Policy Bifurcation in Safe Reinforcement Learning

Safe reinforcement learning (RL) offers advanced solutions to constrained optimal control problems. Existing studies in safe RL implicitly assume continuity in policy functions, where policies map states to actions in a smooth, uninterrupted manner; however, our research finds that in some scenarios, the feasible policy should be discontinuous or multi-valued, interpolating between discontinuous local optima can inevitably lead to constraint violations. We are the first to identify the generating mechanism of such a phenomenon, and employ topological analysis to rigorously prove the existence of policy bifurcation in safe RL, which corresponds to the contractibility of the reachable tuple. Our theorem reveals that in scenarios where the obstacle-free state space is non-simply connected, a feasible policy is required to be bifurcated, meaning its output action needs to change abruptly in response to the varying state. To train such a bifurcated policy, we propose a safe RL algorithm called multimodal policy optimization (MUPO), which utilizes a Gaussian mixture distribution as the policy output. The bifurcated behavior can be achieved by selecting the Gaussian component with the highest mixing coefficient. Besides, MUPO also integrates spectral normalization and forward KL divergence to enhance the policy's capability of exploring different modes. Experiments with vehicle control tasks show that our algorithm successfully learns the bifurcated policy and ensures satisfying safety, while a continuous policy suffers from inevitable constraint violations.

Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks

Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the multi-modality and noise-sensitive nature of molecule geometry. This work introduces Geometric Bayesian Flow Networks (GeoBFN), which naturally fits molecule geometry by modeling diverse modalities in the differentiable parameter space of distributions. GeoBFN maintains the SE-(3) invariant density modeling property by incorporating equivariant inter-dependency modeling on parameters of distributions and unifying the probabilistic modeling of different modalities. Through optimized training and sampling techniques, we demonstrate that GeoBFN achieves state-of-the-art performance on multiple 3D molecule generation benchmarks in terms of generation quality (90.87% molecule stability in QM9 and 85.6% atom stability in GEOM-DRUG. GeoBFN can also conduct sampling with any number of steps to reach an optimal trade-off between efficiency and quality (e.g., 20-times speedup without sacrificing performance).

DecisionNCE: Embodied Multimodal Representations via Implicit Preference Learning

Multimodal pretraining has emerged as an effective strategy for the trinity of goals of representation learning in autonomous robots: 1) extracting both local and global task progression information; 2) enforcing temporal consistency of visual representation; 3) capturing trajectory-level language grounding. Most existing methods approach these via separate objectives, which often reach sub-optimal solutions. In this paper, we propose a universal unified objective that can simultaneously extract meaningful task progression information from image sequences and seamlessly align them with language instructions. We discover that via implicit preferences, where a visual trajectory inherently aligns better with its corresponding language instruction than mismatched pairs, the popular Bradley-Terry model can transform into representation learning through proper reward reparameterizations. The resulted framework, DecisionNCE, mirrors an InfoNCE-style objective but is distinctively tailored for decision-making tasks, providing an embodied representation learning framework that elegantly extracts both local and global task progression features, with temporal consistency enforced through implicit time contrastive learning, while ensuring trajectory-level instruction grounding via multimodal joint encoding. Evaluation on both simulated and real robots demonstrates that DecisionNCE effectively facilitates diverse downstream policy learning tasks, offering a versatile solution for unified representation and reward learning. Project Page: https://2toinf.github.io/DecisionNCE/

EMIFF: Enhanced Multi-scale Image Feature Fusion for Vehicle-Infrastructure Cooperative 3D Object Detection

In autonomous driving, cooperative perception makes use of multi-view cameras from both vehicles and infrastructure, providing a global vantage point with rich semantic context of road conditions beyond a single vehicle viewpoint. Currently, two major challenges persist in vehicle-infrastructure cooperative 3D (VIC3D) object detection: $1)$ inherent pose errors when fusing multi-view images, caused by time asynchrony across cameras; $2)$ information loss in transmission process resulted from limited communication bandwidth. To address these issues, we propose a novel camera-based 3D detection framework for VIC3D task, Enhanced Multi-scale Image Feature Fusion (EMIFF). To fully exploit holistic perspectives from both vehicles and infrastructure, we propose Multi-scale Cross Attention (MCA) and Camera-aware Channel Masking (CCM) modules to enhance infrastructure and vehicle features at scale, spatial, and channel levels to correct the pose error introduced by camera asynchrony. We also introduce a Feature Compression (FC) module with channel and spatial compression blocks for transmission efficiency. Experiments show that EMIFF achieves SOTA on DAIR-V2X-C datasets, significantly outperforming previous early-fusion and late-fusion methods with comparable transmission costs.

