OpenRaiser/Intern-Atlas huggingface dataset:
Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling
Venue: arXiv cs.LG 2026
Year: 2026

Crystal modeling spans a family of conditional and unconditional generation tasks across different modalities, including crystal structure prediction (CSP) and \emph{de novo} generation (DNG). While recent deep generative models have shown promising performance, they remain largely task-specific, lacking a unified framework that shares crystal representations across different generation tasks. To address this limitation, we propose \emph{Multimodal Crystal Flow (MCFlow)}, a unified multimodal flow model that realizes multiple crystal generation tasks as distinct inference trajectories via independent time variables for atom types and crystal structures. To enable multimodal flow in a standard transformer model, we introduce a composition- and symmetry-aware atom ordering with hierarchical permutation augmentation, injecting strong compositional and crystallographic priors without explicit structural templates. Experiments on the MP-20 and MPTS-52 benchmarks show that MCFlow achieves competitive performance against task-specific baselines across multiple crystal generation tasks.
Exploring Anti-Aging Literature via ConvexTopics and Large Language Models
Venue: arXiv cs.LG 2026
Year: 2026

The rapid expansion of biomedical publications creates challenges for organizing knowledge and detecting emerging trends, underscoring the need for scalable and interpretable methods. Common clustering and topic modeling approaches such as K-means or LDA remain sensitive to initialization and prone to local optima, limiting reproducibility and evaluation. We propose a reformulation of a convex optimization based clustering algorithm that produces stable, fine-grained topics by selecting exemplars from the data and guaranteeing a global optimum. Applied to about 12,000 PubMed articles on aging and longevity, our method uncovers topics validated by medical experts. It yields interpretable topics spanning from molecular mechanisms to dietary supplements, physical activity, and gut microbiota. The method performs favorably, and most importantly, its reproducibility and interpretability distinguish it from common clustering approaches, including K-means, LDA, and BERTopic. This work provides a basis for developing scalable, web-accessible tools for knowledge discovery.
N4MC: Neural 4D Mesh Compression
Venue: arXiv cs.CV 2026
Year: 2026

We present N4MC, the first 4D neural compression framework to efficiently compress time-varying mesh sequences by exploiting their temporal redundancy. Unlike prior neural mesh compression methods that treat each mesh frame independently, N4MC takes inspiration from inter-frame compression in 2D video codecs, and learns motion compensation in long mesh sequences. Specifically, N4MC converts consecutive irregular mesh frames into regular 4D tensors to provide a uniform and compact representation. These tensors are then condensed using an auto-decoder, which captures both spatial and temporal correlations for redundancy removal. To enhance temporal coherence, we introduce a transformer-based interpolation model that predicts intermediate mesh frames conditioned on latent embeddings derived from tracked volume centers, eliminating motion ambiguities. Extensive evaluations show that N4MC outperforms state-of-the-art in rate-distortion performance, while enabling real-time decoding of 4D mesh sequences. The implementation of our method is available at: https://github.com/frozzzen3/N4MC.
GSNR: Graph Smooth Null-Space Representation for Inverse Problems
Venue: arXiv cs.CV 2026
Year: 2026

Inverse problems in imaging are ill-posed, leading to infinitely many solutions consistent with the measurements due to the non-trivial null-space of the sensing matrix. Common image priors promote solutions on the general image manifold, such as sparsity, smoothness, or score function. However, as these priors do not constrain the null-space component, they can bias the reconstruction. Thus, we aim to incorporate meaningful null-space information in the reconstruction framework. Inspired by smooth image representation on graphs, we propose Graph-Smooth Null-Space Representation (GSNR), a mechanism that imposes structure only into the invisible component. Particularly, given a graph Laplacian, we construct a null-restricted Laplacian that encodes similarity between neighboring pixels in the null-space signal, and we design a low-dimensional projection matrix from the $p$-smoothest spectral graph modes (lowest graph frequencies). This approach has strong theoretical and practical implications: i) improved convergence via a null-only graph regularizer, ii) better coverage, how much null-space variance is captured by $p$ modes, and iii) high predictability, how well these modes can be inferred from the measurements. GSNR is incorporated into well-known inverse problem solvers, e.g., PnP, DIP, and diffusion solvers, in four scenarios: image deblurring, compressed sensing, demosaicing, and image super-resolution, providing consistent improvement of up to 4.3 dB over baseline formulations and up to 1 dB compared with end-to-end learned models in terms of PSNR.
Large-scale Photorealistic Outdoor 3D Scene Reconstruction from UAV Imagery Using Gaussian Splatting Techniques
Venue: arXiv cs.CV 2026
Year: 2026

