Abstract:Reinforcement learning (RL) has demonstrated immense potential in advancing artificial general intelligence, agentic intelligence, and embodied intelligence. However, the inherent heterogeneity and dynamicity of RL workflows often lead to low hardware utilization and slow training on existing systems. In this paper, we present RLinf, a high-performance RL training system based on our key observation that the major roadblock to efficient RL training lies in system flexibility. To maximize flexibility and efficiency, RLinf is built atop a novel RL system design paradigm called macro-to-micro flow transformation (M2Flow), which automatically breaks down high-level, easy-to-compose RL workflows at both the temporal and spatial dimensions, and recomposes them into optimized execution flows. Supported by RLinf worker's adaptive communication capability, we devise context switching and elastic pipelining to realize M2Flow transformation, and a profiling-guided scheduling policy to generate optimal execution plans. Extensive evaluations on both reasoning RL and embodied RL tasks demonstrate that RLinf consistently outperforms state-of-the-art systems, achieving 1.1x-2.13x speedup in end-to-end training throughput.
Abstract:Deep Active Learning (DAL) reduces annotation costs by selecting the most informative unlabeled samples during training. As real-world applications become more complex, challenges stemming from distribution shifts (e.g., open-set recognition) and data imbalance have gained increasing attention, prompting the development of numerous DAL algorithms. However, the lack of a unified platform has hindered fair and systematic evaluation under diverse conditions. Therefore, we present a new DAL platform ALScope for classification tasks, integrating 10 datasets from computer vision (CV) and natural language processing (NLP), and 21 representative DAL algorithms, including both classical baselines and recent approaches designed to handle challenges such as distribution shifts and data imbalance. This platform supports flexible configuration of key experimental factors, ranging from algorithm and dataset choices to task-specific factors like out-of-distribution (OOD) sample ratio, and class imbalance ratio, enabling comprehensive and realistic evaluation. We conduct extensive experiments on this platform under various settings. Our findings show that: (1) DAL algorithms' performance varies significantly across domains and task settings; (2) in non-standard scenarios such as imbalanced and open-set settings, DAL algorithms show room for improvement and require further investigation; and (3) some algorithms achieve good performance, but require significantly longer selection time.
Abstract:Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic inference. We propose Foundation Molecular Grammar (FMG), which leverages multi-modal foundation models (MMFMs) to induce an interpretable molecular language. By exploiting the chemical knowledge of an MMFM, FMG renders molecules as images, describes them as text, and aligns information across modalities using prompt learning. FMG can be used as a drop-in replacement for the prior grammar learning approaches in molecular generation and property prediction. We show that FMG not only excels in synthesizability, diversity, and data efficiency but also offers built-in chemical interpretability for automated molecular discovery workflows. Code is available at https://github.com/shiningsunnyday/induction.
Abstract:Directed acyclic graphs (DAGs) are a class of graphs commonly used in practice, with examples that include electronic circuits, Bayesian networks, and neural architectures. While many effective encoders exist for DAGs, it remains challenging to decode them in a principled manner, because the nodes of a DAG can have many different topological orders. In this work, we propose a grammar-based approach to constructing a principled, compact and equivalent sequential representation of a DAG. Specifically, we view a graph as derivations over an unambiguous grammar, where the DAG corresponds to a unique sequence of production rules. Equivalently, the procedure to construct such a description can be viewed as a lossless compression of the data. Such a representation has many uses, including building a generative model for graph generation, learning a latent space for property prediction, and leveraging the sequence representational continuity for Bayesian Optimization over structured data. Code is available at https://github.com/shiningsunnyday/induction.
Abstract:Byzantine attacks during model aggregation in Federated Learning (FL) threaten training integrity by manipulating malicious clients' updates. Existing methods struggle with limited robustness under high malicious client ratios and sensitivity to non-i.i.d. data, leading to degraded accuracy. To address this, we propose FLTG, a novel aggregation algorithm integrating angle-based defense and dynamic reference selection. FLTG first filters clients via ReLU-clipped cosine similarity, leveraging a server-side clean dataset to exclude misaligned updates. It then dynamically selects a reference client based on the prior global model to mitigate non-i.i.d. bias, assigns aggregation weights inversely proportional to angular deviations, and normalizes update magnitudes to suppress malicious scaling. Evaluations across datasets of varying complexity under five classic attacks demonstrate FLTG's superiority over state-of-the-art methods under extreme bias scenarios and sustains robustness with a higher proportion(over 50%) of malicious clients.
