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01.
arXiv (CS.LG) 2026-06-24

Data Augmentation: A Fourier Analysis Perspective

arXiv:2606.24418v1 Announce Type: new Abstract: Data augmentation is a simple and model-agnostic approach for exploiting known invariances in learning problems. Given a group acting on the input space, one augments the training set with transformed copies of each sample. Because it exploits symmetries without modifying the underlying learning algorithm, data augmentation can be applied broadly across learning methods. However, this universality comes at a computational cost: when the group is large, full group-sized augmentation quickly becomes computationally infeasible. This raises a fundamental question: Can partial data augmentation achieve the same statistical benefits as full augmentation in terms of generalization and sample complexity? We develop a general framework for investigating this question using Fourier analysis and the representation theory of finite groups. We show that, for a broad class of classical learning problems, partial data augmentation based on a randomly sampled subset of group elements achieves the same minimax rates as full augmentation, up to an approximation error that vanishes as the subset size increases. Our results provide a theoretical explanation for why partial augmentation can retain the statistical benefits of full augmentation despite enforcing symmetry only approximately, and shed light on a recently raised question in learning with symmetries: whether statistically optimal learning under general group invariances can be achieved using computationally scalable methods. Moreover, we prove a complementary impossibility result: enforcing exact invariance via data augmentation requires averaging over the entire group, and cannot be achieved by any strict subset when the hypothesis space is sufficiently expressive. Together, these results provide a unified perspective on full and partial data augmentation, as well as exact and approximate symmetry enforcement.

02.
arXiv (CS.AI) 2026-06-11

TreeSeeker: Tree-Structured Trial, Error, and Return in Deep Search

arXiv:2606.11662v1 Announce Type: new Abstract: Deep search requires agents to answer complex questions through multi-step web search, browsing, evidence comparison, and synthesis. A central challenge is deciding how to search when several directions look plausible but only some will later lead to reliable evidence. If an agent greedily follows the current best-looking direction, it may keep extending a weak continuation. If it explores without discipline, it may waste budget on disconnected trials. We propose TreeSeeker, an inference-time framework for controlled trial-and-error in deep search. TreeSeeker organizes search as branch-and-return search over tree-structured states, where each branch is a tentative direction for a sub-goal. At each round, TreeSearch reads all sub-goal trees, identifies active goals, and uses textual UCB signals of value, uncertainty, and risk to select among exploiting a promising branch, exploring an uncertain alternative, or pruning an unproductive continuation and returning to an earlier branch point. TreeMem supports this control loop by keeping evidence, uncertainty, conflicts, progress, and failure cues attached to the branches that produced them, so trial outcomes can guide later decisions. Experiments on XBench-DeepSearch, BrowseComp, and BrowseComp-ZH show that TreeSeeker consistently outperforms strong open-source baselines, suggesting that explicit branch-and-return control complements stronger reasoning and tool execution.

03.
arXiv (CS.CV) 2026-06-16

Dehaze-GaussianImage: Zero-Shot Dehazing via Efficient 2D Gaussian Splatting Representation

Existing single image dehazing methods are often constrained by computational redundancy in pixel-level optimization and the lack of physical interpretability in implicit neural networks. These limitations hinder the balance between representation efficiency and reconstruction fidelity. To address these issues, we propose Dehaze-GaussianImage, the first zero-shot framework that introduces 2D Gaussian Splatting (2DGS) into the image dehazing domain to break the traditional pixel-grid processing paradigm. Distinct from static convolutional neural networks (CNNs) or Transformers, our approach models hazy images as continuous and dynamically evolvable anisotropic Gaussian fields. Specifically, we propose a novel reconstruction-decoupling zero-shot learning strategy that embeds the atmospheric scattering model into the Gaussian parameter space. This strategy drives Gaussian primitives to adaptively split, clone, and prune during optimization, achieving geometric-level decoupling of the transmission medium and clear textures. Furthermore, explicit structure-preserving constraints are introduced to suppress artifacts commonly caused by traditional physical priors. Experimental results demonstrate that the proposed method achieves state-of-the-art (SOTA) performance in a fully unsupervised manner with minimal parameters, highlighting the potential of explicit Gaussian representation for low-level vision tasks.

