UGA
Abstract:Understanding cellular machinery requires atomic-scale reconstruction of large biomolecular assemblies. However, predicting the structures of these systems has been constrained by hardware memory requirements of models like AlphaFold 3, imposing a practical ceiling of a few thousand residues that can be processed on a single GPU. Here we present NVIDIA BioNeMo Fold-CP, a context parallelism framework that overcomes this barrier by distributing the inference and training pipelines of co-folding models across multiple GPUs. We use the Boltz models as open source reference architectures and implement custom multidimensional primitives that efficiently parallelize both the dense triangular updates and the irregular, data-dependent pattern of window-batched local attention. Our approach achieves efficient memory scaling; for an N-token input distributed across P GPUs, per-device memory scales as $O(N^2/P)$, enabling the structure prediction of assemblies exceeding 30,000 residues on 64 NVIDIA B300 GPUs. We demonstrate the scientific utility of this approach through successful developer use cases: Fold-CP enabled the scoring of over 90% of Comprehensive Resource of Mammalian protein complexes (CORUM) database, as well as folding of disease-relevant PI4KA lipid kinase complex bound to an intrinsically disordered region without cropping. By providing a scalable pathway for modeling massive systems with full global context, Fold-CP represents a significant step toward the realization of a virtual cell.
Abstract:Wave equations are fundamental to describing a vast array of physical phenomena, yet their simulation in inhomogeneous media poses a computational challenge due to the highly oscillatory nature of the solutions. To overcome the high costs of traditional solvers, we propose the Windowed Fourier Propagator (WFP), a novel neural operator that efficiently learns the solution operator. The WFP's design is rooted in the physical principle of frequency locality, where wave energy scatters primarily to adjacent frequencies. By learning a set of compact, localized propagators, each mapping an input frequency to a small window of outputs, our method avoids the complexity of dense interaction models and achieves computational efficiency. Another key feature is the explicit preservation of superposition, which enables remarkable generalization from simple training data (e.g., plane waves) to arbitrary, complex wave states. We demonstrate that the WFP provides an explainable, efficient and accurate framework for data-driven wave modeling in complex media.
Abstract:Developing Audio-Visual Large Language Models (AV-LLMs) for unified scene understanding is pivotal in multimodal intelligence. While instruction tuning enables pre-trained models with multi-task abilities, we observe that conventional multi-task unification methods often suffer from severe negative transfer, where nearly 55% of tasks degrade compared to single-task training. We attribute this phenomenon to audio-visual task heterogeneity, characterized by disparate task granularity and divergent capability demands, which lead to negative interference under joint training. To tackle this, we present Crab$^{+}$, a scalable and unified audio-visual scene understanding model that addresses task heterogeneity through explicit cooperation from both data and model perspectives. On the data side, we introduce AV-UIE v2, a comprehensive Audio-Visual Unified Instruction-tuning dataset with Explicit reasoning processes. It contains approximately 222K samples spanning 17 datasets and 7 tasks, enabling the model to capture cross-task relationships at different levels of granularity. On the model side, we design a unified interface to align heterogeneous task formulations, and propose Interaction-aware LoRA (I-LoRA), which explicitly models inter-task relationships via dynamic routing to coordinate distinct audio-visual interaction patterns, mitigating parameter interference. Extensive experiments show Crab$^{+}$ covers broader tasks than existing unified models while outperforming specialized models on various benchmarks. We successfully reverse the negative transfer trend, achieving positive transfer where multi-task learning surpasses single-task baselines in nearly 88% of tasks. These results hold across diverse AV-LLM paradigms and are validated through in-depth visualization, positioning Crab$^{+}$ as a robust step towards holistic audio-visual scene understanding.