Abstract:Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods, though effective for small molecules, only model the single unit of polymers and fail to produce consistent vector representations for the true polymer structure with varying numbers of units. To address this challenge, we introduce Graph Repetition Invariance (GRIN), a novel method to learn polymer representations that are invariant to the number of repeating units in their graph representations. GRIN integrates a graph-based maximum spanning tree alignment with repeat-unit augmentation to ensure structural consistency. We provide theoretical guarantees for repetition-invariance from both model and data perspectives, demonstrating that three repeating units are the minimal augmentation required for optimal invariant representation learning. GRIN outperforms state-of-the-art baselines on both homopolymer and copolymer benchmarks, learning stable, repetition-invariant representations that generalize effectively to polymer chains of unseen sizes.
Abstract:Despite significant advancements in multimodal reasoning tasks, existing Large Vision-Language Models (LVLMs) are prone to producing visually ungrounded responses when interpreting associated images. In contrast, when humans embark on learning new knowledge, they often rely on a set of fundamental pre-study principles: reviewing outlines to grasp core concepts, summarizing key points to guide their focus and enhance understanding. However, such preparatory actions are notably absent in the current instruction tuning processes. This paper presents Re-Critic, an easily scalable rationale-augmented framework designed to incorporate fundamental rules and chain-of-thought (CoT) as a bridge to enhance reasoning abilities. Specifically, Re-Critic develops a visual rationale synthesizer that scalably augments raw instructions with rationale explanation. To probe more contextually grounded responses, Re-Critic employs an in-context self-critic mechanism to select response pairs for preference tuning. Experiments demonstrate that models fine-tuned with our rationale-augmented dataset yield gains that extend beyond hallucination-specific tasks to broader multimodal reasoning tasks.
Abstract:Orthogonal time-frequency space (OTFS) is a potential waveform for integrated sensing and communications (ISAC) systems because it can manage communication and sensing metrics in one unified domain, and has better performance in high mobility scenarios. In practice, a target might come from far distance or with ultra-high speed. However, the max unambiguous range and max tolerable velocity of OTFS-ISAC system is limited by the unambiguous round-trip delay and Doppler shift, which are related to OTFS frame, i.e., time slots and subcarrier spacing, respectively. To enlarge the sensing range, a novel OTFS cross-frame ranging and velocity estimation model as well as its corresponding method based on the Chinese remainder theorem (CRT) are proposed in this paper. By designing co-prime numbers of subcarriers and time slots in different subframes, the difference in the responses of the subframes for a target can be used to estimate the distance and velocity of an out-of-range target. Several frame structures are further designed for specific sensing scenarios, such as target with ultra-high speed or at far distance. Simulation results show that the proposed method can achieve significantly better performance in NMSE compared with the classic sensing methods under the condition of same time and frequency resources.
Abstract:The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT$^{2}$ (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT$^{2}$ database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.
Abstract:Multimodal Large Language Models (MLLMs) inherit the superior text understanding capabilities of LLMs and extend these capabilities to multimodal scenarios. These models achieve excellent results in the general domain of multimodal tasks. However, in the medical domain, the substantial training costs and the requirement for extensive medical data pose challenges to the development of medical MLLMs. Furthermore, due to the free-text form of answers, tasks such as visual grounding that need to produce output in a prescribed form become difficult for MLLMs. So far, there have been no medical MLLMs works in medical visual grounding area. For the medical vision grounding task, which involves identifying locations in medical images based on short text descriptions, we propose Parameter-efficient Fine-tuning medical multimodal large language models for Medcial Visual Grounding (PFMVG). To validate the performance of the model, we evaluate it on a public benchmark dataset for medical visual grounding, where it achieves competitive results, and significantly outperforming GPT-4v. Our code will be open sourced after peer review.