04.
arXiv (quant-ph) 2026-06-24

Teleportation-based quantum state tomography

arXiv:2511.18621v2 Announce Type: replace Abstract: We explicitly show that the quantum teleportation protocol can be employed to completely reconstruct arbitrary two- and three-qubit density matrices. We also extend the present analysis to n-qubit density matrices. The only quantum resources needed to implement the teleportation-based quantum state tomography protocol are the ability to make Bell measurements and the ability to prepare a few different single qubit states to be teleported from Alice to Bob.

05.
arXiv (CS.CV) 2026-06-17

Mordal: Automated Pretrained Model Selection for Vision Language Models

Incorporating multiple modalities into large language models (LLMs) is a powerful way to enhance their understanding of non-textual data, enabling them to perform multimodal tasks. Vision language models (VLMs) form the fastest growing category of multimodal models because of their many practical use cases, including in healthcare, robotics, and accessibility. Unfortunately, even though different VLMs in the literature demonstrate impressive visual capabilities in different benchmarks, they are handcrafted by human experts; there is no automated framework to create task-specific multimodal models. We introduce Mordal, an automated multimodal model search framework that efficiently finds the best VLM for a user-defined task without manual intervention. Mordal achieves this both by reducing the number of candidates to consider during the search process and by minimizing the time required to evaluate each remaining candidate. Our evaluation shows that Mordal can find the best VLM for a given problem using $8.9\times$–$11.6\times$ lower GPU hours than grid search. We have also discovered that Mordal achieves about 69\% higher weighted Kendall's $\tau$ on average than the state-of-the-art model selection method across diverse tasks.

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

Alternating Direction Method of Multipliers for Nonlinear Matrix Decompositions

arXiv:2512.17473v3 Announce Type: replace-cross Abstract: We present an algorithm based on the alternating direction method of multipliers (ADMM) for solving nonlinear matrix decompositions (NMD). Given an input matrix $X \in \mathbb{R}^{m \times n}$ and a factorization rank $r \ll \min(m, n)$, NMD seeks matrices $W \in \mathbb{R}^{m \times r}$ and $H \in \mathbb{R}^{r \times n}$ such that $X \approx f(WH)$, where $f$ is an element-wise nonlinear function. We evaluate our method on several representative nonlinear models: the rectified linear unit activation $f(x) = \max(0, x)$, suitable for nonnegative sparse data approximation, the component-wise square $f(x) = x^2$, applicable to probabilistic circuit representation, and the MinMax transform $f(x) = \min(b, \max(a, x))$, relevant for recommender systems. The proposed framework flexibly supports diverse loss functions, including least squares, $\ell_1$ norm, and the Kullback-Leibler divergence, and can be readily extended to other nonlinearities and metrics. We illustrate the applicability, efficiency, and adaptability of the approach on real-world datasets, highlighting its potential for a broad range of applications.

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

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

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

08.
arXiv (CS.AI) 2026-06-24

Large-Language-Model Discovery of Quantum LDPC Codes through Structured Concept Evolution

arXiv:2606.24808v1 Announce Type: cross Abstract: Quantum computers could outperform classical machines on important problems, but only if the errors that pervade quantum hardware can be corrected at scale. Quantum low-density parity-check (qLDPC) codes offer a promising route to this goal by combining sparse parity checks with finite encoding rate and growing distance, but their construction remains a challenging discrete design problem. Here we introduce structured concept evolution (SCE), a search framework that pairs a large language model with a structured algebraic mutation grammar to discover lifted-product code families, a class of CSS qLDPC codes. Instead of asking the LLM to design codes from first principles, SCE evolves structured concepts consisting of algebraic specifications paired with executable programs that realize them, using hierarchical mutations that modify the group algebra, protograph geometry, or base space. Running SCE, we discover a diverse set of competitive code families, ranging from abelian constructions to families over non-abelian groups beyond those underlying standard designs such as bivariate-bicycle codes, and characterize them under code-capacity depolarizing noise with BP+OSD decoding. These results are obtained with lightweight models (GPT-5.4-mini and GPT-5.4-nano).

