Abstract:Large language models (LLMs) require reliable evaluation from pre-training to test-time scaling, making evaluation a recurring rather than one-off cost. As model scales grow and target tasks increasingly demand expert annotators, both the compute and labeling costs needed for each evaluation rise rapidly. Active testing aims to alleviate this bottleneck by approximating the evaluation result from a small but informative subset of the evaluation pool. However, existing approaches primarily target classification and break down on generative tasks. We introduce a novel active testing algorithm tailored to generative tasks. Our method leverages semantic entropy from surrogate models to stratify the evaluation pool and then conducts approximate Neyman allocation based on signals extracted from these surrogates. Across multiple language and multimodal benchmarks and a range of surrogate-target model pairs, our method significantly improves on baselines and closely tracks Oracle-Neyman, delivering up to 28\% MSE reduction over Uniform Sampling and an average of 22.9\% budget savings.
Abstract:We present A-CODE, a fully atomic unified one-stage protein co-design model that simultaneously refines discrete atom types and continuous atom coordinates. Unlike predominant two-stage methods that cascade structure design with amino acid-level sequence design, our approach is fully atomic within a unified multimodal diffusion framework, in which residue identities are inferred solely from atom-level predictions. Built upon the powerful all-atom architecture, A-CODE achieves superior designability for unconditional protein generation, outperforming all existing one-stage and two-stage design models. For binder design, A-CODE rivals and even outperforms existing state-of-the-art two-stage design models and, compared with the existing one-stage co-design model, achieves a drastic tenfold improvement in success rate on hard tasks. The inherent flexibility of our atomic formulation enables, for the first time, seamless adaptation to non-canonical amino acid (ncAA) modeling. Our fully atomic framework establishes a new, versatile foundation for all-atom generative modeling that can be naturally extended to complex biomolecular systems.
Abstract:Recent advances in de novo protein binder design have enabled increasing experimental validation, yet reported in silico metrics remain difficult to interpret or compare across studies due to non-standardized evaluation protocols. We introduce ProtDBench, a standardized and throughput-aware evaluation framework for protein binder design. ProtDBench defines unified benchmark tasks, evaluation protocols, and success criteria, enabling systematic analysis of how evaluation design influences observed performance. Using a large wet-lab annotated dataset, we analyze commonly used structure prediction models as evaluation verifiers, revealing substantial verifier-dependent bias and limited agreement under identical filtering protocols. We then benchmark representative open-source generative binder design methods across ten diverse protein targets under a fixed evaluation protocol. Beyond per-sequence success rates, ProtDBench incorporates throughput-aware metrics based on a fixed 24-hour budget, as well as cluster-level success criteria to account for structural diversity. Together, these results expose systematic differences induced by filtering rules, success definitions, and throughput-aware evaluation between computational efficiency, success rate, and structural diversity. Overall, ProtDBench provides a fair and reproducible evaluation pipeline that supports systematic and controlled comparison of protein binder design methods under realistic evaluation settings.
Abstract:We present XANE(3), a physics-based E(3)-equivariant graph neural network for predicting X-ray absorption near-edge structure (XANES) spectra directly from atomic structures. The model combines tensor-product message passing with spherical harmonic edge features, absorber-query attention pooling, custom equivariant layer normalization, adaptive gated residual connections, and a spectral readout based on a multi-scale Gaussian basis with an optional sigmoidal background term. To improve line-shape fidelity, training is performed with a composite objective that includes pointwise spectral reconstruction together with first- and second-derivative matching terms. We evaluate the model on a dataset of 5,941 FDMNES simulations of iron oxide surface facets and obtain a spectrum mean squared error of $1.0 \times 10^{-3}$ on the test set. The model accurately reproduces the main edge structure, relative peak intensities, pre-edge features, and post-edge oscillations. Ablation studies show that the derivative-aware objective, custom equivariant normalization, absorber-conditioned attention pooling, adaptive gated residual mixing, and global background term each improve performance. Interestingly, a capacity-matched scalar-only variant achieves comparable pointwise reconstruction error but reduced derivative-level fidelity, indicating that explicit tensorial channels are not strictly required for low intensity error on this dataset, although they remain beneficial for capturing finer spectral structure. These results establish XANE(3) as an accurate and efficient surrogate for XANES simulation and offer a promising route toward accelerated spectral prediction, ML-assisted spectroscopy, and data-driven materials discovery.
Abstract:Tables are pervasive in diverse documents, making table recognition (TR) a fundamental task in document analysis. Existing modular TR pipelines separately model table structure and content, leading to suboptimal integration and complex workflows. End-to-end approaches rely heavily on large-scale TR data and struggle in data-constrained scenarios. To address these issues, we propose TDATR (Table Detail-Aware Table Recognition) improves end-to-end TR through table detail-aware learning and cell-level visual alignment. TDATR adopts a ``perceive-then-fuse'' strategy. The model first performs table detail-aware learning to jointly perceive table structure and content through multiple structure understanding and content recognition tasks designed under a language modeling paradigm. These tasks can naturally leverage document data from diverse scenarios to enhance model robustness. The model then integrates implicit table details to generate structured HTML outputs, enabling more efficient TR modeling when trained with limited data. Furthermore, we design a structure-guided cell localization module integrated into the end-to-end TR framework, which efficiently locates cell and strengthens vision-language alignment. It enhances the interpretability and accuracy of TR. We achieve state-of-the-art or highly competitive performance on seven benchmarks without dataset-specific fine-tuning.
