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01.
arXiv (CS.AI) 2026-06-19

Calibration Without Comprehension: Diagnosing the Limits of Fine-Tuning LLMs for Vulnerability Detection in Systems Software

arXiv:2606.20502v1 Announce Type: cross Abstract: Whether LLMs scoring well on vulnerability benchmarks genuinely reason about security or merely pattern-match on contaminated data remains unresolved. We present CWE-Trace, a framework for LLM vulnerability detection built from 834 manually curated Linux kernel samples spanning 74 CWEs. The framework enforces a strict temporal split (pre-2025 historical set / post-cutoff leakage-free set), preserves context-aware vulnerable–patched pairs, and introduces two diagnostic metrics: the Directional Failure Index (DFI) and Hierarchical Distance and Direction (HDD). We evaluate eight vanilla LLMs and 15 LoRA fine-tuned variants across non-targeted detection, targeted detection, and CWE classification. Our analysis yields two key results. First, data contamination provides no measurable advantage. Function-level analysis shows that 84% of nominally contaminated samples carry no usable memorization signal: vulnerable functions are absent or cross-mapped across datasets, and ~31% of contaminated samples carry CWE misclassification. Second, backbone directional priors dominate fine-tuning. Models exhibit stable, systematic failure modes (DFI ranging from -85.5 to +94.8 pp) that persist from historical to post-cutoff data and resist correction. Fine-tuning shifts the output threshold without changing the decision policy. This is calibration without comprehension: output distributions adapt to training data while the underlying security reasoning remains absent. The weakest backbone at binary detection (DeepSeek-R1) gains the most in coarse CWE classification, revealing that detection and understanding are decoupled capabilities. The best detection score reaches only 52.1% (+2.1 pp above chance); exact CWE ranking remains below 1.3% Top-1 accuracy, confirming that current LLMs lack reliable security reasoning for systems software, regardless of fine-tuning strategy.

02.
arXiv (quant-ph) 2026-06-19

Truncated Wigner dynamics of biclique quantum spin glasses

作者:

arXiv:2606.20187v1 Announce Type: cross Abstract: Quantum spin glasses are often considered testbeds for studying quantum optimization algorithms and as such have been the subject of various quantum advantage claims. Here we investigate the near adiabatic dynamics of biclique quantum spin glasses within the (discrete) truncated Wigner approximation (TWA). Benchmarks on small systems show that TWA recovers sample-to-sample fluctuations of the Edwards-Anderson order parameter, over a wide range of annealing times, with increasing fidelity when the system size increases. We extract critical exponents from the Binder cumulant in line with theoretical expectations, reproducing recent quantum experiments. The computational cost of the method is minimal and it can easily be applied to tens of thousands of qubits.

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

Stationary measures for higher spin vertex models on a strip

作者:

arXiv:2309.04897v2 Announce Type: replace-cross Abstract: We introduce a higher spin vertex model on a strip with fused vertex weights. This model can be regarded as a generalization of both the unfused six-vertex model on a strip arXiv:2212.09111 and an 'integrable two-step Floquet dynamics' model introduced in arXiv:1711.08884. We solve for the stationary measure using a fused version of the matrix product ansatz and then characterize it in terms of the Askey-Wilson process. Using this characterization, we obtain the limits of the mean density along an arbitrary down-right path. It turns out that all these models share a common phase diagram, which, after an appropriate mapping, matches the phase diagram of open ASEP. This provides evidence for the universality of this phase diagram.

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

CADET: Physics-Grounded Causal Auditing and Training-Free Deconfounding of End-to-End Driving Planners

作者:

arXiv:2606.14438v1 Announce Type: cross Abstract: End-to-end (E2E) autonomous-driving planners trained by imitation are prone to statistical shortcuts: they associate scene elements that merely co-occur with expert actions (a roadside object, a building facade) with driving decisions, rather than the variables that causally determine them. Such causal confusion silently compromises reliability in long-tail scenarios, and it is difficult to detect, because prevailing open-loop metrics (L2 displacement and collision rate) are dominated by ego status and do not indicate whether a planner depends on spurious cues. Existing remedies based on causal-intervention training require retraining large models and cannot audit a planner that is already deployed. We present CADET, a training-free framework that audits, benchmarks, and repairs spurious reliance in pretrained E2E planners without any parameter update.