09.
medRxiv (Medicine) 2026-06-18

The Effectiveness of aromatherapy and its supportive Interventions on anxiety and pain among breast cancer patients: A systematic review and meta-analysis

Introduction: Breast cancer treatments are often associated with pain and anxiety, which can hinder physical functioning and overall quality of life, even after treatment. Complementary therapies, such as aromatherapy, can be used to alleviate pain and reduce anxiety in breast cancer patients. This project aimed to synthesize current global evidence on the effectiveness of aromatherapy. Method: This systematic review followed the PRISMA 2020 guidelines, with a comprehensive, systematic search conducted in PubMed, CINAHL, Cochrane Library, and SCOPUS for randomized controlled trials (RCTS) published from 2015 to 2025. Eligible studies included adult women breast cancer surgery patients who received aromatherapy during various periods of breast cancer. Where possible, data from the included studies were pooled using meta-analysis. GRADE approach was used to assess certainty of findings. Results: The search yielded 84 studies. Out of these, six were included in this review. On average, aromatherapy reduces pain and anxiety scores by 0.79 (standard mean difference (SMD)=-0.79, 95% CI -1.42, -0.16) and 0.53 (SMD=-0.53, 95 CI=-0.90, -0.16) units, respectively, compared to control condition [Low-quality of evidence]. The combination of aromatherapy with music reduces pain and anxiety by 1.26 (SMD= -1.26, 95 CI=-1.65, -0.87) and 1.08 (SMD = -1.08, 95 % CI: -1.45, -0.70) units respectively compared to standard care [Low-quality of evidence]. Conclusion: There is a potential role for the use of aromatherapy and music therapy, to alleviate anxiety and pain, especially for non-preoperative anxiety and pain. Further research is needed to inform the integration of aromatherapy into the management of anxiety and pain.

10.
arXiv (CS.LG) 2026-06-15

D2H-AD: A Hybrid Model Utilizing Hyperdimensional Computing for Advanced Anomaly Detection

arXiv:2606.13754v1 Announce Type: new Abstract: Anomaly detection is a fundamental component of intelligent systems with applications in healthcare, cybersecurity, smart grids, and IoT environments. Although conventional machine learning and deep learning methods have demonstrated effectiveness in identifying anomalies, they often rely on large labeled datasets, incur high computational costs, and face scalability challenges in edge and high-dimensional settings. This paper presents D2H-AD, a novel anomaly detection framework based on Hyperdimensional Computing (HDC), a brain-inspired paradigm that represents information using high-dimensional distributed vectors. Unlike existing HDC-based methods, D2H-AD integrates distance-based similarity and density-aware encoding within a unified framework, improving anomaly representation and detection performance. Ablation studies show that hyperdimensional encoding alone yields up to 5.4% higher ROC-AUC than applying the same density-distance scoring directly in the original feature space. Furthermore, D2H-AD consistently outperforms five established baselines, namely HDAD, ODHD, One-Class SVM, Isolation Forest, and Autoencoders, across all evaluated datasets. The framework is lightweight, interpretable, and computationally efficient, making it suitable for resource-constrained and real-time applications. We validate D2H-AD on five benchmark datasets and demonstrate superior F1-score and ROC-AUC performance, together with robustness to class imbalance, noise, and data complexity. In addition to improved accuracy, D2H-AD offers scalability, a small memory footprint, and low-latency operation enabled by binary computations and a compact design. These properties make it particularly attractive for TinyML and edge AI deployments. The proposed framework highlights the potential of HDC for accurate, interpretable, and energy-efficient anomaly detection in dynamic environments.

