A Synthetically-accessible Universe of Chemically Recyclable Polymers

Polymers synthesized via ring-opening polymerization (ROP) of cyclic monomers represent an important class of materials due to their chemical recyclability and possible insertion in several critical applications. We present a dataset of 1 million synthetically realizable ROP polymer structures generated through a combination of Virtual Forward Synthesis (VFS) and polymer expert language models and qualified by stringent chemical heuristics. VFS is used to generate ROP polymers by applying known reactions to existing monomers. The polymer foundation models polyBART and POLYT5 further enable the generation of ROP candidates, with polyBART exploring its learned latent space and POLYT5 producing candidates via sequence-to-sequence generation. The resulting ROP polymers are subjected to robust filtering criteria to ensure novelty, validity and overall data quality through a combination of automated validation pipelines and a comprehensive set of chemist-informed heuristic rules introduced in this work for the first time. We hope that this dataset will serve as a valuable resource for downstream sustainable applications.

Neuro-Symbolic Drive: Rule-Grounded Faithful Reasoning for Driving VLAs

Driving VLA models incorporating Chain-of-Thought (CoT) reasoning are attractive because they leverage pretrained VLM representations and expose intermediate decisions in natural language, yet current rationales often lack the step-by-step decision semantics needed to keep the rationale causally connected to the planned motion. We introduce Neuro-Symbolic Drive, a neuro-symbolic driving framework that supervises a driving VLA with rule-grounded reasoning traces extracted directly from classical rule-based planners. Our key observation is that rule-based planners are symbolic AI systems that already function as executable reasoning engines: they reason about active safety constraints, search over candidate maneuvers, and select a final trajectory. We instrument these planners in simulation to capture both the executed trajectory and the internal decision trace at each rule-evaluation step. Each trace is serialized into structured rule-grounded reasoning and paired with the trajectory to fine-tune Qwen3.5-4B as a driving VLA. Because these traces are derived directly from the planner states that determine the action, they ensure reasoning is structurally coupled to motion generation by construction, rather than by post-hoc alignment. On our simulator-generated benchmark, detailed rule-grounded reasoning reduces ADE@3s from 0.47 to 0.26 and miss rate from 8.30% to 6.40% under three-camera perception, and from 0.54 to 0.26 and 10.13% to 5.99% under eight-camera perception. Neuro-Symbolic Drive thus converts neuro-symbolic planning logic into structured supervision. Code base: https://github.com/XiangboGaoBarry/Neural-Symbolic-Drive.

FAST: A Framework for Aligned Sampling and Training in Parallel Reinforcement Learning for Autonomous Driving

Deep reinforcement learning is pivotal for closed-loop autonomous driving yet remains constrained by severe bottlenecks in sampling efficiency. Standard parallel sampling mitigates this but suffers from the straggler effect, where the premature termination of a single environment necessitates a synchronized batch re-initialization, leading to suboptimal sample utilization and prohibitive re-initialization latency. To address this, we propose FAST, a synchronous parallel framework tailored for closed-loop simulation. Specifically, FAST employs Dynamic Parallel Sampling Alignment (DPSA) to maintain vectorization synchronization by extending terminated episodes via virtual continuation, thereby decoupling the sampling loop from individual terminations. By dynamically triggering global truncation based on the termination rate of parallel clips, FAST effectively eliminates the bottleneck of premature resets without sacrificing data diversity. Furthermore, to strictly preserve theoretical consistency, we incorporate a Scaled Mask-Padding Optimization (SMPO) that leverages validity masking and adaptive loss normalization to nullify the bias from auxiliary padding data. Empirical evaluations demonstrate that FAST achieves at least a 1.78 times wall-clock speedup over the single-clip baseline while preserving statistical unbiasedness.