Abstract:Generative models hold great promise for accelerating material discovery but are often limited by their inflexible single-stage generative process in designing valid and diverse materials. To address this, we propose a two-stage generative framework, Lang2Str, that combines the strengths of large language models (LLMs) and flow-based models for flexible and precise material generation. Our method frames the generative process as a conditional generative task, where an LLM provides high-level conditions by generating descriptions of material unit cells' geometric layouts and properties. These descriptions, informed by the LLM's extensive background knowledge, ensure reasonable structure designs. A conditioned flow model then decodes these textual conditions into precise continuous coordinates and unit cell parameters. This staged approach combines the structured reasoning of LLMs and the distribution modeling capabilities of flow models. Experimental results show that our method achieves competitive performance on \textit{ab initio} material generation and crystal structure prediction tasks, with generated structures exhibiting closer alignment to ground truth in both geometry and energy levels, surpassing state-of-the-art models. The flexibility and modularity of our framework further enable fine-grained control over the generation process, potentially leading to more efficient and customizable material design.
Abstract:Spiking Neural Networks (SNNs) promise energy-efficient vision, but applying them to RGB visual tracking remains difficult: Existing SNN tracking frameworks either do not fully align with spike-driven computation or do not fully leverage neurons' spatiotemporal dynamics, leading to a trade-off between efficiency and accuracy. To address this, we introduce SpikeTrack, a spike-driven framework for energy-efficient RGB object tracking. SpikeTrack employs a novel asymmetric design that uses asymmetric timestep expansion and unidirectional information flow, harnessing spatiotemporal dynamics while cutting computation. To ensure effective unidirectional information transfer between branches, we design a memory-retrieval module inspired by neural inference mechanisms. This module recurrently queries a compact memory initialized by the template to retrieve target cues and sharpen target perception over time. Extensive experiments demonstrate that SpikeTrack achieves the state-of-the-art among SNN-based trackers and remains competitive with advanced ANN trackers. Notably, it surpasses TransT on LaSOT dataset while consuming only 1/26 of its energy. To our knowledge, SpikeTrack is the first spike-driven framework to make RGB tracking both accurate and energy efficient. The code and models are available at https://github.com/faicaiwawa/SpikeTrack.
Abstract:Recent advances in diffusion-based video generation have substantially improved visual fidelity and temporal coherence. However, most existing approaches remain task-specific and rely primarily on textual instructions, limiting their ability to handle multimodal inputs, contextual references, and diverse video generation and editing scenarios within a unified framework. Moreover, many video editing methods depend on carefully engineered pipelines tailored to individual operations, which hinders scalability and composability. In this paper, we propose Tele-Omni, a unified multimodal framework for video generation and editing that follows multimodal instructions, including text, images, and reference videos, within a single model. Tele-Omni leverages pretrained multimodal large language models to parse heterogeneous instructions and infer structured generation or editing intents, while diffusion-based generators perform high-quality video synthesis conditioned on these structured signals. To enable joint training across heterogeneous video tasks, we introduce a task-aware data processing pipeline that unifies multimodal inputs into a structured instruction format while preserving task-specific constraints. Tele-Omni supports a wide range of video-centric tasks, including text-to-video generation, image-to-video generation, first-last-frame video generation, in-context video generation, and in-context video editing. By decoupling instruction parsing from video synthesis and combining it with task-aware data design, Tele-Omni achieves flexible multimodal control while maintaining strong temporal coherence and visual consistency. Experimental results demonstrate that Tele-Omni achieves competitive performance across multiple tasks.
Abstract:Large language models (LLMs) can be adapted either through numerical updates that alter model parameters or symbolic manipulations that work on discrete prompts or logical constraints. While numerical fine-tuning excels at injecting new factual knowledge, symbolic updates offer flexible control of style and alignment without retraining. We introduce a neurosymbolic LoRA framework that dynamically combines these two complementary strategies. Specifically, we present a unified monitoring signal and a reward-based classifier to decide when to employ LoRA for deeper factual reconstruction and when to apply TextGrad for token-level edits. Our approach remains memory-efficient by offloading the symbolic transformations to an external LLM only when needed. Additionally, the refined prompts produced during symbolic editing serve as high-quality, reusable training data, an important benefit in data-scarce domains like mathematical reasoning. Extensive experiments across multiple LLM backbones show that neurosymbolic LoRA consistently outperforms purely numerical or purely symbolic baselines, demonstrating superior adaptability and improved performance. Our findings highlight the value of interleaving numerical and symbolic updates to unlock a new level of versatility in language model fine-tuning.
Abstract:Diffusion models have significantly advanced the field of talking head generation. However, the slow inference speeds and non-autoregressive paradigms severely constrain the application of diffusion-based THG models. In this study, we propose REST, the first diffusion-based, real-time, end-to-end streaming audio-driven talking head generation framework. To support real-time end-to-end generation, a compact video latent space is first learned through high spatiotemporal VAE compression. Additionally, to enable autoregressive streaming within the compact video latent space, we introduce an ID-Context Cache mechanism, which integrates ID-Sink and Context-Cache principles to key-value caching for maintaining temporal consistency and identity coherence during long-time streaming generation. Furthermore, an Asynchronous Streaming Distillation (ASD) training strategy is proposed to mitigate error accumulation in autoregressive generation and enhance temporal consistency, which leverages a non-streaming teacher with an asynchronous noise schedule to supervise the training of the streaming student model. REST bridges the gap between autoregressive and diffusion-based approaches, demonstrating substantial value for applications requiring real-time talking head generation. Experimental results demonstrate that REST outperforms state-of-the-art methods in both generation speed and overall performance.