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

Would you still call this Dax? Novel Visual References in VLMs and Humans

Vision-language models (VLMs), like human learners, are frequently exposed to new visual concepts, but how they map novel visual references to language after exposure remains largely underexplored, particularly when those references contradict prior knowledge from pre-training. To study this, we present the Novel Visual References Dataset (NVRD): 19,176 images spanning 90 visual concepts across different levels of visual novelty, each with up to 20 increasingly perturbed versions of the original object to probe generalization. Unlike prior work on visual augmentations of familiar concepts, NVRD comprises entirely novel, open-ended stimuli constructed from scratch, mirroring how humans encounter genuinely new concepts. We evaluate 3 open- and 2 closed-source models alongside 2,400 human judgments for direct human-model comparison, and find that (i) models struggle to acquire novel concepts in-context when they contradict prior knowledge, and (ii) while models and humans show correlated sensitivity to visual perturbations, models significantly overgeneralize, extending learned labels to stimuli that humans reject. We contribute NVRD as a corpus and benchmark for research on visual concept learning in both humans and machines.

13.
medRxiv (Medicine) 2026-06-17

Postoperative Cognitive Decline in Older Patients with Cardiovascular Disease and Preoperative Mild Cognitive Impairment

Objective. Older adults undergoing cardiac surgery may be vulnerable to postoperative cognitive decline. However, no studies have examined postoperative cognitive outcomes in older patients with cardiovascular disease (CVD) according to preoperative mild cognitive impairment (MCI). This study examined 12-month postoperative cognitive outcomes in older CVD patients according to preoperative MCI diagnosis and explored predictors of postoperative cognitive decline. Method. Twenty-two older CVD patients ([≥]65 years) and twenty-five controls were included. Neuropsychological assessment was conducted at baseline in both groups and repeated 12 months after surgery in the CVD group. MCI was diagnosed using current clinical criteria. Postoperative cognitive change was examined across preoperative MCI groups. Results. Fifty percent of patients met criteria for postoperative MCI, showing high diagnostic stability relative to preoperative frequency (45.5%). The preoperative CVD-MCI group showed a decline in working memory, executive functions, visual memory, and naming, whereas CVD-nMCI group declined only in verbal memory. Furthermore, CVD-MCI showed more heterogeneous postoperative cognitive trajectories of change than CVD-nMCI, who showed stability. Estimated IQ, APACHE-II score, and postoperative frailty were important variables in predicting the postoperative pattern. Conclusions. MCI frequency remained high and stable in older CVD patients across the preoperative and one-year postoperative period. However, this apparent diagnostic stability masks subclinical cognitive decline, particularly among patients with preoperative MCI, who showed greater susceptibility to further impairment. Estimated IQ, APACHE-II score, and postoperative frailty may be considered relevant predictors of outcome. These results highlight the value of preoperative neuropsychological assessment for characterizing postoperative cognitive risk in older CVD patients.

14.
arXiv (CS.AI) 2026-06-12

Decentralized Autoregressive Generation

arXiv:2601.03184v3 Announce Type: replace-cross Abstract: The decentralization of autoregressive generation has attracted considerable attention in recent years as a solution to scaling bottlenecks. However, despite promising empirical results, this paradigm currently lacks rigorous theoretical justification. In this work, we formally establish the theoretical equivalence between decentralized and centralized training. To achieve this, we adapt the Discrete Flow Matching framework for autoregressive generation, leveraging its inherent properties to demonstrate that global models naturally decompose into independent experts. Finally, we conduct extensive experiments across diverse multimodal benchmarks, empirically validating that decentralized training maintains competitive parity with standard centralized architectures.

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

Boltzmann-Like Occupation of Nonequilibrium Steady States on Dense Networks

Authors:

arXiv:2606.14542v1 Announce Type: cross Abstract: A central problem in statistical physics is to extend the Boltzmann distribution to nonequilibrium steady states (NESS). We prove that NESS on large dense networks have Boltzmann-like occupation despite extensive entropy production. We further show that the active-matter heuristic of "low rattling" is asymptotically exact. Intuitively, these NESS spend a greater fraction of their time in states they leave more slowly. This explanation extends to the broader class of "equiaccessible" steady states, which play a role in our analysis akin to that of equilibrium in linear response.

