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01.
arXiv (quant-ph) 2026-06-24

Topological entanglement and number theory

arXiv:2410.01492v3 Announce Type: replace-cross Abstract: The recent developments in the study of topological multi-boundary entanglement in the context of 3d Chern-Simons theory (with gauge group $G$ and level $k$) suggest a strong interplay between entanglement measures and number theory. The purpose of this note is twofold. First, we introduce a $q$-deformed version of the Witten zeta function using the Chern-Simons theory at level $k$. We analyze the large $k$ limit of this function and show that it converges to an integer multiple of the classical Witten zeta function of $G$, where the integer multiple is precisely the order of the center of the group. This analysis provides an alternative way to compute the classical zeta functions, and we present some examples. Next, we study the quantum state associated with the $S^3$ complement of torus links of type $T_{p,p}$ and show that we can write the Rényi entropies at finite $k$ in terms of $q$-deformed Witten zeta functions. Using our first result, we obtain the $k \to \infty$ limit of the Rényi entropies and find that the entropies converge to finite values, which can be written in terms of the classical Witten zeta functions evaluated at positive integers. Since Witten zeta functions naturally appear in the symplectic volumes of moduli spaces of flat connections on Riemann surfaces, we give a geometric interpretation of the $k \to \infty$ limit of the Rényi and entanglement entropies in terms of these volumes. The results of this paper reveal an intriguing connection between topological entanglement, number-theoretic structures arising from Witten zeta functions, and the geometry of moduli spaces.

02.
arXiv (CS.CL) 2026-06-16

Utility-Diversity Aware Online Batch Selection for LLM Supervised Fine-tuning

Supervised fine-tuning (SFT) is a commonly used technique to adapt large language models (LLMs) to downstream tasks. In practice, SFT on a full dataset is computationally expensive and sometimes suffers from overfitting or bias amplification. This facilitates the rise of data curation in SFT, which prioritizes the most valuable data to optimze. This work studies the online batch selection family that dynamically scores and filters samples during the training process. However, existing popular methods often (i) rely merely on the utility of data to select a subset while neglecting other crucial factors like diversity, (ii) rely on external resources such as reference models or validation sets, and (iii) incur extra training time over full-dataset training. To address these limitations, this work develops UDS (Utility-Diversity Sampling), a framework for efficient online batch selection in SFT. UDS leverages the nuclear norm of the logits matrix to capture both data utility and intra-sample diversity, while estimating inter-sample diversity through efficient low-dimensional embedding comparisons with a lightweight memory buffer of historical samples. Such a design eliminates the need for external resources and unnecessary backpropagation, securing computational efficiency. Experiments on multiple benchmarks demonstrate that UDS consistently outperforms state-of-the-art online batch selection methods under varying data budgets, and significantly reduces training time compared to full-dataset fine-tuning. Code is available at https://github.com/gfyddha/UDS.

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

Physics-Driven Zero-Shot MRI Reconstruction with Non-local Image Priors

Zero-Shot Self-Supervised Learning (ZS-SSL) has emerged as a promising paradigm for accelerated Magnetic Resonance Imaging (MRI) reconstruction, eliminating the reliance on fully-sampled external datasets. However, learning solely from a single under-sampled scan suffers from supervision scarcity and optimization instability, often leading to overfitting or artifacts. To address these challenges, we propose a robust physics-driven ZS-SSL framework that synergizes physical consistency with image-domain non-local priors. Our method introduces three core innovations: (1) a Coil Sensitivity Map (CSM)-Guided Dynamic Repository, which stabilizes the training trajectory by filtering physically inconsistent artifacts based on coil sensitivity constraints; (2) a SPIRiT-based regularization, which enforces k-space self-consistency via a learned correlation kernel and stochastic masking; (3) a Non-Local Self-Similarity (NSS) Pixel Bank, which leverages the high-fidelity reference established by the former modules to explicitly mine non-local anatomical similarities, thereby augmenting supervision in the image domain. Extensive experiments on the FastMRI dataset demonstrate that our approach achieves state-of-the-art performance, particularly under high acceleration factors, effectively bridging the gap between zero-shot learning and supervised methods. The code is available at https://github.com/Zolento/NS-SSL.

