Abstract:We investigate two important tasks in odor-related property modeling: Vapor Pressure (VP) and Odor Threshold (OP). To evaluate the model's out-of-distribution (OOD) capability, we adopt the Bemis-Murcko scaffold split. In terms of features, we introduce the rich A20/E17 molecular graph features (20-dimensional atom features + 17-dimensional bond features) and systematically compare GINE and PNA backbones. The results show: for VP, PNA with a simple regression head achieves Val MSE $\approx$ 0.21 (normalized space); for the OP single task under the same scaffold split, using A20/E17 with robust training (Huber/winsor) achieves Val MSE $\approx$ 0.60-0.61. For multitask training, we propose a **"safe multitask"** approach: VP as the primary task and OP as the auxiliary task, using delayed activation + gradient clipping + small weight, which avoids harming the primary task and simultaneously yields the best VP generalization performance. This paper provides complete reproducible experiments, ablation studies, and error-similarity analysis while discussing the impact of data noise and method limitations.
Abstract:We study multi-user contextual bandits where users are related by a graph and their reward functions exhibit both non-linear behavior and graph homophily. We introduce a principled joint penalty for the collection of user reward functions $\{f_u\}$, combining a graph smoothness term based on RKHS distances with an individual roughness penalty. Our central contribution is proving that this penalty is equivalent to the squared norm within a single, unified \emph{multi-user RKHS}. We explicitly derive its reproducing kernel, which elegantly fuses the graph Laplacian with the base arm kernel. This unification allows us to reframe the problem as learning a single ''lifted'' function, enabling the design of principled algorithms, \texttt{LK-GP-UCB} and \texttt{LK-GP-TS}, that leverage Gaussian Process posteriors over this new kernel for exploration. We provide high-probability regret bounds that scale with an \emph{effective dimension} of the multi-user kernel, replacing dependencies on user count or ambient dimension. Empirically, our methods outperform strong linear and non-graph-aware baselines in non-linear settings and remain competitive even when the true rewards are linear. Our work delivers a unified, theoretically grounded, and practical framework that bridges Laplacian regularization with kernelized bandits for structured exploration.
Abstract:While autoregressive Large Vision-Language Models (VLMs) have achieved remarkable success, their sequential generation often limits their efficacy in complex visual planning and dynamic robotic control. In this work, we investigate the potential of constructing Vision-Language Models upon diffusion-based large language models (dLLMs) to overcome these limitations. We introduce Dream-VL, an open diffusion-based VLM (dVLM) that achieves state-of-the-art performance among previous dVLMs. Dream-VL is comparable to top-tier AR-based VLMs trained on open data on various benchmarks but exhibits superior potential when applied to visual planning tasks. Building upon Dream-VL, we introduce Dream-VLA, a dLLM-based Vision-Language-Action model (dVLA) developed through continuous pre-training on open robotic datasets. We demonstrate that the natively bidirectional nature of this diffusion backbone serves as a superior foundation for VLA tasks, inherently suited for action chunking and parallel generation, leading to significantly faster convergence in downstream fine-tuning. Dream-VLA achieves top-tier performance of 97.2% average success rate on LIBERO, 71.4% overall average on SimplerEnv-Bridge, and 60.5% overall average on SimplerEnv-Fractal, surpassing leading models such as $π_0$ and GR00T-N1. We also validate that dVLMs surpass AR baselines on downstream tasks across different training objectives. We release both Dream-VL and Dream-VLA to facilitate further research in the community.
Abstract:Teleoperation presents a promising paradigm for remote control and robot proprioceptive data collection. Despite recent progress, current teleoperation systems still suffer from limitations in efficiency and ergonomics, particularly in challenging scenarios. In this paper, we propose CaFe-TeleVision, a coarse-to-fine teleoperation system with immersive situated visualization for enhanced ergonomics. At its core, a coarse-to-fine control mechanism is proposed in the retargeting module to bridge workspace disparities, jointly optimizing efficiency and physical ergonomics. To stream immersive feedback with adequate visual cues for human vision systems, an on-demand situated visualization technique is integrated in the perception module, which reduces the cognitive load for multi-view processing. The system is built on a humanoid collaborative robot and validated with six challenging bimanual manipulation tasks. User study among 24 participants confirms that CaFe-TeleVision enhances ergonomics with statistical significance, indicating a lower task load and a higher user acceptance during teleoperation. Quantitative results also validate the superior performance of our system across six tasks, surpassing comparative methods by up to 28.89% in success rate and accelerating by 26.81% in completion time. Project webpage: https://clover-cuhk.github.io/cafe_television/




Abstract:We introduce Virtual Width Networks (VWN), a framework that delivers the benefits of wider representations without incurring the quadratic cost of increasing the hidden size. VWN decouples representational width from backbone width, expanding the embedding space while keeping backbone compute nearly constant. In our large-scale experiment, an 8-times expansion accelerates optimization by over 2 times for next-token and 3 times for next-2-token prediction. The advantage amplifies over training as both the loss gap grows and the convergence-speedup ratio increases, showing that VWN is not only token-efficient but also increasingly effective with scale. Moreover, we identify an approximately log-linear scaling relation between virtual width and loss reduction, offering an initial empirical basis and motivation for exploring virtual-width scaling as a new dimension of large-model efficiency.