05.
arXiv (quant-ph) 2026-06-11

Coupled integrated photonic quantum memristors using a single photon source made of a colour center

arXiv:2602.14736v2 Announce Type: replace Abstract: Photonic quantum memristors provide a measurement-induced route to nonlinear and history-dependent quantum dynamics. Experimental demonstrations have so far focused on isolated devices or simple cascaded devices configurations. Here, we experimentally realize and characterize a network of two coupled photonic quantum memristors with crossed feedback, implemented on a silicon nitride photonic integrated circuit and fed by a room-temperature single-photon source based on a silicon-vacancy color center SiV$^-$ in a nanodiamond. Each memristor consists of an integrated Mach-Zehnder interferometer whose transfer function is adaptively updated by photon detection events on another memristor, thus generating novel non-Markovian input-output dynamics with an enhanced memristive behaviour compared to single devices. In particular, we report inter-memristor input-output hysteresis curves exhibiting larger form factors and displaying self-intersecting loops, respectively revealing marked bistability and self-intersecting hysteresis geometry. Furthermore, numerical simulations show how these features emerge from the interplay between memory depth and relative input phase, for both intra- and inter-memristor input-output relations. We experimentally test the performance of our system in the NARMA task. Our results establish coupled integrated photonic quantum memristors as scalable nonlinear building blocks and highlight their potential for implementing compact quantum neuromorphic and reservoir computing architectures.

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

Proper and improper mixed states serve as different prior beliefs for quantum state retrodiction

arXiv:2502.10030v2 Announce Type: replace Abstract: A mixed quantum state can be taken as capturing an unspecified form of ignorance; or as describing the lack of knowledge about the true pure state of the system ("proper mixture"); or as arising from entanglement with another system that has been disregarded ("improper mixture"). These different views yield identical density matrices and therefore identical predictions for future measurements. But when used as prior beliefs for inferring the past state from later observations ("retrodiction"), they lead to different updated beliefs. This is a purely quantum feature of Bayesian agency. Based on this observation, we establish a framework for retrodicting on any quantum belief and we prove a necessary and sufficient condition for the equivalence of beliefs. We also illustrate how these differences have operational consequences in quantum state recovery.

07.
arXiv (CS.CV) 2026-06-18

E-VAds: An E-commerce Short Videos Understanding Benchmark for MLLMs

E-commerce short videos represent a high-revenue segment of the online video industry characterized by a goal-driven format and dense multi-modal signals. Current models often struggle with these videos because existing benchmarks focus primarily on general-purpose tasks and neglect the reasoning of commercial intent. In this work, we first propose a multi-modal information density assessment framework to quantify the complexity of this domain. Our evaluation reveals that e-commerce content exhibits substantially higher density across visual, audio, and textual modalities compared to mainstream datasets, establishing a more challenging frontier for video understanding. To address this gap, we introduce E-commerce Video Ads Benchmark, which is the first benchmark specifically designed for e-commerce short video understanding. We curated 3,961 high-quality videos from Taobao covering a wide range of product categories and used a multi-agent system to generate 19,785 open-ended Q&A pairs, which consist of five distinct tasks. Finally, we develop E-VAds-R1, an RL-based reasoning model featuring a multi-grained reward design called MG-GRPO. This strategy provides smooth guidance for early exploration while creating a non-linear incentive for expert-level precision. Experimental results demonstrate that E-VAds-R1 achieves a 109.2% performance gain in commercial intent reasoning with only a few hundred training samples. Data is available at https://github.com/TaobaoTmall-AlgorithmProducts/E-VAds_Benchmark.