In this study, we present an end-to-end pipeline capable of converting drone-captured video streams into high-fidelity 3D reconstructions with minimal latency. Unmanned aerial vehicles (UAVs) are extensively used in aerial real-time perception applications. Moreover, recent advances in 3D Gaussian Splatting (3DGS) have demonstrated significant potential for real-time neural rendering. However, their integration into end-to-end UAV-based reconstruction and visualization systems remains underexplored. Our goal is to propose an efficient architecture that combines live video acquisition via RTMP streaming, synchronized sensor fusion, camera pose estimation, and 3DGS optimization, achieving continuous model updates and low-latency deployment within interactive visualization environments that supports immersive augmented and virtual reality (AR/VR) applications. Experimental results demonstrate that the proposed method achieves competitive visual fidelity, while delivering significantly higher rendering performance and substantially reduced end-to-end latency, compared to NeRF-based approaches. Reconstruction quality remains within 4-7\% of high-fidelity offline references, confirming the suitability of the proposed system for real-time, scalable augmented perception from aerial platforms.
Hierarchical Molecular Representation Learning via Fragment-Based Self-Supervised Embedding Prediction
Venue: arXiv cs.LG 2026
Year: 2026

Graph self-supervised learning (GSSL) has demonstrated strong potential for generating expressive graph embeddings without the need for human annotations, making it particularly valuable in domains with high labeling costs such as molecular graph analysis. However, existing GSSL methods mostly focus on node- or edge-level information, often ignoring chemically relevant substructures which strongly influence molecular properties. In this work, we propose Graph Semantic Predictive Network (GraSPNet), a hierarchical self-supervised framework that explicitly models both atomic-level and fragment-level semantics. GraSPNet decomposes molecular graphs into chemically meaningful fragments without predefined vocabularies and learns node- and fragment-level representations through multi-level message passing with masked semantic prediction at both levels. This hierarchical semantic supervision enables GraSPNet to learn multi-resolution structural information that is both expressive and transferable. Extensive experiments on multiple molecular property prediction benchmarks demonstrate that GraSPNet learns chemically meaningful representations and consistently outperforms state-of-the-art GSSL methods in transfer learning settings.
Aesthetic Camera Viewpoint Suggestion with 3D Aesthetic Field
Venue: arXiv cs.CV 2026
Year: 2026

The aesthetic quality of a scene depends strongly on camera viewpoint. Existing approaches for aesthetic viewpoint suggestion are either single-view adjustments, predicting limited camera adjustments from a single image without understanding scene geometry, or 3D exploration approaches, which rely on dense captures or prebuilt 3D environments coupled with costly reinforcement learning (RL) searches. In this work, we introduce the notion of 3D aesthetic field that enables geometry-grounded aesthetic reasoning in 3D with sparse captures, allowing efficient viewpoint suggestions in contrast to costly RL searches. We opt to learn this 3D aesthetic field using a feedforward 3D Gaussian Splatting network that distills high-level aesthetic knowledge from a pretrained 2D aesthetic model into 3D space, enabling aesthetic prediction for novel viewpoints from only sparse input views. Building on this field, we propose a two-stage search pipeline that combines coarse viewpoint sampling with gradient-based refinement, efficiently identifying aesthetically appealing viewpoints without dense captures or RL exploration. Extensive experiments show that our method consistently suggests viewpoints with superior framing and composition compared to existing approaches, establishing a new direction toward 3D-aware aesthetic modeling.
On the Height Profile of Analog Error-Correcting Codes
Venue: arXiv cs.IT 2026
Year: 2026