04.
arXiv (CS.AI) 2026-06-16

Sample from What You See: Visuomotor Policy Learning via Diffusion Bridge with Observation-Embedded Stochastic Differential Equation

arXiv:2512.07212v3 Announce Type: replace Abstract: Imitation learning with diffusion models has advanced robotic control by capturing the multi-modal action distributions. However, existing methods typically treat observations only as high-level conditions to the denoising network, rather than integrating them into the stochastic dynamics of the diffusion process itself. As a result, the sampling is forced to begin from random noise, weakening the coupling between perception and control and often yielding suboptimal performance. We propose BridgePolicy, a generative visuomotor policy that directly integrates observations into the stochastic dynamics via a diffusion-bridge formulation. By constructing an observation-informed trajectory, BridgePolicy enables sampling to start from a rich and informative prior rather than random noise, substantially improving precision and reliability in control. A key difficulty is that diffusion bridge normally connects distributions of matched dimensionality, while robotic observations are heterogeneous and not naturally aligned with actions. To overcome this, we introduce a semantic aligner to unify the visual and state inputs and align the observations with action representations, making diffusion bridge applicable to heterogeneous robot data. Extensive experiments across 52 simulation tasks on three benchmarks and 5 real-world tasks demonstrate that BridgePolicy consistently outperforms state-of-the-art generative policies. Our code is available at https://jianghcsr.github.io/BridgePolicy_page/.

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

Credibility-Weighted Pricing of Autonomous Vehicle Liability Under Operational Design Domain Shift

作者:

arXiv:2606.17451v1 Announce Type: new Abstract: Automated Driving System deployments create a foundational ratemaking challenge: sparse experience, shifting operational design domains, and non-stationary risk across software releases. We propose a hierarchical Bayesian credibility framework pooling across cities, software versions, and territories via a learned ODD-similarity kernel, nesting Buhlmann-Straub as a limiting case. Demonstrated on 648 verified-engaged Waymo crashes across four U.S. metros from the NHTSA Standing General Order database against 116 million matched miles, city-aggregate credibility weights are moderate (0.12-0.46), partial pooling decisively outperforms no pooling, and a power analysis shows the learned kernel's advantage becomes detectable at approximately twelve deployed cities.

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

JAMER: Project-Level Code Framework Dataset and Benchmark on Professional Game Engines

Current AI-driven game development has made substantial progress in asset generation, gameplay design, and web-based game coding, yet project-level code engineering on professional game engines remains largely unexplored due to the absence of large-scale datasets and deterministic evaluation methods. We present JamSet and JamBench, the first project-level game code framework dataset and benchmark built on a professional game engine. Our key insight is that Game Jam competitions, community events where developers build complete games under tight time constraints, yield thousands of open-source projects suitable for this purpose. Building on the Godot engine's text-based format and headless execution mode, we design a deterministic verification pipeline from file integrity to runtime behavior collection, distilling 8,133 verified projects from over 240,000 repositories. Of these, 300 manually verified projects form JamBench; the rest constitute JamSet. JamBench defines theme-driven generation and code completion tasks, evaluated through a pipeline combining compilation pass rates, Structural Completeness Score (SCS), and Behavioral Alignment Score (BAS). Evaluation of 9 frontier models reveals a capability cliff as project scale increases, with runtime pass rates dropping from 80.4% on small projects to 5.7% on large ones (Task2a). Code Agents improve compilation rates yet yield no gains in runtime behavioral quality, indicating that the bottleneck lies in architectural design rather than syntactic correctness. Experiments validate JamSet as effective training data. All data and code are publicly available.

