Sequence of Expert: Boosting Imitation Planners for Autonomous Driving through Temporal Alternation

Imitation learning (IL) has emerged as a central paradigm in autonomous driving. While IL excels in matching expert behavior in open-loop settings by minimizing per-step prediction errors, its performance degrades unexpectedly in closed-loop due to the gradual accumulation of small, often imperceptible errors over time.Over successive planning cycles, these errors compound, potentially resulting in severe failures.Current research efforts predominantly rely on increasingly sophisticated network architectures or high-fidelity training datasets to enhance the robustness of IL planners against error accumulation, focusing on the state-level robustness at a single time point. However, autonomous driving is inherently a continuous-time process, and leveraging the temporal scale to enhance robustness may provide a new perspective for addressing this issue.To this end, we propose a method termed Sequence of Experts (SoE), a temporal alternation policy that enhances closed-loop performance without increasing model size or data requirements. Our experiments on large-scale autonomous driving benchmarks nuPlan demonstrate that SoE method consistently and significantly improves the performance of all the evaluated models, and achieves state-of-the-art performance.This module may provide a key and widely applicable support for improving the training efficiency of autonomous driving models.

Open Polymer Challenge: Post-Competition Report

Machine learning (ML) offers a powerful path toward discovering sustainable polymer materials, but progress has been limited by the lack of large, high-quality, and openly accessible polymer datasets. The Open Polymer Challenge (OPC) addresses this gap by releasing the first community-developed benchmark for polymer informatics, featuring a dataset with 10K polymers and 5 properties: thermal conductivity, radius of gyration, density, fractional free volume, and glass transition temperature. The challenge centers on multi-task polymer property prediction, a core step in virtual screening pipelines for materials discovery. Participants developed models under realistic constraints that include small data, label imbalance, and heterogeneous simulation sources, using techniques such as feature-based augmentation, transfer learning, self-supervised pretraining, and targeted ensemble strategies. The competition also revealed important lessons about data preparation, distribution shifts, and cross-group simulation consistency, informing best practices for future large-scale polymer datasets. The resulting models, analysis, and released data create a new foundation for molecular AI in polymer science and are expected to accelerate the development of sustainable and energy-efficient materials. Along with the competition, we release the test dataset at https://www.kaggle.com/datasets/alexliu99/neurips-open-polymer-prediction-2025-test-data. We also release the data generation pipeline at https://github.com/sobinalosious/ADEPT, which simulates more than 25 properties, including thermal conductivity, radius of gyration, and density.

Protein Structure Tokenization via Geometric Byte Pair Encoding

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs): existing approaches fix token size or rely on continuous vector codebooks, limiting interpretability, multi-scale control, and transfer across architectures. We introduce GeoBPE, a geometry-grounded PST that transforms continuous, noisy, multi-scale backbone conformations into discrete ``sentences'' of geometry while enforcing global constraints. Analogous to byte-pair encoding, GeoBPE generates a hierarchical vocabulary of geometric primitives by iteratively (i) clustering Geo-Pair occurrences with k-medoids to yield a resolution-controllable vocabulary; (ii) quantizing each Geo-Pair to its closest medoid prototype; and (iii) reducing drift through differentiable inverse kinematics that optimizes boundary glue angles under an $\mathrm{SE}(3)$ end-frame loss. GeoBPE offers compression ($>$10x reduction in bits-per-residue at similar distortion rate), data efficiency ($>$10x less training data), and generalization (maintains test/train distortion ratio of $1.0-1.1$). It is architecture-agnostic: (a) its hierarchical vocabulary provides a strong inductive bias for coarsening residue-level embeddings from large PLMs into motif- and protein-level representations, consistently outperforming leading PSTs across $12$ tasks and $24$ test splits; (b) paired with a transformer, GeoBPE supports unconditional backbone generation via language modeling; and (c) tokens align with CATH functional families and support expert-interpretable case studies, offering functional meaning absent in prior PSTs. Code is available at https://github.com/shiningsunnyday/PT-BPE/.

Learning to Pose Problems: Reasoning-Driven and Solver-Adaptive Data Synthesis for Large Reasoning Models

Data synthesis for training large reasoning models offers a scalable alternative to limited, human-curated datasets, enabling the creation of high-quality data. However, existing approaches face several challenges: (i) indiscriminate generation that ignores the solver's ability and yields low-value problems, or reliance on complex data pipelines to balance problem difficulty; and (ii) a lack of reasoning in problem generation, leading to shallow problem variants. In this paper, we develop a problem generator that reasons explicitly to plan problem directions before synthesis and adapts difficulty to the solver's ability. Specifically, we construct related problem pairs and augment them with intermediate problem-design CoT produced by a reasoning model. These data bootstrap problem-design strategies from the generator. Then, we treat the solver's feedback on synthetic problems as a reward signal, enabling the generator to calibrate difficulty and produce complementary problems near the edge of the solver's competence. Extensive experiments on 10 mathematical and general reasoning benchmarks show that our method achieves an average improvement of 2.5% and generalizes to both language and vision-language models. Moreover, a solver trained on the synthesized data provides improved rewards for continued generator training, enabling co-evolution and yielding a further 0.7% performance gain. Our code will be made publicly available here.

RLinf: Flexible and Efficient Large-scale Reinforcement Learning via Macro-to-Micro Flow Transformation

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.

ALScope: A Unified Toolkit for Deep Active Learning

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.

Directed Graph Grammars for Sequence-based Learning

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.

Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages

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.

FLTG: Byzantine-Robust Federated Learning via Angle-Based Defense and Non-IID-Aware Weighting

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.

Learning Repetition-Invariant Representations for Polymer Informatics

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.