In recent work, it has been shown that maintaining reliability in analog vector--matrix multipliers can be modeled as the following coding problem. Vectors in $\mathbb{R}^k$ are encoded into codewords of a linear $[n,k,d]$ code $C$ over $\mathbb{R}$. For prescribed positive reals $δ< Δ$, additive errors of magnitude at most $δ$ are tolerable and need no handling, yet outlying errors of magnitude greater than $Δ$ are to be located or detected. The trade-off between the ratio $Δ/δ$ and the number of outlying errors that can be handled is determined by the height profile of $C$; as such, the height profile provides a finer description of the error handling capability of $C$, compared to the minimum distance $d$, which only determines the number of correctable errors. This work contains a further study of the notion of the height profile. Several characterizations of the height profile are presented, thereby yielding methods for computing it. The starting point is formulating this computation as an optimization problem that is solved by a set of linear programs. This, in turn, leads to a combinatorial characterization of the height profile as a maximum (or max--min) over a certain finite set of codewords of $C$. Moreover, this characterization is shown to have a simple geometric interpretation when the columns of the generator matrix of $C$ all have the same $L_2$ norm. Through examples of several code families, it is demonstrated how the results herein can be used to compute the height profile explicitly.
Exploiting Low-Rank Structure in Max-K-Cut Problems
Venue: arXiv cs.DS 2026
Year: 2026

We approach the Max-3-Cut problem through the lens of maximizing complex-valued quadratic forms and demonstrate that low-rank structure in the objective matrix can be exploited, leading to alternative algorithms to classical semidefinite programming (SDP) relaxations and heuristic techniques. We propose an algorithm for maximizing these quadratic forms over a domain of size $K$ that enumerates and evaluates a set of $O\left(n^{2r-1}\right)$ candidate solutions, where $n$ is the dimension of the matrix and $r$ represents the rank of an approximation of the objective. We prove that this candidate set is guaranteed to include the exact maximizer when $K=3$ (corresponding to Max-3-Cut) and the objective is low-rank, and provide approximation guarantees when the objective is a perturbation of a low-rank matrix. This construction results in a family of novel, inherently parallelizable and theoretically-motivated algorithms for Max-3-Cut. Extensive experimental results demonstrate that our approach achieves performance comparable to existing algorithms across a wide range of graphs, while being highly scalable.
Directly from Alpha to Omega: Controllable End-to-End Vector Floor Plan Generation
Venue: arXiv cs.GR 2026
Year: 2026

Automated floor plan generation aims to create residential layouts by arranging rooms within a given boundary, balancing topological, geometric, and aesthetic considerations. The existing methods typically use a multi-step pipeline with intermediate representations to decompose the prediction process into several sub-tasks, limiting model flexibility and imposing predefined solution paths. This often results in unreasonable outputs when applied to data unsuitable for these predefined paths, making it challenging for these methods to match human designers, who do not restrict themselves to a specific set of design workflows. To address these limitations, we introduce CE2EPlan, a controllable end-to-end topology- and geometry-enhanced diffusion model that removes restrictions on the generative process of AI design tools. Instead, it enables the model to learn how to design floor plans directly from data, capturing a wide range of solution paths from input boundaries to complete layouts. Extensive experiments demonstrate that our method surpasses all existing approaches using the multi-step pipeline, delivering higher-quality results with enhanced user control and greater diversity in output, bringing AI design tools closer to the versatility of human designers.
cc-Shapley: Measuring Multivariate Feature Importance Needs Causal Context
Venue: arXiv cs.LG 2026
Year: 2026

