One-Step Late Fusion Multi-view Clustering with Compressed Subspace

Late fusion multi-view clustering (LFMVC) has become a rapidly growing class of methods in the multi-view clustering (MVC) field, owing to its excellent computational speed and clustering performance. One bottleneck faced by existing late fusion methods is that they are usually aligned to the average kernel function, which makes the clustering performance highly dependent on the quality of datasets. Another problem is that they require subsequent k-means clustering after obtaining the consensus partition matrix to get the final discrete labels, and the resulting separation of the label learning and cluster structure optimization processes limits the integrity of these models. To address the above issues, we propose an integrated framework named One-Step Late Fusion Multi-view Clustering with Compressed Subspace (OS-LFMVC-CS). Specifically, we use the consensus subspace to align the partition matrix while optimizing the partition fusion, and utilize the fused partition matrix to guide the learning of discrete labels. A six-step iterative optimization approach with verified convergence is proposed. Sufficient experiments on multiple datasets validate the effectiveness and efficiency of our proposed method.

A Neuro-Inspired Hierarchical Reinforcement Learning for Motor Control

Designing controllers to achieve natural motion capabilities for multi-joint robots is a significant challenge. However, animals in nature are naturally with basic motor abilities and can master various complex motor skills through acquired learning. On the basis of analyzing the mechanism of the central motor system in mammals, we propose a neuro-inspired hierarchical reinforcement learning algorithm that enables robots to learn rich motor skills and apply them to complex task environments without relying on external data. We first design a skills network similar to the cerebellum by utilizing the selection mechanism of voluntary movements in the basal ganglia and the regulatory ability of the cerebellum to regulate movement. Subsequently, by imitating the structure of advanced centers in the motion system, we propose a high-level policy to generate different skill combinations, thereby enabling the robot to acquire natural motor abilities. We conduct experiments on 4 types of robots and 22 task environments, and the results show that the proposed method can enable different types of robots to achieve flexible motion skills. Overall, our research provides a promising framework for the design of robotic neural motor controllers.

Transferring a molecular foundation model for polymer property predictions

Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and materials discovery. Self-supervised pretraining of transformer models requires large-scale datasets, which are often sparsely populated in topical areas such as polymer science. State-of-the-art approaches for polymers conduct data augmentation to generate additional samples but unavoidably incurs extra computational costs. In contrast, large-scale open-source datasets are available for small molecules and provide a potential solution to data scarcity through transfer learning. In this work, we show that using transformers pretrained on small molecules and fine-tuned on polymer properties achieve comparable accuracy to those trained on augmented polymer datasets for a series of benchmark prediction tasks.

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

Anchor-based Multi-view Subspace Clustering with Hierarchical Feature Descent

Multi-view clustering has attracted growing attention owing to its capabilities of aggregating information from various sources and its promising horizons in public affairs. Up till now, many advanced approaches have been proposed in recent literature. However, there are several ongoing difficulties to be tackled. One common dilemma occurs while attempting to align the features of different views. We dig out as well as deploy the dependency amongst views through hierarchical feature descent, which leads to a common latent space( STAGE 1). This latent space, for the first time of its kind, is regarded as a 'resemblance space', as it reveals certain correlations and dependencies of different views. To be exact, the one-hot encoding of a category can also be referred to as a resemblance space in its terminal phase. Moreover, due to the intrinsic fact that most of the existing multi-view clustering algorithms stem from k-means clustering and spectral clustering, this results in cubic time complexity w.r.t. the number of the objects. However, we propose Anchor-based Multi-view Subspace Clustering with Hierarchical Feature Descent(MVSC-HFD) to further reduce the computing complexity to linear time cost through a unified sampling strategy in resemblance space( STAGE 2), followed by subspace clustering to learn the representation collectively( STAGE 3). Extensive experimental results on public benchmark datasets demonstrate that our proposed model consistently outperforms the state-of-the-art techniques.