08.
arXiv (CS.AI) 2026-06-17

Using Cognitive Models to Improve Language Model Simulation of Human Persuasion Games

arXiv:2606.17657v1 Announce Type: new Abstract: People make decisions differently in strategic interactions. Some update beliefs like a Bayesian; others exhibit biases like motivated reasoning. Although creators of large language models use simulated humans for safety evaluations and training, they often fail to cover this breadth of human behavior. We argue that cognitive science and economics provide a convenient tool for doing so, making use of mathematical models of human decision-making. We propose an approach that we call Equation-to-Behavior Prompting for guiding large language models to match cognitive models, and evaluate this approach on persuasion games based on legal decision-making. We find that large models can approximate equation-based specifications – Bayesian updating, affine distortion, motivated updating, and Grether's $\alpha$-$\beta$ model – using prompting, but small models fail to do so. However, training small models with reinforcement learning to adhere to mathematical rules, Equation-to-Behavior RL, reduces belief error by 26.5% in out-of-distribution parameterizations. We show that these simulations can help create diverse training environments; training small models to consider different kinds of decision-makers improves average belief change by 2.5%–12% over Bayesian-only training, even when persuading GPT-5-mini. Our work could improve human simulations for training and evaluation in increasingly realistic settings, and could also enable novel research into more complicated mathematical models of human decision-making.

09.
arXiv (CS.AI) 2026-06-16

ControlMap: Controllable High-Definition Map Generation for Traffic Scenario Simulation

arXiv:2606.15930v1 Announce Type: cross Abstract: Simulation is central to validating autonomous driving systems, yet current pipelines are limited by insufficient scenario diversity due to costly High Definition (HD) map creation. Scaling HD maps requires expensive data collection and manual processing. Moreover, existing generative models lack the fine-grained control necessary to target specific road topologies during generation. This paper presents a data-driven pipeline for controllable HD map generation using latent diffusion and ControlNet for spatial conditioning. To our knowledge, we are the first to inject spatial guidance signals into a diffusion model for HD map synthesis. Furthermore, our model supports adjustable conditioning strength through classifier-free guidance and city-level style transfer via city label conditioning. To complement existing metrics, we introduce two novel metrics to evaluate adherence to the control signal and similarity to ground-truth maps. Experiments demonstrate that our model generates realistic HD maps that faithfully follow input road topologies while accurately preserving city-specific details.

10.
arXiv (quant-ph) 2026-06-11

Gate-tunable spin-valley transport via carrier velocity in monolayer WSe$_2$

arXiv:2606.12353v1 Announce Type: cross Abstract: We theoretically investigate spin- and valley-resolved quantum transport in monolayer tungsten diselenide (WSe$_2$) described by an effective massive Dirac Hamiltonian. Particular attention is devoted to a finite barrier region characterized by simultaneously modulated Fermi velocity and scalar potential. The barrier velocity $v_2$ is related to the external velocity $v_1$ through a velocity ratio $\xi=v_2/v_1$, motivated by an optical analogy with the Snell-Descartes law. The exact refraction condition depends on the full spin- and valley-resolved dispersion, and the simple ratio $\xi=v_2/v_1$ is recovered only in the massless, symmetric limit. The interplay of intrinsic spin-orbit coupling in the conduction and valence bands, quantified by $\lambda_c$ and $\lambda_v$, with spin- and valley-dependent Zeeman fields, $M_s$ and $M_v$, gives rise to substantial changes in the quasiparticle dispersion, leading to pronounced modifications of the transport characteristics. By solving the Dirac equation and enforcing current-conserving matching conditions at the interfaces, we compute the spin- and valley-dependent transmission probability and conductance. Our results demonstrate that the barrier velocity, scalar potential, incidence angle, incident energy, and barrier width serve as effective control parameters for transport, giving rise to strong anisotropy and resonant tunneling features. Furthermore, we show that both the magnitude and orientation of spin- and valley-polarized currents can be continuously tuned via velocity and potential modulation. These findings establish combined velocity and potential engineering as a powerful theoretical framework for controlling spin-valley physics in two-dimensional transition-metal dichalcogenides.

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

Causal Object-Centric Models for Planning with Monte Carlo Tree Search

arXiv:2606.14418v1 Announce Type: new Abstract: We introduce COMET (Causal Object-centric Model for Efficient Tree search), a model-based reinforcement learning algorithm that performs Monte Carlo Tree Search in a slot-structured latent space. COMET pairs a frozen unsupervised object-centric encoder with a transformer-based world model, in which actions are bound to objects through a novel action-slot fusion mechanism that is used in slot transition prediction. Policy and value heads use object-causal attention, modulating token interactions by learned per-slot relevance scores so that decision-making concentrates on task-relevant entities. COMET adds an explicit object-level inductive bias to MuZero-style latent planning. Across eight visually and dynamically diverse tasks from the Object-Centric Visual RL benchmark, ManiSkill, Robosuite, and VizDoom, COMET achieves a higher mean normalized score during the early stages of training compared to object-centric and monolithic baselines.