16.
arXiv (CS.LG) 2026-06-15

High-Frequency Pricing at Scale for E-Commerce

arXiv:2606.13741v1 Announce Type: new Abstract: This paper presents the design, development, and implementation of a specialized forecast-then-optimize algorithmic pricing tool for sales campaigns in fashion e-commerce. Sales events present unique challenges for pricing including volatile demand patterns, rapid pricing decisions, and the need to balance short-term revenue with long-term profitability. We describe our approach combining daily-resolution demand forecasting using gradient-boosted trees with a multi-objective optimization framework that maximizes both long-term profit and net merchandise value for more than 5 million articles. Our solution addresses key limitations of existing weekly-granularity systems by implementing a forecast-then-optimize architecture that reduces pricing decision time from hours to minutes. We validate our approach through 23 A/B tests across 12 markets during 2023-2024 sales campaigns at Zalando, one of Europe's leading online fashion retailers. Experimental results demonstrate that the new pricing system achieves approximately 6% higher profit while maintaining equivalent performance on sales and revenue compared to the previous manual-algorithmic hybrid approach. Based on these results, the algorithm was successfully deployed to production and now handles the majority of algorithmic pricing decisions for sales campaigns at the company.

17.
arXiv (CS.CV) 2026-06-24

Resonant Minds: Closed-Loop Social Avatars with Theory of Mind

Creating lifelike digital humans with genuine social intelligence requires unifying cognitive reasoning and multimodal generation within a coherent framework. Current approaches treat these as separate tasks: Large Language Models excel at dialogue but lack embodied expression, while diffusion-based talking head models achieve visual fidelity but ignore social cognition. To bridge this gap, we propose a closed-loop dual-agent framework integrating perception, social reasoning, and expression into a continuous interaction cycle. The perception module analyzes partners' multimodal behaviors from video, while the social reasoning module infers hidden mental states through Theory of Mind and selects responses via an ensemble mechanism. The expression module then generates emotion-controllable videos that jointly synthesize speaker speech and facial expressions with listener reactive behaviors, capturing bidirectional dynamics absent in prior work. We further construct a hierarchical Persona-Scenario dataset with psychologically grounded personas and private social goals to support evaluation under information asymmetry. Experiments on this dataset demonstrate competitive or superior performance on both dialogue quality and video generation metrics. Notably, our method surpasses even the full-information Script mode on key dialogue quality dimensions, suggesting that explicit mental state inference under uncertainty can elicit more thoughtful dialogue than unrestricted information access. Project page: https://resonantminds.github.io/.

18.
arXiv (quant-ph) 2026-06-12

Testing the problem of time with cold atoms

arXiv:2509.07745v3 Announce Type: replace-cross Abstract: We realize a cold-atom system to quantitatively test relational constructions of time. A well-isolated atomic Bose-Einstein condensate evolves in a conservative trap that is partitioned by a thin optical barrier into an observed and unobserved sector, with negligible dissipation on the experimental timescale. Motivated by relational-time approaches discussed in the Wheeler-DeWitt framework, we ask whether the dynamics of the observed sector can be ordered using only internal degrees of freedom. To this end, we construct an entropic time from an experimentally defined coarse-grained entropy, and demonstrate that it can robustly order the events in the observed sector across repeated cycles of expansion and recollapse. We finally derive an effective Schroedinger equation parameterized by this internal time and show that it is able to reproduce the measured evolution. These results establish a controlled experimental setting in which relational-time constructions can be quantitatively tested.

19.
arXiv (math.PR) 2026-06-17

Time-dependent averages of a critical long-range stochastic heat equation

arXiv:2411.09058v2 Announce Type: replace Abstract: We study the time-dependent spatial averages of a critical stochastic partial differential equation, namely the stochastic heat equation in dimension $d\geq 3$ with noise white in time and colored in space with covariance kernel $\|\cdot\|^{-2}$. The solution to this SPDE is a singular measure and was constructed by Mueller and Tribe in [MT04]. We show that the time-dependent spatial averages of this SPDE over a ball of radius $R$ at time $t$ have different limits under different space-time scales. In particular, when $t\ll R^2$, the central limit theorem holds; when $t=R^2$, the spatial average is a non-Gaussian random variable; when $t\gg R^2$, the spatial average becomes extinct.