Abstract:Complex video reasoning, actually, relies excessively on fine-grained perception rather than on expert (e.g., Ph.D, Science)-level reasoning. Through extensive empirical observation, we have recognized the critical impact of perception. In particular, when perception ability is almost fixed, enhancing reasoning from Qwen3-8B to OpenAI-o3 yields only 0.7% performance improvement. Conversely, even minimal change in perception model scale (from 7B to 32B) boosts performance by 1.4%, indicating enhancing perception, rather than reasoning, is more critical to improve performance. Therefore, exploring how to enhance perception ability through reasoning without the need for expensive fine-grained annotation information is worthwhile. To achieve this goal, we specially propose APPO, the Attention-guided Perception Policy Optimization algorithm that leverages token-level dense rewards to improve model's fine-grained perception. The core idea behind APPO is to optimize those tokens from different responses that primarily focus on the same crucial video frame (called intra-group perception tokens). Experimental results on diverse video benchmarks and models with different scales (3/7B) demonstrate APPO consistently outperforms GRPO and DAPO (0.5%~4%). We hope our work provides a promising approach to effectively enhance model's perception abilities through reasoning in a low-cost manner, serving diverse scenarios and demands.
Abstract:Large Language Models (LLMs) demonstrate potentials for automating scientific code generation but face challenges in reliability, error propagation in multi-agent workflows, and evaluation in domains with ill-defined success metrics. We present a Bayesian adversarial multi-agent framework specifically designed for AI for Science (AI4S) tasks in the form of a Low-code Platform (LCP). Three LLM-based agents are coordinated under the Bayesian framework: a Task Manager that structures user inputs into actionable plans and adaptive test cases, a Code Generator that produces candidate solutions, and an Evaluator providing comprehensive feedback. The framework employs an adversarial loop where the Task Manager iteratively refines test cases to challenge the Code Generator, while prompt distributions are dynamically updated using Bayesian principles by integrating code quality metrics: functional correctness, structural alignment, and static analysis. This co-optimization of tests and code reduces dependence on LLM reliability and addresses evaluation uncertainty inherent to scientific tasks. LCP also streamlines human-AI collaboration by translating non-expert prompts into domain-specific requirements, bypassing the need for manual prompt engineering by practitioners without coding backgrounds. Benchmark evaluations demonstrate LCP's effectiveness in generating robust code while minimizing error propagation. The proposed platform is also tested on an Earth Science cross-disciplinary task and demonstrates strong reliability, outperforming competing models.
Abstract:Agentic Reinforcement Learning (Agentic RL) has shown remarkable potential in large language model-based (LLM) agents. These works can empower LLM agents to tackle complex tasks via multi-step, tool-integrated reasoning. However, an inherent limitation of existing Agentic RL methods is their reliance on a pure on-policy paradigm for exploration, restricting exploration to the agent's self-generated outputs and preventing the discovery of new reasoning perspectives for further improvement. While recent efforts incorporate auxiliary off-policy signals to enhance exploration, they typically utilize full off-policy trajectories for trajectory-level policy estimation, overlooking the necessity for the fine-grained, step-level exploratory dynamics within agentic rollout. In this paper, we revisit exploration in Agentic RL and propose Retrieval-Augmented Policy Optimization (RAPO), a novel RL framework that introduces retrieval to explicitly expand exploration during training. To achieve this, we decompose the Agentic RL training process into two phases: (i) Hybrid-policy Agentic Rollout, and (ii) Retrieval-aware Policy Optimization. Specifically, we propose a Hybrid-policy Agentic Rollout strategy, which allows the agents to continuously reason over the retrieved off-policy step-level traces. It dynamically extends the reasoning receptive field of agents, enabling broader exploration conditioned on external behaviors. Subsequently, we introduce the Retrieval-aware Policy Optimization mechanism, which calibrates the policy gradient estimation with retrieval reward and importance shaping, stabilizing training and prioritizing retrieval-illuminating exploration. Extensive experiments show that RAPO achieves an +5.0% average gain on fourteen datasets across three agentic reasoning tasks, while delivering 1.2x faster training efficiency.