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

Bridging Passive and Active: Enhancing Conversation Starter Recommendation via Active Expression Modeling

Large Language Model (LLM)-driven conversational search is shifting information retrieval from reactive keyword matching to proactive, open-ended dialogues. In this context, Conversation Starters are widely deployed to provide personalized query recommendations that help users initiate dialogues. Conventionally, recommending these starters relies on a closed "exposure-click" loop. Yet, this feedback loop mechanism traps the system in an echo chamber where, compounded by data sparsity, it fails to capture the dynamic nature of conversational search intents shaped by the open world. As a result, the system skews towards popular but generic suggestions. In this work, we uncover an untapped paradigm shift to shatter this harmful feedback loop: harnessing user "free will" through active user expressions. Unlike traditional recommendations, conversational search empowers users to bypass menus entirely through manually typed queries. The open-world intents in active queries hold the key to breaking this loop. However, incorporating them is non-trivial: (1) there exists an inherent distribution shift between active queries and formulated starters. (2) Furthermore, the "non-ID-able" nature of open text renders traditional item-based popularity statistics ineffective for large-scale industrial streaming training. To this end, we propose Passive-Active Bridge (PA-Bridge), a novel framework that employs an adversarial distribution aligner to bridge the distributional gap between passively recommended starters and active expressions. Moreover, we introduce a semantic discretizer to enable the deployment of popularity debiasing algorithms. Online A/B tests on our platform, demonstrate that PA-Bridge significantly boosts the Feature Penetration Rate by 0.54% and User Active Days by 0.04%.

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

ActiveScope: Actively Seeking and Correcting Perception for MLLMs

Multimodal Large Language Models (MLLMs) have demonstrated impressive vision-language understanding, yet still struggle with fine-grained perception in high-resolution images. While existing training-free methods typically rely on attention-based localization or coarse-to-fine search, they are often misled by distractors and fail to locate multiple targets. Our investigation attributes these failures to Contextual Dominance, where salient distractors overwhelm target attention and cause inaccurate localization, and Semantic Bias, where global semantics cause the model to fixate on the most salient concept, resulting in incomplete localization in multi-object scenarios. Built on these insights, we propose ActiveScope, a training-free framework that enhances MLLMs by actively seeking and correcting perception. ActiveScope features two modules. The Semantic Anchor Localization (SAL) utilizes fine-grained semantic anchors to independently localize key targets, thereby mitigating semantic bias. The Interference-Suppressed Refinement (ISR) refines localization by suppressing attention on salient distractions to overcome contextual dominance. Extensive experiments on high-resolution image understanding benchmarks demonstrate that ActiveScope outperforms existing training-free methods (e.g., 96.34 percent accuracy on $V^{*}$ Bench), validating the superiority of the active search and self-correction paradigm. Our code is available at https://github.com/jasmine-ww/ActiveScope.

09.
arXiv (CS.AI) 2026-06-19

BrainG3N: A Dual-Purpose Tokenizer for Controllable 3D Brain MRI Generation

arXiv:2606.19651v1 Announce Type: new Abstract: Three-dimensional (3D) brain MRI is central to clinical neurology and neuro-oncology, where generative models could augment under-represented cohorts, simulate disease trajectories, and support privacy-preserving data sharing. Latent diffusion has been the go-to solution for modeling imaging data, but it places two competing demands on the tokenizer: encoder embeddings must retain the clinical information that downstream tasks act on, and the decoder must reconstruct anatomically faithful volumes. Existing reconstruction-driven tokenizers achieve the second at the expense of the first. To address this, we introduce a fully volumetric masked-autoencoder (MAE) based tokenizer for 3D brain MRI latent diffusion, decoupling encoder and decoder: a frozen 3D MAE encoder produces clinically informative embeddings, while a dedicated CNN decoder reconstructs voxels from a linear projection of those embeddings. We pretrain the encoder on 35,309 volumes from 18 public cohorts spanning four modalities, ten disease categories, and 200+ acquisition sites, and demonstrate its dual utility in two settings. First, on a 23-task linear-probing benchmark, the encoder outperforms or matches SOTA models (i.e., BrainIAC, BrainSegFounder, and MedicalNet) on 21 of 23 tasks. Second, a conditional diffusion transformer (DiT) trained on these clinically informative embeddings supports both conditional generation across six variables and patient-specific longitudinal forecasting. Together these results establish a single 3D brain-MRI embedding space capable of both downstream clinical tasks and controllable generation.

