ACL-QL: Adaptive Conservative Level in Q-Learning for Offline Reinforcement Learning

Offline Reinforcement Learning (RL), which operates solely on static datasets without further interactions with the environment, provides an appealing alternative to learning a safe and promising control policy. The prevailing methods typically learn a conservative policy to mitigate the problem of Q-value overestimation, but it is prone to overdo it, leading to an overly conservative policy. Moreover, they optimize all samples equally with fixed constraints, lacking the nuanced ability to control conservative levels in a fine-grained manner. Consequently, this limitation results in a performance decline. To address the above two challenges in a united way, we propose a framework, Adaptive Conservative Level in Q-Learning (ACL-QL), which limits the Q-values in a mild range and enables adaptive control on the conservative level over each state-action pair, i.e., lifting the Q-values more for good transitions and less for bad transitions. We theoretically analyze the conditions under which the conservative level of the learned Q-function can be limited in a mild range and how to optimize each transition adaptively. Motivated by the theoretical analysis, we propose a novel algorithm, ACL-QL, which uses two learnable adaptive weight functions to control the conservative level over each transition. Subsequently, we design a monotonicity loss and surrogate losses to train the adaptive weight functions, Q-function, and policy network alternatively. We evaluate ACL-QL on the commonly used D4RL benchmark and conduct extensive ablation studies to illustrate the effectiveness and state-of-the-art performance compared to existing offline DRL baselines.

RoboMIND: Benchmark on Multi-embodiment Intelligence Normative Data for Robot Manipulation

Developing robust and general-purpose robotic manipulation policies is a key goal in the field of robotics. To achieve effective generalization, it is essential to construct comprehensive datasets that encompass a large number of demonstration trajectories and diverse tasks. Unlike vision or language data that can be collected from the Internet, robotic datasets require detailed observations and manipulation actions, necessitating significant investment in hardware-software infrastructure and human labor. While existing works have focused on assembling various individual robot datasets, there remains a lack of a unified data collection standard and insufficient diversity in tasks, scenarios, and robot types. In this paper, we introduce RoboMIND (Multi-embodiment Intelligence Normative Data for Robot manipulation), featuring 55k real-world demonstration trajectories across 279 diverse tasks involving 61 different object classes. RoboMIND is collected through human teleoperation and encompasses comprehensive robotic-related information, including multi-view RGB-D images, proprioceptive robot state information, end effector details, and linguistic task descriptions. To ensure dataset consistency and reliability during policy learning, RoboMIND is built on a unified data collection platform and standardized protocol, covering four distinct robotic embodiments. We provide a thorough quantitative and qualitative analysis of RoboMIND across multiple dimensions, offering detailed insights into the diversity of our datasets. In our experiments, we conduct extensive real-world testing with four state-of-the-art imitation learning methods, demonstrating that training with RoboMIND data results in a high manipulation success rate and strong generalization. Our project is at https://x-humanoid-robomind.github.io/.

Code generation and runtime techniques for enabling data-efficient deep learning training on GPUs

As deep learning models scale, their training cost has surged significantly. Due to both hardware advancements and limitations in current software stacks, the need for data efficiency has risen. Data efficiency refers to the effective hiding of data access latency and the avoidance of unnecessary data movements. Major challenges arise from the growing disparity between GPU memory bandwidth and computational throughput, imminent GPU memory capacity limitations, and inefficiencies in the PyTorch software stack, including a lack of device-specific PCIe transfer optimizations and high-level domain-specific abstractions. To effectively mitigate these data inefficiencies for deep learning training, this dissertation analyzes data inefficiency in representative deep training tasks, specifically in graph neural networks (GNNs) and large language models (LLMs). It then proposes novel runtime and code generation techniques to mitigate these challenges and implements these optimizations seamlessly within the PyTorch stack while maintaining strong programmability and interoperability. First, PyTorch-Direct is devised to incorporate the GPU-centric PCIe data transfer paradigm in PyTorch for GNN training. Next, Hector intermediate representation (IR) and its code generator are proposed to introduce domain-specific high-level abstraction and systematically address memory-intensive performance challenges for relational GNNs. Finally, in LLM training, the throughput has been increasingly constrained by GPU memory capacity. To mitigate this, the SSDTrain offloading framework is designed and implemented. Together, these contributions show that code generation and runtime techniques can systematically mitigate the data management bottlenecks in deep learning training, which stem from the data-intensive nature of workloads and the oversimplification inherent in the deep learning training software stack.