Safe Offline Reinforcement Learning with Feasibility-Guided Diffusion Model

Safe offline RL is a promising way to bypass risky online interactions towards safe policy learning. Most existing methods only enforce soft constraints, i.e., constraining safety violations in expectation below thresholds predetermined. This can lead to potentially unsafe outcomes, thus unacceptable in safety-critical scenarios. An alternative is to enforce the hard constraint of zero violation. However, this can be challenging in offline setting, as it needs to strike the right balance among three highly intricate and correlated aspects: safety constraint satisfaction, reward maximization, and behavior regularization imposed by offline datasets. Interestingly, we discover that via reachability analysis of safe-control theory, the hard safety constraint can be equivalently translated to identifying the largest feasible region given the offline dataset. This seamlessly converts the original trilogy problem to a feasibility-dependent objective, i.e., maximizing reward value within the feasible region while minimizing safety risks in the infeasible region. Inspired by these, we propose FISOR (FeasIbility-guided Safe Offline RL), which allows safety constraint adherence, reward maximization, and offline policy learning to be realized via three decoupled processes, while offering strong safety performance and stability. In FISOR, the optimal policy for the translated optimization problem can be derived in a special form of weighted behavior cloning. Thus, we propose a novel energy-guided diffusion model that does not require training a complicated time-dependent classifier to extract the policy, greatly simplifying the training. We compare FISOR against baselines on DSRL benchmark for safe offline RL. Evaluation results show that FISOR is the only method that can guarantee safety satisfaction in all tasks, while achieving top returns in most tasks.

Idempotence and Perceptual Image Compression

Idempotence is the stability of image codec to re-compression. At the first glance, it is unrelated to perceptual image compression. However, we find that theoretically: 1) Conditional generative model-based perceptual codec satisfies idempotence; 2) Unconditional generative model with idempotence constraint is equivalent to conditional generative codec. Based on this newfound equivalence, we propose a new paradigm of perceptual image codec by inverting unconditional generative model with idempotence constraints. Our codec is theoretically equivalent to conditional generative codec, and it does not require training new models. Instead, it only requires a pre-trained mean-square-error codec and unconditional generative model. Empirically, we show that our proposed approach outperforms state-of-the-art methods such as HiFiC and ILLM, in terms of Fr\'echet Inception Distance (FID). The source code is provided in https://github.com/tongdaxu/Idempotence-and-Perceptual-Image-Compression.

Generative Multimodal Models are In-Context Learners

The human ability to easily solve multimodal tasks in context (i.e., with only a few demonstrations or simple instructions), is what current multimodal systems have largely struggled to imitate. In this work, we demonstrate that the task-agnostic in-context learning capabilities of large multimodal models can be significantly enhanced by effective scaling-up. We introduce Emu2, a generative multimodal model with 37 billion parameters, trained on large-scale multimodal sequences with a unified autoregressive objective. Emu2 exhibits strong multimodal in-context learning abilities, even emerging to solve tasks that require on-the-fly reasoning, such as visual prompting and object-grounded generation. The model sets a new record on multiple multimodal understanding tasks in few-shot settings. When instruction-tuned to follow specific instructions, Emu2 further achieves new state-of-the-art on challenging tasks such as question answering benchmarks for large multimodal models and open-ended subject-driven generation. These achievements demonstrate that Emu2 can serve as a base model and general-purpose interface for a wide range of multimodal tasks. Code and models are publicly available to facilitate future research.

Machine learning's own Industrial Revolution

Machine learning is expected to enable the next Industrial Revolution. However, lacking standardized and automated assembly networks, ML faces significant challenges to meet ever-growing enterprise demands and empower broad industries. In the Perspective, we argue that ML needs to first complete its own Industrial Revolution, elaborate on how to best achieve its goals, and discuss new opportunities to enable rapid translation from ML's innovation frontier to mass production and utilization.

CapsFusion: Rethinking Image-Text Data at Scale

Large multimodal models demonstrate remarkable generalist ability to perform diverse multimodal tasks in a zero-shot manner. Large-scale web-based image-text pairs contribute fundamentally to this success, but suffer from excessive noise. Recent studies use alternative captions synthesized by captioning models and have achieved notable benchmark performance. However, our experiments reveal significant Scalability Deficiency and World Knowledge Loss issues in models trained with synthetic captions, which have been largely obscured by their initial benchmark success. Upon closer examination, we identify the root cause as the overly-simplified language structure and lack of knowledge details in existing synthetic captions. To provide higher-quality and more scalable multimodal pretraining data, we propose CapsFusion, an advanced framework that leverages large language models to consolidate and refine information from both web-based image-text pairs and synthetic captions. Extensive experiments show that CapsFusion captions exhibit remarkable all-round superiority over existing captions in terms of model performance (e.g., 18.8 and 18.3 improvements in CIDEr score on COCO and NoCaps), sample efficiency (requiring 11-16 times less computation than baselines), world knowledge depth, and scalability. These effectiveness, efficiency and scalability advantages position CapsFusion as a promising candidate for future scaling of LMM training.

DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only work with a restricted search library in real-life applications. Recent supervised learning approaches using scoring functions for binding-affinity prediction, although promising, have not yet surpassed docking methods due to their strong dependency on limited data with reliable binding-affinity labels. In this paper, we propose a novel contrastive learning framework, DrugCLIP, by reformulating virtual screening as a dense retrieval task and employing contrastive learning to align representations of binding protein pockets and molecules from a large quantity of pairwise data without explicit binding-affinity scores. We also introduce a biological-knowledge inspired data augmentation strategy to learn better protein-molecule representations. Extensive experiments show that DrugCLIP significantly outperforms traditional docking and supervised learning methods on diverse virtual screening benchmarks with highly reduced computation time, especially in zero-shot setting.