10.
arXiv (math.PR) 2026-06-16

Delayed acceptance sampling with Hamiltonian proposal subchains for random field materials inference

arXiv:2606.14743v1 Announce Type: cross Abstract: This paper focuses on accelerating Markov chain Monte Carlo sampling in Bayesian inverse problems in which forward model evaluations dominate the computational cost. It builds on several established ingredients previously used in related scenarios: delayed acceptance, neural network surrogate models, Hamiltonian proposals, and proposal subchains. The main framework is the delayed-acceptance Metropolis-Hastings algorithm of Christen and Fox (2005). The first-stage proposal distribution is constructed from a subchain of Hamiltonian trajectories targeting the surrogate posterior. For each fixed surrogate model, the Hamiltonian subchain and delayed-acceptance correction define a kernel invariant with respect to the exact posterior. In the present work, the surrogate is updated only during a burn-in phase, after which the production run uses a fixed surrogate model. The sampling framework is implemented in Python using parallel processes. Several chains are generated in parallel and share a single surrogate model trained during burn-in on all collected data. The forward model is treated as a black box; therefore, the application area is broad. However, the main motivation is efficient solution of geotechnical inverse problems with material properties represented by Gaussian random fields. In this study, the sampling framework is applied to a geotechnical inverse problem in which hydraulic conductivity and porosity are modeled as non-stationary Gaussian random fields approximated using truncated Karhunen-Loeve expansions. Based on a precomputation, the truncation dimensions are chosen separately for hydraulic conductivity and porosity. The forward model outputs are pore pressure values at control points and selected observation times. These are compared with in situ pore pressure measurements collected over one year during the Tunnel Sealing Experiment in an underground laboratory in Canada.

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

Can Vision Foundation Models Navigate? Zero-Shot Real-World Evaluation and Lessons Learned

arXiv:2603.25937v2 Announce Type: replace-cross Abstract: Visual Navigation Models (VNMs) promise generalizable, robot navigation by learning from large-scale visual demonstrations. Despite growing real-world deployment, existing evaluations rely almost exclusively on success rate, whether the robot reaches its goal, which conceals trajectory quality, collision behavior, and robustness to environmental change. We present a real-world evaluation of five state-of-the-art VNMs (GNM, ViNT, NoMaD, NaviBridger, and CrossFormer) across two robot platforms and five environments spanning indoor and outdoor settings. Beyond success rate, we combine path-based metrics with vision-based goal-recognition scores and assess robustness through controlled image perturbations (motion blur, sunflare). Our analysis uncovers three systematic limitations: (a) even architecturally sophisticated diffusion and transformer-based models exhibit frequent collisions, indicating limited geometric understanding; (b) models fail to discriminate between different locations that are perceptually similar, however some semantics differences are present, causing goal prediction errors in repetitive environments; and (c) performance degrades under distribution shift. We will publicly release our evaluation codebase and dataset to facilitate reproducible benchmarking of VNMs.

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

Mind the Heads: Topological Representation Alignment for Multimodal LLMs

Representation alignment has emerged as an effective approach to improve Multimodal Large Language Models (MLLMs) by regularizing their internal representations toward those of an external vision encoder. However, existing methods typically align a fixed layer of the language backbone, overlooking the fine-grained structure of Transformer models. In this work, we propose Head-Wise Representation Alignment (HeRA), a method that enforces cross-modal alignment at the level of individual attention heads. Our approach is grounded in the Platonic Representation Hypothesis, focusing on preserving the topological structure of representations (i.e., their local neighborhood relationships) across modalities. Following the Mutual K-Nearest Neighbor (MKNN) alignment metric, we introduce a contrastive objective that acts as a differentiable proxy for matching local structures. HeRA applies this objective during multimodal training to specific attention heads in the LLM, selected by their alignment score according to the MKNN metric. Counterintuitively, we find that aligning the least aligned heads yields the largest gains. Extensive evaluations across multiple MLLMs and 18 benchmarks demonstrate that HeRA consistently improves performance on challenging vision-centric tasks and serves as an effective regularizer against visual hallucinations by naturally curbing the over-reliance on linguistic priors. Our code is publicly released.

