Technology
Retrosynthesis Planning via Worst-path Policy Optimisation in Tree-structured MDPs
Retrosynthesis planning aims to decompose target molecules into available building blocks, forming a synthetic tree where each internal node represents an intermediate compound and each leaf ideally corresponds to a purchasable reactant. However, this tree becomes invalid if any leaf node is not a valid building block, making the planning process vulnerable to the weakest link in the synthetic route. Existing methods often optimise for average performance across branches, failing to account for this worst-case sensitivity.
Gaze Beyond the Frame: Forecasting Egocentric 3D Visual Span
People continuously perceive and interact with their surroundings based on underlying intentions that drive their exploration and behaviors. While research in egocentric user and scene understanding has focused primarily on motion and contact-based interaction, forecasting human visual perception itself remains less explored despite its fundamental role in guiding human actions and its implications for AR/VR and assistive technologies. We address the challenge of egocentric 3D visual span forecasting, predicting where a person's visual perception will focus next within their three-dimensional environment. To this end, we propose EgoSpanLift, a novel method that transforms egocentric visual span forecasting from 2D image planes to 3D scenes. EgoSpanLift converts SLAM-derived keypoints into gaze-compatible geometry and extracts volumetric visual span regions. We further combine EgoSpanLift with 3D U-Net and unidirectional transformers, enabling spatio-temporal fusion to efficiently predict future visual span in the 3D grid.
Faithful Dynamic Imitation Learning from Human Intervention with Dynamic Regret Minimization
Human-in-the-loop (HIL) imitation learning enables agents to learn complex behaviors safely through real-time human intervention. However, existing methods struggle to efficiently leverage agent-generated data due to dynamically evolving trajectory distributions and imperfections caused by human intervention delays, often failing to faithfully imitate the human expert policy. In this work, we propose Faithful Dynamic Imitation Learning (FaithDaIL) to address these challenges. We formulate HIL imitation learning as an online non-convex problem and employ dynamic regret minimization to adapt to the shifting data distribution and track high-quality policy trajectories. To ensure faithful imitation of the human expert despite training on mixed agent and human data, we introduce an unbiased imitation objective and achieve it by weighting the behavior distribution relative to the human expert's as a proxy reward. Extensive experiments on MetaDrive and CARLA driving benchmarks demonstrate that FaithDaIL achieves state-of-the-art performance in safety and task success with significantly reduced human intervention data compared to prior HIL baselines.
Reinforcement Learning Finetunes Small Subnetworks in Large Language Models
Reinforcement learning (RL) yields substantial improvements in large language models' (LLMs) downstream task performance and alignment with human values. Surprisingly, such large gains result from updating only a small subnetwork comprising just 5%-30% of the parameters, with the rest effectively unchanged. We refer to this phenomenon as parameter update sparsity induced by RL. It is observed across all 7 widely-used RL algorithms (e.g., PPO, GRPO, DPO) and all 10 LLMs from different families in our experiments. This sparsity is intrinsic and occurs without any explicit sparsity-promoting regularizations or architectural constraints.
ViDAR: Video Diffusion-Aware 4D Reconstruction From Monocular Inputs
Dynamic Novel View Synthesis aims to generate photorealistic views of moving subjects from arbitrary viewpoints. This task is particularly challenging when relying on monocular video, where disentangling structure from motion is ill-posed and supervision is scarce. We introduce Video Diffusion-Aware Reconstruction (ViDAR), a novel 4D reconstruction framework that leverages personalised diffusion models to synthesise a pseudo multi-view supervision signal for training a Gaussian splatting representation. By conditioning on scene-specific features, ViDAR recovers fine-grained appearance details while mitigating artefacts introduced by monocular ambiguity. To address the spatio-temporal inconsistency of diffusion-based supervision, we propose a diffusion-aware loss function and a camera pose optimisation strategy that aligns synthetic views with the underlying scene geometry. Experiments on DyCheck, a challenging benchmark with extreme viewpoint variation, show that ViDAR outperforms all state-of-the-art baselines in visual quality and geometric consistency. We further highlight ViDAR's strong improvement over baselines on dynamic regions and provide a new benchmark to compare performance in reconstructing motion-rich parts of the scene.
Shape it Up! Restoring LLM Safety during Finetuning
Finetuning large language models (LLMs) enables user-specific customization but introduces important safety risks: even a few harmful examples can compromise safety alignment. A common mitigation strategy is to update the model more strongly on examples deemed safe, while downweighting or excluding those flagged as unsafe. However, because safety context can shift within a single example, updating the model equally on both harmful and harmless parts of a response is suboptimal -- an atomic treatment we term static safety shaping. In contrast, we propose dynamic safety shaping (DSS), a dynamic shaping framework that uses fine-grained safety signals to reinforce learning from safe segments of a response while suppressing unsafe content. To enable such fine-grained control during finetuning, we introduce a key insight: guardrail models, traditionally used for filtering, can be repurposed to evaluate partial responses, tracking how safety risk evolves throughout the response, segment by segment. This leads to the Safety Trajectory Assessment of Response (STAR), a token-level signal that enables shaping to operate dynamically over the training sequence. Building on this, we present DSS, a DSS method guided by STAR scores that robustly mitigates finetuning risks and delivers substantial safety improvements across diverse threats, datasets, and model families, all without compromising capability on intended tasks. We encourage future safety research to build on dynamic shaping principles for stronger mitigation against evolving finetuning risks.
Sketched Gaussian Mechanism for Private Federated Learning
Communication cost and privacy are two major considerations in federated learning (FL). For communication cost, gradient compression by sketching the clients' transmitted model updates is often used for reducing per round communication. For privacy, the Gaussian mechanism (GM), which consists of clipping updates and adding Gaussian noise, is commonly used to guarantee client level differential privacy. Existing literature on private FL analyzes privacy of sketching and GM in an isolated manner, illustrating that sketching provides privacy determined by the sketching dimension and that GM has to supply any additional desired privacy. In this paper, we introduce the Sketched Gaussian Mechanism (SGM), which directly combines sketching and the Gaussian mechanism for privacy.
Noise Matters: Optimizing Matching Noise for Diffusion Classifiers
Although today's pretrained discriminative vision-language models (e.g., CLIP) have demonstrated strong perception abilities, such as zero-shot image classification, they also suffer from the bag-of-words problem and spurious bias. To mitigate these problems, some pioneering studies leverage powerful generative models (e.g., pretrained diffusion models) to realize generalizable image classification, dubbed Diffusion Classifier (DC). Specifically, by randomly sampling a Gaussian noise, DC utilizes the differences of denoising effects with different category conditions to classify categories. Unfortunately, an inherent and notorious weakness of existing DCs is noise instability: different random sampled noises lead to significant performance changes. To achieve stable classification performance, existing DCs always ensemble the results of hundreds of sampled noises, which significantly reduces the classification speed.