Aurora: Unified Video Editing with a Tool-Using Agent

Recent video editing models have converged on a unified conditioning design: a single diffusion transformer jointly consumes text, source video, and reference images, and one set of weights covers replacement, removal, style transfer, and reference-driven insertion. The design is flexible, but it assumes that the user already provides model-ready text, reference images, and spatial grounding for local edits, which real requests often omit. We present Aurora, an agentic video editing framework that pairs a tool-augmented vision-language model (VLM) agent with a unified video diffusion transformer. The VLM agent maps a raw user request to a structured edit plan aligned with the transformer's conditioning channels, thereby resolving textual and visual underspecification before generation. We train the VLM agent with supervised data for complete edit planning and reference-image selection, together with preference pairs for robust tool use and instruction refinement. We introduce AgentEdit-Bench to evaluate agent-enhanced video editing under textual and visual underspecification. Experiments on AgentEdit-Bench and two existing video editing benchmarks show that Aurora improves over instruction-only baselines and that the VLM agent transfers to compatible frozen video editing models. Project page: https://yeates.github.io/Aurora-Page

Accelerating 4D Hyperspectral Imaging through Physics-Informed Neural Representation and Adaptive Sampling

High-dimensional hyperspectral imaging (HSI) enables the visualization of ultrafast molecular dynamics and complex, heterogeneous spectra. However, applying this capability to resolve spatially varying vibrational couplings in two-dimensional infrared (2DIR) spectroscopy, a type of coherent multidimensional spectroscopy (CMDS), necessitates prohibitively long data acquisition, driven by dense Nyquist sampling requirements and the need for extensive signal accumulation. To address this challenge, we introduce a physics-informed neural representation approach that efficiently reconstructs dense spatially-resolved 2DIR hyperspectral images from sparse experimental measurements. In particular, we used a multilayer perceptron (MLP) to model the relationship between the sub-sampled 4D coordinates and their corresponding spectral intensities, and recover densely sampled 4D spectra from limited observations. The reconstruction results demonstrate that our method, using a fraction of the samples, faithfully recovers both oscillatory and non-oscillatory spectral dynamics in experimental measurement. Moreover, we develop a loss-aware adaptive sampling method to progressively introduce potentially informative samples for iterative data collection while conducting experiments. Experimental results show that the proposed approach achieves high-fidelity spectral recovery using only $1/32$ of the sampling budget, as opposed to exhaustive sampling, effectively reducing total experiment time by up to 32-fold. This framework offers a scalable solution for accelerating any experiments with hypercube data, including multidimensional spectroscopy and hyperspectral imaging, paving the way for rapid chemical imaging of transient biological and material systems.

PhysAlign: Physics-Coherent Image-to-Video Generation through Feature and 3D Representation Alignment

Video Diffusion Models (VDMs) offer a promising approach for simulating dynamic scenes and environments, with broad applications in robotics and media generation. However, existing models often generate temporally incoherent content that violates basic physical intuition, significantly limiting their practical applicability. We propose PhysAlign, an efficient framework for physics-coherent image-to-video (I2V) generation that explicitly addresses this limitation. To overcome the critical scarcity of physics-annotated videos, we first construct a fully controllable synthetic data generation pipeline based on rigid-body simulation, yielding a highly-curated dataset with accurate, fine-grained physics and 3D annotations. Leveraging this data, PhysAlign constructs a unified physical latent space by coupling explicit 3D geometry constraints with a Gram-based spatio-temporal relational alignment that extracts kinematic priors from video foundation models. Extensive experiments demonstrate that PhysAlign significantly outperforms existing VDMs on tasks requiring complex physical reasoning and temporal stability, without compromising zero-shot visual quality. PhysAlign shows the potential to bridge the gap between raw visual synthesis and rigid-body kinematics, establishing a practical paradigm for genuinely physics-grounded video generation. The project page is available at https://physalign.github.io/PhysAlign.

Retrieval Augmented Generation of Literature-derived Polymer Knowledge: The Example of a Biodegradable Polymer Expert System