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

Graphical-Probabilistic Modeling of Generative Flows in LLM-Native Software Systems

arXiv:2606.15943v1 Announce Type: cross Abstract: Engineering LLM-native software remains a challenging and immature field. Current practice is largely exploratory, relying on experimentation and heuristic techniques such as prompting and context engineering. These, however, are low-level and lack the principled structure needed to support design-level reasoning or analysis. In contrast, traditional software engineering leverages modularity and abstraction to communicate and analyze system behavior. To bring similar rigor to LLM-native development, we propose methods for documenting generative flows and for stating properties of LLM-based software designs. Such methods must account for the stochastic, prompt-dependent behavior of large language models while remaining expressive enough to capture emergent phenomena. Our initial approach is based on graphical probabilistic models, tailored to capture phenomena characteristic of LLM-native systems. This framework – what we term Generation Networks – aims to provide a foundation for principled reasoning about generative interactions and system-level properties in LLM-centric software architectures.

14.
arXiv (CS.CV) 2026-06-11

Seeing What Matters: Perceptual Wrapper with Common Randomness for 3D Gaussian Splatting

While 3D Gaussian Splatting (3DGS) achieves impressive real-time rendering, it frequently struggles to synthesize high-frequency textures, a limitation heavily exacerbated in memory-constrained and rate-distortion-optimized (RDO) pipelines. To address this, we propose a versatile 2D perceptual wrapper that enhances the rendered outputs of existing 3DGS representations in a content- and view-dependent manner. Our method leverages a lightweight synthesis network conditioned on pseudo-random Gaussian noise to synthesize perceptually plausible textures. Supervised by Wasserstein Distortion, the network learns to match local feature statistics rather than strictly enforcing pixel-wise reconstruction fidelity, effectively mitigating the blurriness inherent in standard frameworks. We demonstrate the broad applicability of our plug-and-play approach across vanilla, memory-constrained, and RDO 3DGS methods. Comprehensive subjective and objective experiments confirm that our method significantly improves over existing baselines, yielding superior perceptual quality at sharply reduced file or model sizes.

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

SpatioTemporal Causal Network Diagnostics for Geographic Tipping Point Early Warning

arXiv:2606.17553v1 Announce Type: new Abstract: Geographic tipping points in ecosystems, climate subsystems, or ice sheets pose severe challenges for localized early warning. Classical spatial indicators such as Moran's I summarize global spatial structure, but they struggle with three issues: spatial dilution, Euclidean assumptions, and correlated noise. This paper introduces SpatioTemporal Causal Network Diagnostics (ST-CND), a framework that addresses these three issues by representing the geographic field as a time-evolving directed causal network. The core workflow is as follows: (1) infer which spatial nodes help predict other nodes via transfer entropy, replacing fixed Euclidean neighborhoods with data-driven information-flow topology; (2) estimate local recovery rates within each candidate subnetwork via dynamic mode decomposition; and (3) identify the most vulnerable subnetwork by combining three signals, namely high internal fluctuation, high internal synchronization, and low external coupling, thereby suppressing false alarms from spatially correlated noise. Validated on synthetic bifurcations and two observational sea-surface temperature benchmarks, namely Indo-Pacific SST and North Atlantic AMOC, ST-CND delivers localized and interpretable warnings. On the AMOC task, it achieves an AUROC of 0.783 and a critical-subnetwork IoU of 0.378, outperforming recurrence-network and lambda-AR1 baselines. The framework provides an interpretable and scalable pipeline for spatial early warning in Earth system science.