Explainable artificial intelligence promises to yield insights into relevant features, thereby enabling humans to examine and scrutinize machine learning models or even facilitating scientific discovery. Considering the widespread technique of Shapley values, we find that purely data-driven operationalization of multivariate feature importance is unsuitable for such purposes. Even for simple problems with two features, spurious associations due to collider bias and suppression arise from considering one feature only in the observational context of the other, which can lead to misinterpretations. Causal knowledge about the data-generating process is required to identify and correct such misleading feature attributions. We propose cc-Shapley (causal context Shapley), an interventional modification of conventional observational Shapley values leveraging knowledge of the data's causal structure, thereby analyzing the relevance of a feature in the causal context of the remaining features. We show theoretically that this eradicates spurious association induced by collider bias. We compare the behavior of Shapley and cc-Shapley values on various, synthetic, and real-world datasets. We observe nullification or reversal of associations compared to univariate feature importance when moving from observational to cc-Shapley.
Examining and Addressing Barriers to Diversity in LLM-Generated Ideas
Venue: arXiv cs.CY 2026
Year: 2026

Ideas generated by independent samples of humans tend to be more diverse than ideas generated from independent LLM samples, raising concerns that widespread reliance on LLMs could homogenize ideation and undermine innovation at a societal level. Drawing on cognitive psychology, we identify (both theoretically and empirically) two mechanisms undermining LLM idea diversity. First, at the individual level, LLMs exhibit fixation just as humans do, where early outputs constrain subsequent ideation. Second, at the collective level, LLMs aggregate knowledge into a unified distribution rather than exhibiting the knowledge partitioning inherent to human populations, where each person occupies a distinct region of the knowledge space. Through four studies, we demonstrate that targeted prompting interventions can address each mechanism independently: Chain-of-Thought (CoT) prompting reduces fixation by encouraging structured reasoning (only in LLMs, not humans), while ordinary personas (versus "creative entrepreneurs" such as Steve Jobs) improve knowledge partitioning by serving as diverse sampling cues, anchoring generation in distinct regions of the semantic space. Combining both approaches produces the highest idea diversity, outperforming humans. These findings offer a theoretically grounded framework for understanding LLM idea diversity and practical strategies for human-AI collaborations that leverage AI's efficiency without compromising the diversity essential to a healthy innovation ecosystem.
CLIPoint3D: Language-Grounded Few-Shot Unsupervised 3D Point Cloud Domain Adaptation
Venue: arXiv cs.CV 2026
Year: 2026

Recent vision-language models (VLMs) such as CLIP demonstrate impressive cross-modal reasoning, extending beyond images to 3D perception. Yet, these models remain fragile under domain shifts, especially when adapting from synthetic to real-world point clouds. Conventional 3D domain adaptation approaches rely on heavy trainable encoders, yielding strong accuracy but at the cost of efficiency. We introduce CLIPoint3D, the first framework for few-shot unsupervised 3D point cloud domain adaptation built upon CLIP. Our approach projects 3D samples into multiple depth maps and exploits the frozen CLIP backbone, refined through a knowledge-driven prompt tuning scheme that integrates high-level language priors with geometric cues from a lightweight 3D encoder. To adapt task-specific features effectively, we apply parameter-efficient fine-tuning to CLIP's encoders and design an entropy-guided view sampling strategy for selecting confident projections. Furthermore, an optimal transport-based alignment loss and an uncertainty-aware prototype alignment loss collaboratively bridge source-target distribution gaps while maintaining class separability. Extensive experiments on PointDA-10 and GraspNetPC-10 benchmarks show that CLIPoint3D achieves consistent 3-16% accuracy gains over both CLIP-based and conventional encoder-based baselines. Codes are available at https://github.com/SarthakM320/CLIPoint3D.
SimLBR: Learning to Detect Fake Images by Learning to Detect Real Images
Venue: arXiv cs.CV 2026
Year: 2026