20.
Nature (Science) 2026-06-17

Cucurbituril-based anion-conducting membranes with supramolecular nanopores

Authors:

Nanoporous anion-conducting membranes have gained considerable interest for their potential to reduce resistance in electrochemical devices1–4. Current pore-forming methods, such as backbone engineering through polymers of intrinsic microporosity5,6 or covalent organic and metal–organic frameworks7,8, however, suffer from limited structural control, mechanical fragility or demanding synthesis. Here we establish a supramolecular strategy that overcomes these limitations by constructing uniform, dynamic nanopores. Co-assembly of the rigid macrocyclic host cucurbit[7]uril with the cationic polymer guest quaternized poly(piperidinium-terphenyl) yields a robust network of nanometre-scale channels while simultaneously enhancing mechanical and chemical stability. The dynamic host–guest interactions allow the pore structure to fluctuate on picosecond and angstrom scales. This transient environment supports low-friction hydroxide migration through a Grotthuss mechanism, producing a marked enhancement in ionic conductivity. This bottom-up design principle provides a versatile new tool for molecularly engineering transport pathways and promises to advance electrochemical reactors with respect to energy efficiency, operational stability and the production of high-purity products. A supramolecular strategy, in which uniform, dynamic nanopores are constructed, overcomes the limitations of limited structural control, mechanical fragility or demanding synthesis in nanoporous anion-conducting membranes, providing a versatile tool for molecularly engineering transport pathways.

21.
arXiv (CS.AI) 2026-06-18

Recursive Joint Simulation in Games

arXiv:2402.08128v3 Announce Type: replace Abstract: Game-theoretic dynamics between AI agents could differ from traditional human-human interactions in various ways. One such difference is that it may be possible to accurately simulate an AI agent, for example because its source code is known. Such an agent would then be fundamentally uncertain whether it is in the real world or in a simulation. Our aim is to explore ways of leveraging this possibility to achieve more cooperative outcomes in strategic settings. In this paper, we study an interaction between AI agents where the agents run a recursive joint simulation. That is, the agents first jointly observe a simulation of the situation they face. This simulation in turn recursively includes additional simulations (with a small chance of failure, to avoid infinite recursion), and the results of all these nested simulations are observed before an action is chosen. We show that the resulting interaction is strategically equivalent to an infinitely repeated version of the original game, allowing a direct transfer of existing results such as the various folk theorems. As evidence that the equivalence is robust, we show that it holds even when we relax some of the assumptions and that it also holds ``from the inside'' – meaning, for an agent that finds itself inside the game and has self-locating uncertainty.

22.
arXiv (CS.AI) 2026-06-16

Mojo: A Promising Tool for Scalable Financial AI Efficiency

Authors:

arXiv:2606.16059v1 Announce Type: cross Abstract: For thirty years, quantitative finance has paid a costly two-language tax: models researched in Python are rewritten in C++ for production, often introducing numerical discrepancies. GPU-accelerated deep learning exacerbates this problem, as nondeterministic floating-point reductions can produce drift in long backtests, challenging regulatory reproducibility and auditability expectations. This article surveys Mojo, Modular's 2026 Python-like systems language, as a structural response for capital markets engineering. While closing the Python-to-C++ performance gap, Mojo uniquely combines native interoperability with the low-level systems control required to construct bit-exact deterministic kernels. Its MLIR compilation infrastructure further allows a single codebase to target scalar, SIMD, multicore, and GPU execution, reducing the translation bottleneck between research and production. We benchmark four core financial AI workloads: Monte Carlo option pricing, LLM sentiment inference, multi-asset backtesting, and portfolio Value at Risk. On Apple Silicon, Mojo demonstrates 20x to 180x speedups over pure Python on directly measured kernels; larger-scale GPU workload results are projections calibrated from published benchmarks. Alongside transparent performance data, we introduce mojo-deterministic, an open-source library of reproducible reduction kernels, and provide a candid assessment of the problems Mojo does and does not yet solve.