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

Semantics-Enhanced Retrieval-Augmented Time Series Forecasting

arXiv:2606.14941v1 Announce Type: new Abstract: Time series forecasting models often benefit from historical patterns. Inspired by Retrieval-Augmented Generation (RAG), recent research explored retrieving relevant historical time series segments to enhance forecasting. However, relying solely on time series similarity is often insufficient for retrieval under non-stationarity. To address this, we propose a multimodal approach: a Semantics-Enhanced Retrieval-Augmented Time Series Forecasting framework, SERAF. Unlike mainstream approaches that depend only on time series similarity, SERAF conducts dual retrieval over the time series and their self-generated textual descriptions. It retrieves two complementary sets of historical patterns and corresponding futures, which are selectively and jointly used to guide future predictions. Experiments across seven real-world datasets demonstrate the effectiveness of SERAF in bridging numerical and semantic views of time series compared with state-of-the-art baselines.

13.
bioRxiv (Bioinfo) 2026-06-08

TRACEY: an updated resource for SNARE protein domain annotation with improved HMMs and expanded sequence coverage

Motivation: SNARE proteins catalyse membrane fusion across the eukaryotic endomembrane system, from synaptic vesicle exocytosis to intracellular trafficking, endosomal and vacuolar transport, and autophagy, and their accurate domain annotation depends on the quality of profile models and the sequence diversity behind them. The original SNARE domain classification predates the recent expansion of eukaryotic sequence data, leaving its HMM profiles and subgroup coverage unable to resolve divergent and lineage-specific paralogs. Results: We present an updated release of TRACEY built on a resynchronized, non-redundant collection of 18,915 curated SNARE proteins spanning 1,188 species, together with a consolidated set of 83 HMM profiles, including 43 models for newly defined subgroups, reconstructed through an iterative, mixture-model-driven procedure. In direct comparison with the legacy models, at least ~75% of sequences in every overlapping group scored better with the new HMMs, indicating systematic gains in domain detection. A redesigned web interface adds multiparameter querying, FASTA download, and direct scanning of user-submitted sequences against the curated profiles. Availability and implementation: TRACEY is freely available at https://tracey.unil.ch.

14.
arXiv (quant-ph) 2026-06-12

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

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

15.
arXiv (CS.CV) 2026-06-12

JointEdit3D: Feed-Forward 3D Scene Editing in a Unified Latent Space

Existing 3D scene editing methods typically rely on per-scene optimization over explicit 3D representations or cascaded edit-and-reconstruct pipelines, resulting in high test-time cost, limited 3D awareness, and structural inconsistencies. To couple appearance synthesis and geometry prediction during editing, we build on a unified RGB-geometry reconstruction-generation latent space and adapt it to feed-forward 3D scene editing. The resulting framework, JointEdit3D, performs asymmetric latent inpainting by observing only a single edited RGB reference latent and generating the remaining RGB views and edited geometry latent under source-scene anchoring. JointEdit3D introduces a dedicated SceneAnchor Branch to inject source-scene structure without forcing direct copying, and adopts edit/background-aware losses to balance edited-region fidelity with unedited-content preservation. To address the lack of paired resources for standardized 3D scene editing evaluation, we introduce SceneEdit3D-15K, a dataset with 15K paired editing samples and renderer-provided 3D annotations, together with SceneEdit3D-Bench, a curated 100-sample benchmark. Experiments show that JointEdit3D improves edited-region quality and 3D structural completeness over prior baselines while maintaining competitive background preservation.

16.
arXiv (CS.AI) 2026-06-11

Irresponsible AI: big tech's influence on AI research and associated impacts

arXiv:2512.03077v2 Announce Type: replace-cross Abstract: The accelerated development, deployment and adoption of artificial intelligence systems has been fuelled by the increasing presence of big tech in the AI field. This trend has been accompanied by growing ethical concerns and intensified societal and environmental impacts. This position paper argues that irresponsible AI development is strongly driven by big tech's influence and involvement in the field. First, we examine the growing and disproportionate influence of big tech in AI research and argue that its drive for scaling and general-purpose systems is fundamentally at odds with the responsible, ethical, and sustainable development of AI. Second, we review key current environmental and societal negative impacts of AI and trace their connections to big tech's influence. Third, we discuss the underlying economic forces driving big tech's actions. Finally, as a call to action, we invite AI researchers to counter big tech's influence in irresponsible AI development through strategies that build on the responsibility of implicated actors and collective action.