Discrete Policy: Learning Disentangled Action Space for Multi-Task Robotic Manipulation

Learning visuomotor policy for multi-task robotic manipulation has been a long-standing challenge for the robotics community. The difficulty lies in the diversity of action space: typically, a goal can be accomplished in multiple ways, resulting in a multimodal action distribution for a single task. The complexity of action distribution escalates as the number of tasks increases. In this work, we propose \textbf{Discrete Policy}, a robot learning method for training universal agents capable of multi-task manipulation skills. Discrete Policy employs vector quantization to map action sequences into a discrete latent space, facilitating the learning of task-specific codes. These codes are then reconstructed into the action space conditioned on observations and language instruction. We evaluate our method on both simulation and multiple real-world embodiments, including both single-arm and bimanual robot settings. We demonstrate that our proposed Discrete Policy outperforms a well-established Diffusion Policy baseline and many state-of-the-art approaches, including ACT, Octo, and OpenVLA. For example, in a real-world multi-task training setting with five tasks, Discrete Policy achieves an average success rate that is 26\% higher than Diffusion Policy and 15\% higher than OpenVLA. As the number of tasks increases to 12, the performance gap between Discrete Policy and Diffusion Policy widens to 32.5\%, further showcasing the advantages of our approach. Our work empirically demonstrates that learning multi-task policies within the latent space is a vital step toward achieving general-purpose agents.

TBA: Faster Large Language Model Training Using SSD-Based Activation Offloading

The growth rate of the GPU memory capacity has not been able to keep up with that of the size of large language models (LLMs), hindering the model training process. In particular, activations -- the intermediate tensors produced during forward propagation and reused in backward propagation -- dominate the GPU memory use. To address this challenge, we propose TBA to efficiently offload activations to high-capacity NVMe SSDs. This approach reduces GPU memory usage without impacting performance by adaptively overlapping data transfers with computation. TBA is compatible with popular deep learning frameworks like PyTorch, Megatron, and DeepSpeed, and it employs techniques such as tensor deduplication, forwarding, and adaptive offloading to further enhance efficiency. We conduct extensive experiments on GPT, BERT, and T5. Results demonstrate that TBA effectively reduces 47% of the activation peak memory usage. At the same time, TBA perfectly overlaps the I/O with the computation and incurs negligible performance overhead. We introduce the recompute-offload-keep (ROK) curve to compare the TBA offloading with other two tensor placement strategies, keeping activations in memory and layerwise full recomputation. We find that TBA achieves better memory savings than layerwise full recomputation while retaining the performance of keeping the activations in memory.

LSM-GNN: Large-scale Storage-based Multi-GPU GNN Training by Optimizing Data Transfer Scheme

Graph Neural Networks (GNNs) are widely used today in recommendation systems, fraud detection, and node/link classification tasks. Real world GNNs continue to scale in size and require a large memory footprint for storing graphs and embeddings that often exceed the memory capacities of the target GPUs used for training. To address limited memory capacities, traditional GNN training approaches use graph partitioning and sharding techniques to scale up across multiple GPUs within a node and/or scale out across multiple nodes. However, this approach suffers from the high computational costs of graph partitioning algorithms and inefficient communication across GPUs. To address these overheads, we propose Large-scale Storage-based Multi-GPU GNN framework (LSM-GNN), a storagebased approach to train GNN models that utilizes a novel communication layer enabling GPU software caches to function as a system-wide shared cache with low overheads.LSM-GNN incorporates a hybrid eviction policy that intelligently manages cache space by using both static and dynamic node information to significantly enhance cache performance. Furthermore, we introduce the Preemptive Victim-buffer Prefetcher (PVP), a mechanism for prefetching node feature data from a Victim Buffer located in CPU pinned-memory to further reduce the pressure on the storage devices. Experimental results show that despite the lower compute capabilities and memory capacities, LSM-GNN in a single node with two GPUs offers superior performance over two-node-four-GPU Dist-DGL baseline and provides up to 3.75x speed up on end-to-end epoch time while running large-scale GNN training

Lifelong Histopathology Whole Slide Image Retrieval via Distance Consistency Rehearsal