The rapid advancement of generative models has made the detection of AI-generated images a critical challenge for both research and society. Recent works have shown that most state-of-the-art fake image detection methods overfit to their training data and catastrophically fail when evaluated on curated hard test sets with strong distribution shifts. In this work, we argue that it is more principled to learn a tight decision boundary around the real image distribution and treat the fake category as a sink class. To this end, we propose SimLBR, a simple and efficient framework for fake image detection using Latent Blending Regularization (LBR). Our method significantly improves cross-generator generalization, achieving up to +24.85\% accuracy and +69.62\% recall on the challenging Chameleon benchmark. SimLBR is also highly efficient, training orders of magnitude faster than existing approaches. Furthermore, we emphasize the need for reliability-oriented evaluation in fake image detection, introducing risk-adjusted metrics and worst-case estimates to better assess model robustness. All code and models will be released on HuggingFace and GitHub.
Learning to Rewrite Tool Descriptions for Reliable LLM-Agent Tool Use
Venue: arXiv cs.AI 2026
Year: 2026

The performance of LLM-based agents depends not only on the agent itself but also on the quality of the tool interfaces it consumes. While prior work has focused heavily on agent fine-tuning, tool interfaces-including natural language descriptions and parameter schemas-remain largely human-oriented and often become a bottleneck, especially when agents must select from large candidate tool sets. Existing approaches to improving tool interfaces rely on execution traces, which are frequently unavailable in cold-start or privacy-constrained settings, and typically optimize each tool independently, limiting scalability and generalization to unseen tools. We propose Trace-Free+, a curriculum learning framework that progressively transfers supervision from trace-rich settings to trace-free deployment, encouraging the model to abstract reusable interface-usage patterns and tool usage outcomes. To support this approach, we construct a large-scale dataset of high-quality tool interfaces using a structured workflow over a diverse collection of tools. Experiments on StableToolBench and RestBench show consistent gains on unseen tools, strong cross-domain generalization, and robustness as the number of candidate tools scales to over 100, demonstrating that tool interface optimization is a practical and deployable complement to agent fine-tuning.
Disentangling Geometry, Performance, and Training in Language Models
Venue: arXiv cs.CL 2026
Year: 2026

Geometric properties of Transformer weights, particularly the unembedding matrix, have been widely useful in language model interpretability research. Yet, their utility for estimating downstream performance remains unclear. In this work, we systematically investigate the relationship between model performance and the unembedding matrix geometry, particularly its effective rank. Our experiments, involving a suite of 108 OLMo-style language models trained under controlled variation, reveal several key findings. While the best-performing models often exhibit a high effective rank, this trend is not universal across tasks and training setups. Contrary to prior work, we find that low effective rank does not cause late-stage performance degradation in small models, but instead co-occurs with it; we find adversarial cases where low-rank models do not exhibit saturation. Moreover, we show that effective rank is strongly influenced by pre-training hyperparameters, such as batch size and weight decay, which in-turn affect the model's performance. Lastly, extending our analysis to other geometric metrics and final-layer representation, we find that these metrics are largely aligned, but none can reliably predict downstream performance. Overall, our findings suggest that the model's geometry, as captured by existing metrics, primarily reflects training choices rather than performance.
Imputation of Unknown Missingness in Sparse Electronic Health Records
Venue: arXiv cs.LG 2026
Year: 2026

Machine learning holds great promise for advancing the field of medicine, with electronic health records (EHRs) serving as a primary data source. However, EHRs are often sparse and contain missing data due to various challenges and limitations in data collection and sharing between healthcare providers. Existing techniques for imputing missing values predominantly focus on known unknowns, such as missing or unavailable values of lab test results; most do not explicitly address situations where it is difficult to distinguish what is missing. For instance, a missing diagnosis code in an EHR could signify either that the patient has not been diagnosed with the condition or that a diagnosis was made, but not shared by a provider. Such situations fall into the paradigm of unknown unknowns. To address this challenge, we develop a general purpose algorithm for denoising data to recover unknown missing values in binary EHRs. We design a transformer-based denoising neural network where the output is thresholded adaptively to recover values in cases where we predict data are missing. Our results demonstrate improved accuracy in denoising medical codes within a real EHR dataset compared to existing imputation approaches and leads to increased performance on downstream tasks using the denoised data. In particular, when applying our method to a real world application, predicting hospital readmission from EHRs, our method achieves statistically significant improvement over all existing baselines.