18.
arXiv (CS.CV) 2026-06-16

MMDiff: Extending Diffusion Transformers for Multi-Modal Generation

Diffusion transformers have demonstrated remarkable generative capabilities, yet the rich perceptual representations computed across their denoising trajectory are discarded once the content is rendered. We present MMDiff, a framework that transforms a frozen diffusion transformer into a multi-modal generative system that jointly produces images alongside any combination of dense perceptual modalities using lightweight decoder heads. Our central finding is that perceptual information is temporally distributed along the denoising trajectory, and that multi-timestep feature fusion with spatially varying aggregation weights is essential, improving semantic segmentation results by up to 28.7% mIoU over single-timestep extraction. We further adopt concept-driven attention extraction for interpretable spatial guidance, and show that frozen diffusion features are competitive with and complementary to state-of-the-art encoders such as DINOv3. By training only lightweight decoder heads on a frozen backbone, we achieve strong performance in semantic segmentation, salient object detection, and depth estimation, and demonstrate that this framework enables effective synthetic data generation at scale.

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

RAIGen: Rare Attribute Identification in Text-to-Image Generative Models

Text-to-image diffusion models achieve impressive generation quality but inherit and amplify training-data biases, skewing coverage of semantic attributes. Prior work addresses this in two ways. Closed-set approaches mitigate biases in predefined fairness categories (e.g., gender, race), assuming socially salient minority attributes are known a priori. Open-set approaches frame the task as bias identification, highlighting majority attributes that dominate outputs. Both overlook a complementary task: uncovering rare or minority features underrepresented in the data distribution (social, cultural, or stylistic) yet still encoded in model representations. We introduce RAIGen, the first framework, to our knowledge, for label-free rare-attribute discovery in diffusion models, requiring no predefined minority categories. RAIGen leverages Matryoshka Sparse Autoencoders and a novel minority metric combining neuron activation frequency with semantic distinctiveness to identify interpretable neurons whose top-activating images reveal underrepresented attributes. Experiments show RAIGen discovers attributes beyond fixed fairness categories in Stable Diffusion, scales to larger models such as SDXL, supports systematic auditing across architectures, and enables targeted amplification of rare attributes during generation. The project page is available at https://vssilpa.github.io/RAIGen_webpage/ .

20.
arXiv (CS.CL) 2026-06-12

Understanding helpfulness and harmless tension in reward models

Reward models are a key component of reinforcement learning from human feedback (RLHF), aligning language models toward both helpful and harmless behaviour. However, the internal mechanisms underlying these objectives and their conflicts remain poorly understood. We study alignment tension in reward models trained under helpfulness-only, harmlessness-only, and mixed-objective settings. We find that mixed-objective models often underperform single-objective models, indicating interference between objectives. Using activation-based methods, we identify neurons associated with each objective and study their functional roles via targeted ablations. We find that these neurons causally support their corresponding objectives while often negatively affecting the opposing one. We find that a substantial proportion of neurons are shared between helpfulness and harmlessness, and that these shared neurons exert a disproportionate influence on model behaviour, contributing to alignment tension. Additionally, our results provide insights and mechanistic interpretation into how alignment objectives are represented in reward models and why multi-objective alignment remains challenging, motivating future work on disentangled and controllable alignment methods.