Polymer literature contains a large and growing body of experimental knowledge, yet much of it is buried in unstructured text and inconsistent terminology, making systematic retrieval and reasoning difficult. Existing tools typically extract narrow, study-specific facts in isolation, failing to preserve the cross-study context required to answer broader scientific questions. Retrieval-augmented generation (RAG) offers a promising way to overcome this limitation by combining large language models (LLMs) with external retrieval, but its effectiveness depends strongly on how domain knowledge is represented. In this work, we develop two retrieval pipelines: a dense semantic vector-based approach (VectorRAG) and a graph-based approach (GraphRAG). Using over 1,000 polyhydroxyalkanoate (PHA) papers, we construct context-preserving paragraph embeddings and a canonicalized structured knowledge graph supporting entity disambiguation and multi-hop reasoning. We evaluate these pipelines through standard retrieval metrics, comparisons with general state-of-the-art systems such as GPT and Gemini, and qualitative validation by a domain chemist. The results show that GraphRAG achieves higher precision and interpretability, while VectorRAG provides broader recall, highlighting complementary trade-offs. Expert validation further confirms that the tailored pipelines, particularly GraphRAG, produce well-grounded, citation-reliable responses with strong domain relevance. By grounding every statement in evidence, these systems enable researchers to navigate the literature, compare findings across studies, and uncover patterns that are difficult to extract manually. More broadly, this work establishes a practical framework for building materials science assistants using curated corpora and retrieval design, reducing reliance on proprietary models while enabling trustworthy literature analysis at scale.

Gene regulatory network inference algorithm based on spectral signed directed graph convolution

Accurately reconstructing Gene Regulatory Networks (GRNs) is crucial for understanding gene functions and disease mechanisms. Single-cell RNA sequencing (scRNA-seq) technology provides vast data for computational GRN reconstruction. Since GRNs are ideally modeled as signed directed graphs to capture activation/inhibition relationships, the most intuitive and reasonable approach is to design feature extractors based on the topological structure of GRNs to extract structural features, then combine them with biological characteristics for research. However, traditional spectral graph convolution struggles with this representation. Thus, we propose MSGRNLink, a novel framework that explicitly models GRNs as signed directed graphs and employs magnetic signed Laplacian convolution. Experiments across simulated and real datasets demonstrate that MSGRNLink outperforms all baseline models in AUROC. Parameter sensitivity analysis and ablation studies confirmed its robustness and the importance of each module. In a bladder cancer case study, MSGRNLink predicted more known edges and edge signs than benchmark models, further validating its biological relevance.

Reinforce-Ada: An Adaptive Sampling Framework for Reinforce-Style LLM Training

Reinforcement learning applied to large language models (LLMs) for reasoning tasks is often bottlenecked by unstable gradient estimates due to fixed and uniform sampling of responses across prompts. Prior work such as GVM-RAFT addresses this by dynamically allocating inference budget per prompt to minimize stochastic gradient variance under a budget constraint. Inspired by this insight, we propose Reinforce-Ada, an adaptive sampling framework for online RL post-training of LLMs that continuously reallocates sampling effort to the prompts with the greatest uncertainty or learning potential. Unlike conventional two-stage allocation methods, Reinforce-Ada interleaves estimation and sampling in an online successive elimination process, and automatically stops sampling for a prompt once sufficient signal is collected. To stabilize updates, we form fixed-size groups with enforced reward diversity and compute advantage baselines using global statistics aggregated over the adaptive sampling phase. Empirical results across multiple model architectures and reasoning benchmarks show that Reinforce-Ada accelerates convergence and improves final performance compared to GRPO, especially when using the balanced sampling variant. Our work highlights the central role of variance-aware, adaptive data curation in enabling efficient and reliable reinforcement learning for reasoning-capable LLMs. Code is available at https://github.com/RLHFlow/Reinforce-Ada.

StepWiser: Stepwise Generative Judges for Wiser Reasoning

As models increasingly leverage multi-step reasoning strategies to solve complex problems, supervising the logical validity of these intermediate steps has become a critical research challenge. Process reward models address this by providing step-by-step feedback, but current approaches have two major drawbacks: they typically function as classifiers without providing explanations, and their reliance on supervised fine-tuning with static datasets limits generalization. Inspired by recent advances, we reframe stepwise reward modeling from a classification task to a reasoning task itself. We thus propose a generative judge that reasons about the policy model's reasoning steps (i.e., meta-reasons), outputting thinking tokens before delivering a final verdict. Our model, StepWiser, is trained by reinforcement learning using relative outcomes of rollouts. We show it provides (i) better judgment accuracy on intermediate steps than existing methods; (ii) can be used to improve the policy model at training time; and (iii) improves inference-time search.