Abstract:Generating high-resolution 3D shapes using volumetric representations such as Signed Distance Functions (SDFs) presents substantial computational and memory challenges. We introduce Direct3D-S2, a scalable 3D generation framework based on sparse volumes that achieves superior output quality with dramatically reduced training costs. Our key innovation is the Spatial Sparse Attention (SSA) mechanism, which greatly enhances the efficiency of Diffusion Transformer (DiT) computations on sparse volumetric data. SSA allows the model to effectively process large token sets within sparse volumes, substantially reducing computational overhead and achieving a 3.9x speedup in the forward pass and a 9.6x speedup in the backward pass. Our framework also includes a variational autoencoder (VAE) that maintains a consistent sparse volumetric format across input, latent, and output stages. Compared to previous methods with heterogeneous representations in 3D VAE, this unified design significantly improves training efficiency and stability. Our model is trained on public available datasets, and experiments demonstrate that Direct3D-S2 not only surpasses state-of-the-art methods in generation quality and efficiency, but also enables training at 1024 resolution using only 8 GPUs, a task typically requiring at least 32 GPUs for volumetric representations at 256 resolution, thus making gigascale 3D generation both practical and accessible. Project page: https://www.neural4d.com/research/direct3d-s2.
Abstract:Peptide compounds demonstrate considerable potential as therapeutic agents due to their high target affinity and low toxicity, yet their drug development is constrained by their low membrane permeability. Molecular weight and peptide length have significant effects on the logD of peptides, which in turn influences their ability to cross biological membranes. However, accurate prediction of peptide logD remains challenging due to the complex interplay between sequence, structure, and ionization states. This study introduces LengthLogD, a predictive framework that establishes specialized models through molecular length stratification while innovatively integrating multi-scale molecular representations. We constructed feature spaces across three hierarchical levels: atomic (10 molecular descriptors), structural (1024-bit Morgan fingerprints), and topological (3 graph-based features including Wiener index), optimized through stratified ensemble learning. An adaptive weight allocation mechanism specifically developed for long peptides significantly enhances model generalizability. Experimental results demonstrate superior performance across all categories: short peptides (R^2=0.855), medium peptides (R^2=0.816), and long peptides (R^2=0.882), with a 34.7% reduction in prediction error for long peptides compared to conventional single-model approaches. Ablation studies confirm: 1) The length-stratified strategy contributes 41.2% to performance improvement; 2) Topological features account for 28.5% of predictive importance. Compared to state-of-the-art models, our method maintains short peptide prediction accuracy while achieving a 25.7% increase in the coefficient of determination (R^2) for long peptides. This research provides a precise logD prediction tool for peptide drug development, particularly demonstrating unique value in optimizing long peptide lead compounds.
Abstract:Existing detectors are often trained on biased datasets, leading to the possibility of overfitting on non-causal image attributes that are spuriously correlated with real/synthetic labels. While these biased features enhance performance on the training data, they result in substantial performance degradation when applied to unbiased datasets. One common solution is to perform dataset alignment through generative reconstruction, matching the semantic content between real and synthetic images. However, we revisit this approach and show that pixel-level alignment alone is insufficient. The reconstructed images still suffer from frequency-level misalignment, which can perpetuate spurious correlations. To illustrate, we observe that reconstruction models tend to restore the high-frequency details lost in real images (possibly due to JPEG compression), inadvertently creating a frequency-level misalignment, where synthetic images appear to have richer high-frequency content than real ones. This misalignment leads to models associating high-frequency features with synthetic labels, further reinforcing biased cues. To resolve this, we propose Dual Data Alignment (DDA), which aligns both the pixel and frequency domains. Moreover, we introduce two new test sets: DDA-COCO, containing DDA-aligned synthetic images for testing detector performance on the most aligned dataset, and EvalGEN, featuring the latest generative models for assessing detectors under new generative architectures such as visual auto-regressive generators. Finally, our extensive evaluations demonstrate that a detector trained exclusively on DDA-aligned MSCOCO could improve across 8 diverse benchmarks by a non-trivial margin, showing a +7.2% on in-the-wild benchmarks, highlighting the improved generalizability of unbiased detectors.
Abstract:This paper presents the technical solution proposed by Huawei Translation Service Center (HW-TSC) for the "End-to-End Document Image Machine Translation for Complex Layouts" competition at the 19th International Conference on Document Analysis and Recognition (DIMT25@ICDAR2025). Leveraging state-of-the-art open-source large vision-language model (LVLM), we introduce a training framework that combines multi-task learning with perceptual chain-of-thought to develop a comprehensive end-to-end document translation system. During the inference phase, we apply minimum Bayesian decoding and post-processing strategies to further enhance the system's translation capabilities. Our solution uniquely addresses both OCR-based and OCR-free document image translation tasks within a unified framework. This paper systematically details the training methods, inference strategies, LVLM base models, training data, experimental setups, and results, demonstrating an effective approach to document image machine translation.
Abstract:The rapid advancement of large vision-language models (LVLMs) has significantly propelled applications in document understanding, particularly in optical character recognition (OCR) and multilingual translation. However, current evaluations of LVLMs, like the widely used OCRBench, mainly focus on verifying the correctness of their short-text responses and long-text responses with simple layout, while the evaluation of their ability to understand long texts with complex layout design is highly significant but largely overlooked. In this paper, we propose Menu OCR and Translation Benchmark (MOTBench), a specialized evaluation framework emphasizing the pivotal role of menu translation in cross-cultural communication. MOTBench requires LVLMs to accurately recognize and translate each dish, along with its price and unit items on a menu, providing a comprehensive assessment of their visual understanding and language processing capabilities. Our benchmark is comprised of a collection of Chinese and English menus, characterized by intricate layouts, a variety of fonts, and culturally specific elements across different languages, along with precise human annotations. Experiments show that our automatic evaluation results are highly consistent with professional human evaluation. We evaluate a range of publicly available state-of-the-art LVLMs, and through analyzing their output to identify the strengths and weaknesses in their performance, offering valuable insights to guide future advancements in LVLM development. MOTBench is available at https://github.com/gitwzl/MOTBench.