S1.1 WebVision1k It contains 2.4M web images collected from Google and Flickr, which share the same 1k category names with ImageNet1k [1]. For each example, we use all available description, title, and tag in its metadata for raw text preparation. Besides, we follow [2, 3] to use the subset of WebVision-Google500 for ablation studies in consideration of lower GPU resource and time consumption without losing generalization. It contains 0.48M images from Google with randomly chosen 500 categories. The testing set of ImageNet1k and its subset ImageNet500 are involved as well for evaluation. S1.2 NUS-WIDE (Web) It contains 0.26M web images from Flickr with 5k unique user tags. Each example is manually annotated with multiple labels within 81 concepts that are filtered out of the 5k tags.

This paper considers the problem of inferring the behaviors of multiple interacting experts by estimating their reward functions and constraints where the distributed demonstrated trajectories are sequentially revealed to a group of learners. We formulate the problem as a distributed online bi-level optimization problem where the outer-level problem is to estimate the reward functions and the inner-level problem is to learn the constraints and corresponding policies. We propose a novel "multi-agent behavior inference from distributed and streaming demonstrations" (MA-BIRDS) algorithm that allows the learners to solve the outer-level and innerlevel problems in a single loop through intermittent communications.

We introduce IMP-MARL, an open-source suite of multi-agent reinforcement learning (MARL) environments for large-scale Infrastructure Management Planning (IMP), offering a platform for benchmarking the scalability of cooperative MARL methods in real-world engineering applications. In IMP, a multi-component engineering system is subject to a risk of failure due to its components' damage condition. Specifically, each agent plans inspections and repairs for a specific system component, aiming to minimise maintenance costs while cooperating to minimise system failure risk. With IMP-MARL, we release several environments including one related to offshore wind structural systems, in an effort to meet today's needs to improve management strategies to support sustainable and reliable energy systems. Supported by IMP practical engineering environments featuring up to 100 agents, we conduct a benchmark campaign, where the scalability and performance of state-of-the-art cooperative MARL methods are compared against expert-based heuristic policies. The results reveal that centralised training with decentralised execution methods scale better with the number of agents than fully centralised or decentralised RL approaches, while also outperforming expert-based heuristic policies in most IMP environments. Based on our findings, we additionally outline remaining cooperation and scalability challenges that future MARL methods should still address. Through IMP-MARL, we encourage the implementation of new environments and the further development of MARL methods.

The knowledge of protein interactions is crucial but challenging for drug discovery applications. This work focuses on protein interface prediction, which aims to determine whether a pair of residues from different proteins interact. Existing data-driven methods have made significant progress in effectively learning protein structures. Nevertheless, they overlook the conformational changes (i.e., flexibility) within proteins upon binding, leading to poor generalization ability. In this paper, we regard the protein flexibility as an attack on the trained model and aim to defend against it for improved generalization. To fulfill this purpose, we propose ATProt, an adversarial training framework for protein representations to robustly defend against the attack of protein flexibility. ATProt can theoretically guarantee protein representation stability under complicated protein flexibility. Experiments on various benchmarks demonstrate that ATProt consistently improves the performance for protein interface prediction. Moreover, our method demonstrates broad applicability, performing the best even when provided with testing structures from structure prediction models like ESMFold and AlphaFold2.

Figure 7: 3D Shapes Modify object color from source value to target value.

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches.

Deep learning has seen remarkable advancements in machine learning, yet it often demands extensive annotated data. Tasks like 3D semantic segmentation impose a substantial annotation burden, especially in domains like medicine, where expert annotations drive up the cost. Active learning (AL) holds great potential to alleviate this annotation burden in 3D medical segmentation. The majority of existing AL methods, however, are not tailored to the medical domain. While weakly-supervised methods have been explored to reduce annotation burden, the fusion of AL with weak supervision remains unexplored, despite its potential to significantly reduce annotation costs.