21.
arXiv (quant-ph) 2026-06-17

Singular Vector Finite Element Basis Functions for Tetrahedra in Complex Electromagnetic Geometries

arXiv:2606.18140v1 Announce Type: cross Abstract: Electromagnetic finite element method (FEM) implementations using traditional basis functions struggle to accurately represent field behavior near singular features such as conducting wedges. To combat this, specialized singular basis functions have been introduced to directly model the singular fields in these regions, leading to substantially improved performance. While these efforts have been pursued extensively in 2D, few functions have been developed for 3D elements. In this work, we develop basis functions for this in tetrahedra. Unlike prior functions, these basis functions are additive, meaning they are included alongside the standard vector basis functions to achieve more robust performance. Further, these functions are designed to be adaptable to tetrahedra touching several unique singular features by using combinations of basis functions singular with respect to each node and edge in the element, making them applicable to highly complex geometries. Higher-order interpolatory versions of the basis functions for modeling singular behavior with greater accuracy are also provided. These basis functions lead to substantial improvements in accuracy relative to the standard basis functions, and allow otherwise expensive simulations to be performed at far lower costs. As an application example, we perform simulations to extract critical quantities for designing superconducting qubits that significantly depend on the behavior of singular fields. In Ansys HFSS, this took 21.27 hours and a peak memory usage of 6.23 TB with 800 processors available, while using our singular basis functions achieved comparable results in 196 seconds while using 27.24 GB of memory and only 16 processors. Due to these benefits, our singular basis functions could be applied to enable design optimization of electromagnetic geometries with dominantly singular behavior, such as superconducting qubits.

22.
arXiv (CS.LG) 2026-06-18

DIPHINE: Diffusion-based $\Phi$-ID Neural Estimator

arXiv:2606.18997v1 Announce Type: new Abstract: Uncovering the true informational architecture of real-world complex systems requires disentangling how their components uniquely store, redundantly share, and synergistically integrate information over time. Integrated Information Decomposition ($\Phi$ID) is a framework for decomposing the information dynamics of multivariate systems into sixteen non-overlapping atoms that characterize redundant, unique, and synergistic modes of information storage, transfer, and integration. Existing methods to compute $\Phi$ID are restricted to Gaussian or discrete systems, preventing its application to continuous non-Gaussian dynamical systems. We address this limitation by proposing DIPHINE (Diffusion-based $\Phi$-ID Neural Estimator), the first neural estimator that leverages score-based diffusion models to jointly estimate all the mutual information terms required by $\Phi$ID from a single amortized network, recovering the sixteen atoms through Möbius inversion. We provide a theoretical analysis of error propagation through the inversion, showing that the Jacobian of the mapping from mutual informations to atoms is integer-valued and that the synergy-to-synergy atom is provably the hardest to estimate. We demonstrate accurate recovery of ground-truth atoms on synthetic benchmarks, superior performance compared to established mutual information estimators, and the ability to extract physiologically interpretable information-dynamic structure on an application involving real data without any distributional assumptions.

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

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

arXiv:2606.20373v1 Announce Type: cross Abstract: Large Language Models (LLMs) show promise for code compilation tasks, but applying them to runtime performance tuning is difficult due to complex microarchitectural effects and noisy runtime measurements. We present AutoPass, a multi-agent framework for compiler performance tuning that uses compiler and runtime evidence to guide LLM-generated optimization decisions. Rather than treating the compiler as a black box like prior auto-tuning schemes, AutoPass opens up the compiler to the LLM, enabling it to query compiler-internal optimization states and analyze the intermediate representation to orchestrate compiler options. The search process iteratively refines optimization configurations using measured runtime feedback to diagnose regressions and guide latency-improving edits. AutoPass operates in an inference-only, training-free setting and requires no offline training or task-specific fine-tuning, making it readily applicable to new benchmarks and platforms. We implement AutoPass on the LLVM compiler and evaluate it on server-grade x86-64 and embedded ARM64 systems. AutoPass outperforms expert-tuned heuristics and classical autotuning methods, achieving geometric-mean speedups of 1.043x and 1.117x over LLVM -O3 on x86-64 and ARM64, respectively.

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

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

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

25.
arXiv (math.PR) 2026-06-16

Purely unrectifiable sets, fractal percolation and graphs of functions

arXiv:2606.15745v1 Announce Type: cross Abstract: This paper contains a survey of some of the results of the author related to unrectifiablity and is an extended version of the author's talk given at the Second Winter School Geometric Measure Theory Rectifiability vs. Pure Unrectifiability in Hanghzou, China. These results include irregular/purely unrectifiable $1$-sets on the graphs of continuous functions like the Takagi, the Weierstrass-Cellerier and the typical (in the sense of Baire) continuous function. It is also discussed that there exists $ {\alpha}_{0}\alpha_0$. The background of the $1$-unrectifiability is discussed in more detail.