16.
bioRxiv (Bioinfo) 2026-06-22

PhaseWY: A pipeline for haplotype phasing, sex chromosome identification and extraction of sex-limited sequences

Sex chromosomes are central to many ecological and evolutionary processes. Evidence has accumulated that sex chromosome systems vary extensively in age, turnover and transitions, motivating renewed efforts to study the diversity of sex chromosome systems across the tree of life. However, successful genomic detection of sex chromosomes depends on several factors, including the size and divergence time, background genetic diversity, and the number of sequenced females and males. In addition, technical challenges associated with sequencing and analysing the sex-limited Y/W chromosome remain. Here, we present PhaseWY, an automated Snakemake pipeline that uses whole-genome sequencing data from multiple female and male individuals to identify sex-chromosomal regions and extract the corresponding Y/W sequences. PhaseWY (i) detects sex differences in alignment depth, (ii) applies read-based and statistical haplotype phasing, (iii) identifies sex-linked regions using haplotype clustering, and (iv) subsets autosomal, X/Z- and Y/W-linked variants for downstream analyses. We applied PhaseWY to simulated data to benchmark factors influencing sex-linkage detection and successful extraction of Y/W-linked variants. To demonstrate its practical utility, we further applied PhaseWY to the neo-sex chromosome system in Alauda larks (Alaudidae) and performed a range of downstream analyses demonstrating the scope of applications of the PhaseWY output. We conclude that PhaseWY provides an easy-to-use and reproducible tool for population-genomic analyses in non-model organisms, with particular importance for advancing our understanding of sex-chromosome evolution.

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

Can Language Model Agents be Helpful Circuit Explainers in Mechanistic Interpretability?

arXiv:2606.24026v1 Announce Type: new Abstract: Mechanistic interpretability has made substantial progress in automatically localizing circuits, but explaining what localized components do remains labor-intensive and difficult to standardize. In this work, we study whether language model (LM) agents can assist with this explanation problem once a circuit has already been identified. We introduce AgenticInterpBench, a benchmark for circuit explanation built from 84 semi-synthetic transformer circuits with 163 component-level annotations. We propose HyVE (Hypothesize, Validate, Explain), an agentic explainer that analyzes each component through an iterative loop of observation, hypothesis generation, and causal validation, eventually producing a component-level explanation and a circuit-level task description. Across four LM backbones, HyVE recovers useful component- and task-level explanations, but no backbone is uniformly best. Our analysis shows that strong backbones usually form observation-grounded hypotheses, while failures more often arise later in the validation loop, through incomplete validation plans, code execution errors, or unresolved hypotheses. A case study on an arithmetic circuit in Llama-3-8B shows that the same formulation can extend beyond semi-synthetic benchmarks to naturally trained models. Overall, LM agents are promising circuit explainers, but reliable validation remains the key obstacle.

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

Pragmatic Inference for Moral Reasoning Acquisition: Generalization via Metapragmatic Links

While moral reasoning has emerged as a promising research direction for large language models (LLMs), achieving robust generalization remains a critical challenge. This challenge arises from the gap between what is said and what is morally implied. In this paper, we build on metapragmatic links and Moral Foundations Theory to close this gap. Specifically, we develop a pragmatic inference approach that enables LLMs, given a moral situation, to acquire the metapragmatic links between moral reasoning objectives and the social variables that influence them. We adapt this approach to three different moral reasoning tasks to demonstrate its adaptability and generalizability. Experimental results show that our approach significantly enhances LLMs' generalization in moral reasoning, paving the way for future research to leverage pragmatic inference across a wide range of moral reasoning tasks.

