Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current methods usually employ distinct training for each task. However, each of the tasks is of small size, and such a single-task strategy hinders the models' performance and generalization ability. As some labeled 3D protein datasets are biologically related, combining multi-source datasets for larger-scale multi-task learning is one way to overcome this problem. In this paper, we propose a neural network model to address multiple tasks jointly upon the input of 3D protein structures. In particular, we first construct a standard structure-based multi-task benchmark called Protein-MT, consisting of 6 biologically relevant tasks, including affinity prediction and property prediction, integrated from 4 public datasets. Then, we develop a novel graph neural network for multi-task learning, dubbed Heterogeneous Multichannel Equivariant Network (HeMeNet), which is E(3) equivariant and able to capture heterogeneous relationships between different atoms. Besides, HeMeNet can achieve task-specific learning via the task-aware readout mechanism. Extensive evaluations on our benchmark verify the effectiveness of multi-task learning, and our model generally surpasses state-of-the-art models.

The management of modern IT systems poses unique challenges, necessitating scalability, reliability, and efficiency in handling extensive data streams. Traditional methods, reliant on manual tasks and rule-based approaches, prove inefficient for the substantial data volumes and alerts generated by IT systems. Artificial Intelligence for Operating Systems (AIOps) has emerged as a solution, leveraging advanced analytics like machine learning and big data to enhance incident management. AIOps detects and predicts incidents, identifies root causes, and automates healing actions, improving quality and reducing operational costs. However, despite its potential, the AIOps domain is still in its early stages, decentralized across multiple sectors, and lacking standardized conventions. Research and industrial contributions are distributed without consistent frameworks for data management, target problems, implementation details, requirements, and capabilities. This study proposes an AIOps terminology and taxonomy, establishing a structured incident management procedure and providing guidelines for constructing an AIOps framework. The research also categorizes contributions based on criteria such as incident management tasks, application areas, data sources, and technical approaches. The goal is to provide a comprehensive review of technical and research aspects in AIOps for incident management, aiming to structure knowledge, identify gaps, and establish a foundation for future developments in the field.

We study the efficient learnability of low-degree polynomial threshold functions (PTFs) in the presence of a constant fraction of adversarial corruptions. Our main algorithmic result is a polynomial-time PAC learning algorithm for this concept class in the strong contamination model under the Gaussian distribution with error guarantee $O_{d, c}(\text{opt}^{1-c})$, for any desired constant $c>0$, where $\text{opt}$ is the fraction of corruptions. In the strong contamination model, an omniscient adversary can arbitrarily corrupt an $\text{opt}$-fraction of the data points and their labels. This model generalizes the malicious noise model and the adversarial label noise model. Prior to our work, known polynomial-time algorithms in this corruption model (or even in the weaker adversarial label noise model) achieved error $\tilde{O}_d(\text{opt}^{1/(d+1)})$, which deteriorates significantly as a function of the degree $d$. Our algorithm employs an iterative approach inspired by localization techniques previously used in the context of learning linear threshold functions. Specifically, we use a robust perceptron algorithm to compute a good partial classifier and then iterate on the unclassified points. In order to achieve this, we need to take a set defined by a number of polynomial inequalities and partition it into several well-behaved subsets. To this end, we develop new polynomial decomposition techniques that may be of independent interest.

It provides an unprecedented opportunity for concurrently monitoring and integrating multifaceted brain networks built by spatiotemporally covaried metabolic activity, neural activity, and cerebral blood flow (perfusion). Albeit high scientific/clinical values, short in hardware accessibility of PET/MR hinders its applications, let alone modern AI-based PET/MR fusion models. Our objective is to develop a clinically feasible AI-based disease diagnosis model trained on comprehensive sf-PET/MR data with the power of, during inferencing, allowing single modality input (e.g., PET only) as well as enforcing multimodal-based accuracy. To this end, we propose MX-ARM, a multimodal MiXture-of-experts Alignment and Reconstruction Model. It is modality detachable and exchangeable, allocating different multi-layer perceptrons dynamically ("mixture of experts") through learnable weights to learn respective representations from different modalities. Such design will not sacrifice model performance in uni-modal situation. To fully exploit the inherent complex and nonlinear relation among modalities while producing fine-grained representations for uni-modal inference, we subsequently add a modal alignment module to line up a dominant modality (e.g., PET) with representations of auxiliary modalities (MR). We further adopt multimodal reconstruction to promote the quality of learned features.