Abstract:Vision-language models remain susceptible to multimodal jailbreaks and over-refusal because safety hinges on both visual evidence and user intent, while many alignment pipelines supervise only the final response. To address this, we present SaFeR-ToolKit, which formalizes safety decision-making as a checkable protocol. Concretely, a planner specifies a persona, a Perception $\to$ Reasoning $\to$ Decision tool set, and a constrained transition graph, while a responder outputs a typed key-value tool trace before the final answer. To make the protocol reliably followed in practice, we train a single policy with a three-stage curriculum (SFT $\to$ DPO $\to$ GRPO), where GRPO directly supervises tool usage beyond answer-level feedback. Our contributions are two-fold: I. Dataset. The first tool-based safety reasoning dataset, comprising 31,654 examples (SFT 6k, DPO 18.6k, GRPO 6k) plus 1k held-out evaluation. II. Experiments. On Qwen2.5-VL, SaFeR-ToolKit significantly improves Safety/Helpfulness/Reasoning Rigor on 3B (29.39/45.04/4.98 $\to$ 84.40/71.13/78.87) and 7B (53.21/52.92/19.26 $\to$ 86.34/80.79/85.34), while preserving general capabilities (3B: 58.67 $\to$ 59.21; 7B: 66.39 $\to$ 66.81). Codes are available at https://github.com/Duebassx/SaFeR_ToolKit.
Abstract:Inspired by the human learning and memory system, particularly the interplay between the hippocampus and cerebral cortex, this study proposes a dual-learner framework comprising a fast learner and a meta learner to address continual Reinforcement Learning~(RL) problems. These two learners are coupled to perform distinct yet complementary roles: the fast learner focuses on knowledge transfer, while the meta learner ensures knowledge integration. In contrast to traditional multi-task RL approaches that share knowledge through average return maximization, our meta learner incrementally integrates new experiences by explicitly minimizing catastrophic forgetting, thereby supporting efficient cumulative knowledge transfer for the fast learner. To facilitate rapid adaptation in new environments, we introduce an adaptive meta warm-up mechanism that selectively harnesses past knowledge. We conduct experiments in various pixel-based and continuous control benchmarks, revealing the superior performance of continual learning for our proposed dual-learner approach relative to baseline methods. The code is released in https://github.com/datake/FAME.
Abstract:Multi-track music generation has garnered significant research interest due to its precise mixing and remixing capabilities. However, existing models often overlook essential attributes such as rhythmic stability and synchronization, leading to a focus on differences between tracks rather than their inherent properties. In this paper, we introduce SyncTrack, a synchronous multi-track waveform music generation model designed to capture the unique characteristics of multi-track music. SyncTrack features a novel architecture that includes track-shared modules to establish a common rhythm across all tracks and track-specific modules to accommodate diverse timbres and pitch ranges. Each track-shared module employs two cross-track attention mechanisms to synchronize rhythmic information, while each track-specific module utilizes learnable instrument priors to better represent timbre and other unique features. Additionally, we enhance the evaluation of multi-track music quality by introducing rhythmic consistency through three novel metrics: Inner-track Rhythmic Stability (IRS), Cross-track Beat Synchronization (CBS), and Cross-track Beat Dispersion (CBD). Experiments demonstrate that SyncTrack significantly improves the multi-track music quality by enhancing rhythmic consistency.
Abstract:While recent advances in humanoid locomotion have achieved stable walking on varied terrains, capturing the agility and adaptivity of highly dynamic human motions remains an open challenge. In particular, agile parkour in complex environments demands not only low-level robustness, but also human-like motion expressiveness, long-horizon skill composition, and perception-driven decision-making. In this paper, we present Perceptive Humanoid Parkour (PHP), a modular framework that enables humanoid robots to autonomously perform long-horizon, vision-based parkour across challenging obstacle courses. Our approach first leverages motion matching, formulated as nearest-neighbor search in a feature space, to compose retargeted atomic human skills into long-horizon kinematic trajectories. This framework enables the flexible composition and smooth transition of complex skill chains while preserving the elegance and fluidity of dynamic human motions. Next, we train motion-tracking reinforcement learning (RL) expert policies for these composed motions, and distill them into a single depth-based, multi-skill student policy, using a combination of DAgger and RL. Crucially, the combination of perception and skill composition enables autonomous, context-aware decision-making: using only onboard depth sensing and a discrete 2D velocity command, the robot selects and executes whether to step over, climb onto, vault or roll off obstacles of varying geometries and heights. We validate our framework with extensive real-world experiments on a Unitree G1 humanoid robot, demonstrating highly dynamic parkour skills such as climbing tall obstacles up to 1.25m (96% robot height), as well as long-horizon multi-obstacle traversal with closed-loop adaptation to real-time obstacle perturbations.