Normality Learning-based Graph Anomaly Detection via Multi-Scale Contrastive Learning

Graph anomaly detection (GAD) has attracted increasing attention in machine learning and data mining. Recent works have mainly focused on how to capture richer information to improve the quality of node embeddings for GAD. Despite their significant advances in detection performance, there is still a relative dearth of research on the properties of the task. GAD aims to discern the anomalies that deviate from most nodes. However, the model is prone to learn the pattern of normal samples which make up the majority of samples. Meanwhile, anomalies can be easily detected when their behaviors differ from normality. Therefore, the performance can be further improved by enhancing the ability to learn the normal pattern. To this end, we propose a normality learning-based GAD framework via multi-scale contrastive learning networks (NLGAD for abbreviation). Specifically, we first initialize the model with the contrastive networks on different scales. To provide sufficient and reliable normal nodes for normality learning, we design an effective hybrid strategy for normality selection. Finally, the model is refined with the only input of reliable normal nodes and learns a more accurate estimate of normality so that anomalous nodes can be more easily distinguished. Eventually, extensive experiments on six benchmark graph datasets demonstrate the effectiveness of our normality learning-based scheme on GAD. Notably, the proposed algorithm improves the detection performance (up to 5.89% AUC gain) compared with the state-of-the-art methods. The source code is released at https://github.com/FelixDJC/NLGAD.

Neuromorphic Imaging with Joint Image Deblurring and Event Denoising

Neuromorphic imaging reacts to per-pixel brightness changes of a dynamic scene with high temporal precision and responds with asynchronous streaming events as a result. It also often supports a simultaneous output of an intensity image. Nevertheless, the raw events typically involve a great amount of noise due to the high sensitivity of the sensor, while capturing fast-moving objects at low frame rates results in blurry images. These deficiencies significantly degrade human observation and machine processing. Fortunately, the two information sources are inherently complementary -- events with microsecond temporal resolution, which are triggered by the edges of objects that are recorded in latent sharp images, can supply rich motion details missing from the blurry images. In this work, we bring the two types of data together and propose a simple yet effective unifying algorithm to jointly reconstruct blur-free images and noise-robust events, where an event-regularized prior offers auxiliary motion features for blind deblurring, and image gradients serve as a reference to regulate neuromorphic noise removal. Extensive evaluations on real and synthetic samples present our superiority over other competing methods in restoration quality and greater robustness to some challenging realistic scenarios. Our solution gives impetus to the improvement of both sensing data and paves the way for highly accurate neuromorphic reasoning and analysis.

Neuromorphic Imaging and Classification with Graph Learning

Bio-inspired neuromorphic cameras asynchronously record pixel brightness changes and generate sparse event streams. They can capture dynamic scenes with little motion blur and more details in extreme illumination conditions. Due to the multidimensional address-event structure, most existing vision algorithms cannot properly handle asynchronous event streams. While several event representations and processing methods have been developed to address such an issue, they are typically driven by a large number of events, leading to substantial overheads in runtime and memory. In this paper, we propose a new graph representation of the event data and couple it with a Graph Transformer to perform accurate neuromorphic classification. Extensive experiments show that our approach leads to better results and excels at the challenging realistic situations where only a small number of events and limited computational resources are available, paving the way for neuromorphic applications embedded into mobile facilities.

Efficient Multi-View Graph Clustering with Local and Global Structure Preservation

Anchor-based multi-view graph clustering (AMVGC) has received abundant attention owing to its high efficiency and the capability to capture complementary structural information across multiple views. Intuitively, a high-quality anchor graph plays an essential role in the success of AMVGC. However, the existing AMVGC methods only consider single-structure information, i.e., local or global structure, which provides insufficient information for the learning task. To be specific, the over-scattered global structure leads to learned anchors failing to depict the cluster partition well. In contrast, the local structure with an improper similarity measure results in potentially inaccurate anchor assignment, ultimately leading to sub-optimal clustering performance. To tackle the issue, we propose a novel anchor-based multi-view graph clustering framework termed Efficient Multi-View Graph Clustering with Local and Global Structure Preservation (EMVGC-LG). Specifically, a unified framework with a theoretical guarantee is designed to capture local and global information. Besides, EMVGC-LG jointly optimizes anchor construction and graph learning to enhance the clustering quality. In addition, EMVGC-LG inherits the linear complexity of existing AMVGC methods respecting the sample number, which is time-economical and scales well with the data size. Extensive experiments demonstrate the effectiveness and efficiency of our proposed method.