19.
arXiv (CS.AI) 2026-06-12

MiniMax Sparse Attention

arXiv:2606.13392v1 Announce Type: new Abstract: Ultra-long-context capability is becoming indispensable for frontier LLMs: agentic workflows, repository-scale code reasoning, and persistent memory all require the model to jointly attend over hundreds of thousands to millions of tokens, yet the quadratic cost of softmax attention makes this untenable at deployment scale. We introduce MiniMax Sparse Attention (MSA), a blockwise sparse attention built upon Grouped Query Attention (GQA). A lightweight Index Branch scores key-value blocks and independently selects a Top-k subset for each GQA group, enabling group-specific sparse retrieval while maintaining efficient block-level execution; the Main Branch then performs exact block-sparse attention over only the selected blocks. Designed around a principle of simplicity and scalability, MSA is deliberately streamlined, making it straightforward to deploy efficiently across a broad range of GPUs. To translate sparsity into practical speedups, we co-design MSA with a GPU execution path that uses exp-free Top-k selection and KV-outer sparse attention to improve tensor-core utilization under block-granular access. On a 109B-parameter model with native multimodal training, MSA performs on par with GQA while reducing per-token attention compute by 28.4x at 1M context. Paired with our co-designed kernel, MSA achieves 14.2x prefill and 7.6x decoding wall-clock speedups on H800. Our inference kernel is available at: https://github.com/MiniMax-AI/MSA. A production-grade natively multimodal model powered by MSA has been publicly released at: https://huggingface.co/MiniMaxAI/MiniMax-M3.

20.
arXiv (CS.LG) 2026-06-11

GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction

arXiv:2606.11382v1 Announce Type: new Abstract: Deep learning models facilitate the discovery of molecules with tailored properties among billions of candidate compounds. However, the computational burden to develop and deploy state-of-the-art models continuously increases, limiting their scalability. Most large-scale models are unimodal in nature and overlook the potential to leverage complementary molecular data modalities. To address these shortcomings, this paper introduces the Graph-Language Alignment for Chemical Inference and Exploration using Representations (GLACIER) model, a student-teacher framework that integrates molecular graphs, SMILES strings, and physicochemical descriptors to learn rich molecular embeddings. Our framework consists of three stages: (1) we pretrain three student encoders on 100,000 drug-like molecules: a message-passing neural network for molecular graphs, a transformer-based encoder for SMILES strings, and a multilayer perceptron for physicochemical descriptors, (2) we fuse these student modalities using a novel Finsler geometry-aware module, and (3) distill complementary knowledge from large teacher models, including MiniMol and MolFormer, into a single lightweight model via contrastive learning. We demonstrate that GLACIER is a robust framework that delivers high predictive performance and computational efficiency in complex molecular property prediction tasks. Our code is publicly available at https://github.com/eemokey/glacier.

21.
arXiv (quant-ph) 2026-06-16

Neural quantum states for entanglement depth certification from randomized Pauli measurements

arXiv:2512.13121v2 Announce Type: replace Abstract: Entanglement depth quantifies how many qubits share genuine multipartite entanglement, but certification typically relies on tailored witnesses or full tomography, both of which scale poorly with system size. We recast entanglement-depth and non-$k$-separability certification as likelihood-based model selection among neural quantum states whose architecture enforces a chosen entanglement constraint. A hierarchy of separable neural quantum states is trained on finite-shot local Pauli outcomes and compared against an unconstrained reference model trained on the same data. When all constrained models are statistically disfavored, the data certify entanglement beyond the imposed limit directly from measurement statistics, without reconstructing the density matrix. We validate the method on simulated six- and ten-qubit datasets targeting GHZ, Dicke, and Bell-pair states, and demonstrate robustness for mixed states under local noise. Finally, we discuss lightweight interpretability diagnostics derived from trained parameters that expose coarse entanglement patterns and qubit groupings directly from bitstring statistics.

22.
arXiv (CS.CV) 2026-06-11

Weakly Supervised Segmentation as Semantic-Based Regularization

Weakly supervised semantic segmentation (WSSS) trains dense pixel-level segmentation models from partial or coarse annotations such as bounding boxes, scribbles, or image-level tags. While recent work leverages foundation models such as the Segment Anything Model (SAM) to generate pseudo-labels, these approaches typically depend on heuristic prompt choices and offer limited ways to incorporate prior knowledge or heterogeneous labels. We address this gap by taking a neurosymbolic perspective: integrating differentiable fuzzy logic with deep segmentation models. Weak annotations and domain-specific priors are unified as continuous logical constraints that fine-tune SAM under weak supervision. The refined foundation model then produces improved pseudo-labels, from which we train a second-stage prompt-free segmentation model. Experiments on Pascal VOC 2012 and the REFUGE2 optic disc/cup segmentation dataset show that our logic-guided fine-tuning yields higher-quality pseudo-labels, leading to state-of-the-art segmentation accuracy that often exceeds densely supervised baselines.