Content-based histopathological image retrieval (CBHIR) has gained attention in recent years, offering the capability to return histopathology images that are content-wise similar to the query one from an established database. However, in clinical practice, the continuously expanding size of WSI databases limits the practical application of the current CBHIR methods. In this paper, we propose a Lifelong Whole Slide Retrieval (LWSR) framework to address the challenges of catastrophic forgetting by progressive model updating on continuously growing retrieval database. Our framework aims to achieve the balance between stability and plasticity during continuous learning. To preserve system plasticity, we utilize local memory bank with reservoir sampling method to save instances, which can comprehensively encompass the feature spaces of both old and new tasks. Furthermore, A distance consistency rehearsal (DCR) module is designed to ensure the retrieval queue's consistency for previous tasks, which is regarded as stability within a lifelong CBHIR system. We evaluated the proposed method on four public WSI datasets from TCGA projects. The experimental results have demonstrated the proposed method is effective and is superior to the state-of-the-art methods.

Pan-cancer Histopathology WSI Pre-training with Position-aware Masked Autoencoder

Large-scale pre-training models have promoted the development of histopathology image analysis. However, existing self-supervised methods for histopathology images focus on learning patch features, while there is still a lack of available pre-training models for WSI-level feature learning. In this paper, we propose a novel self-supervised learning framework for pan-cancer WSI-level representation pre-training with the designed position-aware masked autoencoder (PAMA). Meanwhile, we propose the position-aware cross-attention (PACA) module with a kernel reorientation (KRO) strategy and an anchor dropout (AD) mechanism. The KRO strategy can capture the complete semantic structure and eliminate ambiguity in WSIs, and the AD contributes to enhancing the robustness and generalization of the model. We evaluated our method on 6 large-scale datasets from multiple organs for pan-cancer classification tasks. The results have demonstrated the effectiveness of PAMA in generalized and discriminative WSI representation learning and pan-cancer WSI pre-training. The proposed method was also compared with \R{7} WSI analysis methods. The experimental results have indicated that our proposed PAMA is superior to the state-of-the-art methods.The code and checkpoints are available at https://github.com/WkEEn/PAMA.

TransMA: an explainable multi-modal deep learning model for predicting properties of ionizable lipid nanoparticles in mRNA delivery

As the primary mRNA delivery vehicles, ionizable lipid nanoparticles (LNPs) exhibit excellent safety, high transfection efficiency, and strong immune response induction. However, the screening process for LNPs is time-consuming and costly. To expedite the identification of high-transfection-efficiency mRNA drug delivery systems, we propose an explainable LNPs transfection efficiency prediction model, called TransMA. TransMA employs a multi-modal molecular structure fusion architecture, wherein the fine-grained atomic spatial relationship extractor named molecule 3D Transformer captures three-dimensional spatial features of the molecule, and the coarse-grained atomic sequence extractor named molecule Mamba captures one-dimensional molecular features. We design the mol-attention mechanism block, enabling it to align coarse and fine-grained atomic features and captures relationships between atomic spatial and sequential structures. TransMA achieves state-of-the-art performance in predicting transfection efficiency using the scaffold and cliff data splitting methods on the current largest LNPs dataset, including Hela and RAW cell lines. Moreover, we find that TransMA captures the relationship between subtle structural changes and significant transfection efficiency variations, providing valuable insights for LNPs design. Additionally, TransMA's predictions on external transfection efficiency data maintain a consistent order with actual transfection efficiencies, demonstrating its robust generalization capability. The code, model and data are made publicly available at https://github.com/wklix/TransMA/tree/master. We hope that high-accuracy transfection prediction models in the future can aid in LNPs design and initial screening, thereby assisting in accelerating the mRNA design process.

Unsupervised Domain Adaptation for Brain Vessel Segmentation through Transwarp Contrastive Learning

Unsupervised domain adaptation (UDA) aims to align the labelled source distribution with the unlabelled target distribution to obtain domain-invariant predictive models. Since cross-modality medical data exhibit significant intra and inter-domain shifts and most are unlabelled, UDA is more important while challenging in medical image analysis. This paper proposes a simple yet potent contrastive learning framework for UDA to narrow the inter-domain gap between labelled source and unlabelled target distribution. Our method is validated on cerebral vessel datasets. Experimental results show that our approach can learn latent features from labelled 3DRA modality data and improve vessel segmentation performance in unlabelled MRA modality data.