23.
arXiv (CS.LG) 2026-06-19

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

arXiv:2508.05762v2 Announce Type: replace-cross Abstract: Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. We introduce UniFFBench, a comprehensive evaluation framework featuring the MinX dataset – a diverse collection of 1,500+ mineral systems spanning 85 elements, extreme thermodynamic conditions (0–5000 K, 0–1000 GPa), and structural complexity, including partial occupancy and disorder. This diversity, combined with experimental reference values for validation, enables assessment of UMLFF generalization across chemical space and conditions substantially beyond typical training scenarios. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial ``reality gap'': models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. We observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method.

24.
arXiv (CS.AI) 2026-06-17

ParkingTransformer: LLM-Enhanced End-to-End Trajectory Planning for Autonomous Parking

arXiv:2606.17082v1 Announce Type: cross Abstract: End-to-end autonomous parking has emerged as a critical task within the realm of autonomous driving. However, existing methods suffer from black-box characteristics, lacking high-level semantic understanding and interpretability, which impedes the realization of seamless long-distance autonomous parking from the road to the target spot. To address these limitations, we propose ParkingTransformer, a novel framework that leverages multi-view perception and the scene understanding capability of Large Language Models (LLMs). By combining trajectory queries with LLMs implicit state features, our method interacts directly with historical information and raw sensor data to output planning trajectories, eliminating the need for dense Bird's-View (BEV) representations. To compensate for the inadequate spatial reasoning ability of LLMs, we introduce 3D positional encoding to explicitly inject spatial geometric awareness. Furthermore, a fixed-window streaming mechanism is designed for historical information processing, significantly improving long-term temporal processing efficiency and inference speed. Additionally, a coarse-to-fine decoding strategy is employed to progressively enhance trajectory precision. Extensive closed-loop experiments are conducted on the CARLA simulator and real-world vehicle platforms. The results demonstrate that our method achieves a driving score of 61.32 in CARLA simulator and an average success rate of 88.70% in real-world experiments, validating the feasibility and effectiveness of the proposed algorithms.

25.
medRxiv (Medicine) 2026-06-23

Changes in hierarchical brain dynamics of rumination following mindfulness-based cognitive therapy for depression

Major depressive disorder (MDD) is a leading cause of disability worldwide with risk of onset and recurrence linked to depressive ruminative thought patterns. Mindfulness-based cognitive therapy (MBCT) is an evidence-based treatment for depression that targets the ability to recognise, decenter, and disengage from ruminative thought patterns. Elucidating how MBCT impacts hierarchical brain organisation may be key to understanding the processes by which MBCT can modulate ruminative tendencies. In a randomised controlled functional magnetic resonance imaging (fMRI) trial on individuals with MDD (N=80) before and after MBCT in addition to treatment as usual (TAU), we investigated changes in hierarchical brain organisation during resting-state and rumination. We built whole-brain models to obtain generative connectivity (GEC) matrices per patient and quantified brain hierarchy by measuring the global directedness and regional trophic levels in each GEC, in which greater directedness reflects more directional information flow and less recurrence. Global directedness in MBCT+TAU compared to TAU increased during rumination, with no changes during resting-state. Furthermore, increased regional breadth of hierarchy during rumination was related to improvements in clinical and behavioural outcomes following MBCT+TAU. Increased brain hierarchy during rumination following mindfulness training may be consistent with a shift away from self-reinforcing negative mental loops towards more differentiated and less coupled cognitive and bodily cycles, supporting MBCT's ability to interrupt ruminative processes. Hierarchical brain dynamics may hold promise as a treatment-sensitive marker and a potential mechanism of therapeutic change in MBCT for depression.