract: The transition state – the critical configuration separating reactants from products – is the central organizing concept of chemical reaction rate theory, yet for nearly a century it has been thought to have no exact quantum counterpart: the recrossing-free, one-way flux through a transition state appears to demand simultaneous knowledge of position and momentum, in conflict with the uncertainty principle. We show this obstruction is illusory and construct the quantum transition state directly from the exact quantum flow. Its stable and unstable invariant manifolds intersect in a unique bounded trajectory – the quantum transition-state trajectory – anchoring a moving dividing surface that each reactive characteristic crosses exactly once, yielding a one-way flux of the standard quantum probability current. The geometric framework underlying classical transition-state theory thus survives intact in exact quantum mechanics, in a fundamentally quantum form.

23.
arXiv (CS.LG) 2026-06-11

Least-Action-Guided Diffusion for Physical Extrapolation

arXiv:2606.11277v1 Announce Type: new Abstract: Reliable extrapolation remains a central challenge for generative models in computational physics, because models trained over finite ranges of time, parameters, or geometries may produce physically inconsistent predictions outside the training distribution. We introduce a least-action-principle-guided diffusion, LAPG, a framework that promotes physical consistency during inference rather than relying solely on constraints imposed during training. The method combines a conditional score-based diffusion model with an action-derived physical guidance score. In the first stage, the learned score model generates an in-distribution proposal; in the second, an action-based variational prior refines this proposal toward the target out-of-distribution condition. This formulation turns the principle of least action into a differentiable inference-time correction mechanism and provides an alternative to pointwise residual penalties that often require empirical loss balancing. We evaluate LAPG on representative ordinary- and partial-differential-equation systems, including free fall, conservative and dissipative spring-mass dynamics, interacting point vortices, and potential flow over parameterized airfoils. In temporal, parameter, and geometric extrapolation tests, LAPG reduces phase drift, preserves dissipative decay, captures vortex motion, and improves the lift response of airfoil flows compared with training-time physics-informed baselines.

24.
arXiv (CS.LG) 2026-06-12

Design Criteria for SGD Preconditioners: Local Conditioning, Noise Floors, and Basin Stability

arXiv:2511.19716v2 Announce Type: replace-cross Abstract: Stochastic Gradient Descent (SGD) often slows in the late stage of training due to anisotropic curvature and gradient noise. We analyze preconditioned SGD in the geometry induced by a symmetric positive definite matrix $\mathbf{M}$, deriving bounds in which both the convergence rate and the stochastic noise floor are governed by $\mathbf{M}$-dependent quantities: the rate through an effective condition number in the $\mathbf{M}$-metric, and the floor through the product of that condition number and the preconditioned noise level. For nonconvex objectives, we establish a preconditioner-dependent basin-stability guarantee: when smoothness and basin size are measured in the $\mathbf{M}$-norm, the probability that the iterates remain in a well-behaved local region admits an explicit lower bound. This perspective is particularly relevant in Scientific Machine Learning (SciML), where achieving small training loss under stochastic updates is closely tied to physical fidelity, numerical stability, and constraint satisfaction. The framework applies to both diagonal/adaptive and curvature-aware preconditioners and yields a simple design principle: choose $\mathbf{M}$ to improve local conditioning while attenuating noise. Experiments on a quadratic diagnostic and three SciML benchmarks validate the predicted rate-floor behavior.

25.
bioRxiv (Bioinfo) 2026-06-14

Cellfm-datasets: A Unified Data Infrastructure for Single-Cell and Spatial Transcriptomics Foundation Model Pretraining

Large-scale cell foundation models are increasingly limited not only by model architecture, but also by the data infrastructure required to repeatedly sample sparse transcriptomic profiles from out-of-core cohorts. AnnData/H5AD has become a standard exchange format for single-cell and spatial omics analysis, yet its HDF5-backed layout is not designed for high-frequency random mini-batch loading under multi-worker and distributed pretraining. We present Cellfm-datasets, a data infrastructure artifact that converts H5AD cohorts into a self-describing compressed sparse row (CSR) memmap layout and exposes the resulting corpus through Hugging Face Dataset and IterableDataset interfaces. The artifact stores a shared gene vocabulary, per-sample metadata, optional spatial coordinates, observation metadata, manifests, and checksums, and reconstructs sparse cell or group records at runtime without dense expansion. A unified sampling abstraction supports random-cell groups, manifest-defined biological regions, and coordinate-based spatial blocks, with deterministic sharding across distributed ranks and data-loader workers. Spatial demonstrations on P14 mouse brain transcriptomics sections illustrate region- and block-level sampling over real anatomical structures. In controlled benchmarks on a public heterogeneous ModelScope scRNA-seq subset, Cellfm-datasets reached 60,571 +/- 1,734 samples/s in single-core random loading, scaled to approximately 160,000 samples/s with eight workers, and maintained near-constant process-private memory while reading up to one million cells. By moving sparse single-cell and spatial corpora from model-specific loader code into reusable, validated, and framework-native dataset artifacts, this design may reduce the engineering burden of reproducible cell foundation model pretraining and make repeated training runs, model comparisons, and mixed-modality data reuse easier to standardize.