23.
arXiv (CS.AI) 2026-06-17

Comprehensive pKa Data Augmentation from Limited Real Data through an Engineered Models-Quantum Framework

arXiv:2606.17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling. Building on iBonD, the largest experimental pKa database established, we and other researchers have developed several methods including machine-learning-based empirical prediction and high-accuracy energy calculations. Despite this foundation, the rapid augmentation of high-quality pKa data remains fundamentally constrained. As part of this work, we performed large-scale regression-based pKa prediction on unlabeled molecular datasets using a collection of extensively optimized machine-learning models. The results indicate that, since the feature distributions of unlabeled molecular datasets, the pKa data distribution approximates normality, with extreme scarcity of tail-region samples. Although such augmentation is highly valuable for improving overall data availability and predictive modeling, it remains insufficient for efficiently discovering molecules with broad-spectrum pKa properties. To address this, we explore the targeted generation of molecules with sparse pKa properties from the vast chemical space. Given that traditional continuous latent space VAE-RNN methods for molecular generation suffer from insufficient stability and fail to demonstrate clear advantages in complementing sparse data, we design and implement a quantum-assisted sparse-pKa molecular generation. Feasibility is validated on a simulated quantum annealer, and superior extreme-value sampling is further achieved on physical coherent Ising machines (CIMs). (to be continued)

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

Greedy Coordinate Diffusion: Effective and Semantically Coherent Adversarial Attacks via Diffusion Guidance

arXiv:2606.15531v1 Announce Type: new Abstract: Fine-tuning aligned language models on benign tasks (e.g. math tutoring) systematically breaks safety guardrails, even when training data contains no harmful content. While mechanistic approaches have shed light on where alignment resides in model weights, they do not by provide a general formal framework for deriving guarantees about when fine-tuning degrades it – leaving the field without principled tools for predicting or preventing alignment collapse. We develop a local geometric framework through geometric analysis of parameter-space trajectories and apply it to understand the fragility of alignment in fine-tuning. While first-order analysis suggests orthogonal updates are safe, we prove this is illusory: the curvature of the fine-tuning loss induces second-order acceleration that can induce second-order drift into alignment-sensitive regions. We formalize a construct of our framework as the Alignment Instability Condition (AIC), three geometric properties that, when present, are sufficient to guarantee degradation. Our main result proves quartic onset of alignment degradation along gradient-flow trajectories, determined by how sharply alignment depends on specific parameters and how strongly tasks couple to these parameters. These findings yield formal sufficient conditions under which static first-order protection can fail under gradient descent. We further empirically validate the framework's foundations, showing that the Fisher Information Matrix provides a proxy for the degree of safety degradation across diverse fine-tuning.

25.
arXiv (CS.CL) 2026-06-24

AutoSpecNER: A Fine-Grained Named Entity Recognition Dataset for Vehicle Specification Extraction

Vehicle advertisements contain rich specification information, but automotive NER resources remain limited. We introduce AutoSpecNER, an expert-annotated dataset for fine-grained entity recognition in vehicle listings. The dataset includes 659 advertisements from a popular car-selling website, with over 10,000 entities annotated across 15 categories, including MODEL, ENGINE_SPEC, and BATTERY_CAPACITY. Annotation quality was validated through inter-annotator agreement, achieving an average score of 91.5%. We benchmark rule-based extraction, fine-tuned transformer encoders, and large language models. DeBERTa achieves the best performance with a 90% micro-F1 score, outperforming the rule-based baseline (43%) and the strongest large language model (77.8%).