Accurately estimating the Remaining Useful Life (RUL) of lithium-ion batteries is crucial for maintaining the safe and stable operation of rechargeable battery management systems. However, this task is often challenging due to the complex temporal dynamics involved. Recently, attention-based networks, such as Transformers and Informer, have been the popular architecture in time series forecasting. Despite their effectiveness, these models with abundant parameters necessitate substantial training time to unravel temporal patterns. To tackle these challenges, we propose a simple MLP-Mixer-based architecture named 'Intra-Inter Patch Mixer' (IIP-Mixer), which is an architecture based exclusively on multi-layer perceptrons (MLPs), extracting information by mixing operations along both intra-patch and inter-patch dimensions for battery RUL prediction. The proposed IIP-Mixer comprises parallel dual-head mixer layers: the intra-patch mixing MLP, capturing local temporal patterns in the short-term period, and the inter-patch mixing MLP, capturing global temporal patterns in the long-term period. Notably, to address the varying importance of features in RUL prediction, we introduce a weighted loss function in the MLP-Mixer-based architecture, marking the first time such an approach has been employed. Our experiments demonstrate that IIP-Mixer achieves competitive performance in battery RUL prediction, outperforming other popular time-series frameworks

We explored leveraging state-of-the-art deep learning, big data, and natural language processing to enhance the detection of vulnerable web server versions. Focusing on improving accuracy and specificity over rule-based systems, we conducted experiments by sending various ambiguous and non-standard HTTP requests to 4.77 million domains and capturing HTTP response status lines. We represented these status lines through training a BPE tokenizer and RoBERTa encoder for unsupervised masked language modeling. We then dimensionality reduced and concatenated encoded response lines to represent each domain's web server. A Random Forest and multilayer perceptron (MLP) classified these web servers, and achieved 0.94 and 0.96 macro F1-score, respectively, on detecting the five most popular origin web servers. The MLP achieved a weighted F1-score of 0.55 on classifying 347 major type and minor version pairs. Analysis indicates that our test cases are meaningful discriminants of web server types. Our approach demonstrates promise as a powerful and flexible alternative to rule-based systems.

This paper presents a SYCL implementation of Multi-Layer Perceptrons (MLPs), which targets and is optimized for the Intel Data Center GPU Max 1550. To increase the performance, our implementation minimizes the slow global memory accesses by maximizing the data reuse within the general register file and the shared local memory by fusing the operations in each layer of the MLP. We show with a simple roofline model that this results in a significant increase in the arithmetic intensity, leading to improved performance, especially for inference. We compare our approach to a similar CUDA implementation for MLPs and show that our implementation on the Intel Data Center GPU outperforms the CUDA implementation on Nvidia's H100 GPU by a factor up to 2.84 in inference and 1.75 in training. The paper also showcases the efficiency of our SYCL implementation in three significant areas: Image Compression, Neural Radiance Fields, and Physics-Informed Machine Learning. In all cases, our implementation outperforms the off-the-shelf Intel Extension for PyTorch (IPEX) implementation on the same Intel GPU by up to a factor of 30 and the CUDA PyTorch version on Nvidia's H100 GPU by up to a factor 19. The code can be found at https://github.com/intel/tiny-dpcpp-nn.

Adversarial training is extensively utilized to improve the adversarial robustness of deep neural networks. Yet, mitigating the degradation of standard generalization performance in adversarial-trained models remains an open problem. This paper attempts to resolve this issue through the lens of model complexity. First, We leverage the Fisher-Rao norm, a geometrically invariant metric for model complexity, to establish the non-trivial bounds of the Cross-Entropy Loss-based Rademacher complexity for a ReLU-activated Multi-Layer Perceptron. Then we generalize a complexity-related variable, which is sensitive to the changes in model width and the trade-off factors in adversarial training. Moreover, intensive empirical evidence validates that this variable highly correlates with the generalization gap of Cross-Entropy loss between adversarial-trained and standard-trained models, especially during the initial and final phases of the training process. Building upon this observation, we propose a novel regularization framework, called Logit-Oriented Adversarial Training (LOAT), which can mitigate the trade-off between robustness and accuracy while imposing only a negligible increase in computational overhead. Our extensive experiments demonstrate that the proposed regularization strategy can boost the performance of the prevalent adversarial training algorithms, including PGD-AT, TRADES, TRADES (LSE), MART, and DM-AT, across various network architectures. Our code will be available at https://github.com/TrustAI/LOAT.

Placing applications in mobile edge computing servers presents a complex challenge involving many servers, users, and their requests. Existing algorithms take a long time to solve high-dimensional problems with significant uncertainty scenarios. Therefore, an efficient approach is required to maximize the quality of service while considering all technical constraints. One of these approaches is machine learning, which emulates optimal solutions for application placement in edge servers. Machine learning models are expected to learn how to allocate user requests to servers based on the spatial positions of users and servers. In this study, the problem is formulated as a two-stage stochastic programming. A sufficient amount of training records is generated by varying parameters such as user locations, their request rates, and solving the optimization model. Then, based on the distance features of each user from the available servers and their request rates, machine learning models generate decision variables for the first stage of the stochastic optimization model, which is the user-to-server request allocation, and are employed as independent decision agents that reliably mimic the optimization model. Support Vector Machines (SVM) and Multi-layer Perceptron (MLP) are used in this research to achieve practical decisions from the stochastic optimization models. The performance of each model has shown an execution effectiveness of over 80%. This research aims to provide a more efficient approach for tackling high-dimensional problems and scenarios with uncertainties in mobile edge computing by leveraging machine learning models for optimal decision-making in request allocation to edge servers. These results suggest that machine-learning models can significantly improve solution times compared to conventional approaches.

Deep reinforcement learning has made significant progress in games with imperfect information, but its performance in the card game Doudizhu (Chinese Poker/Fight the Landlord) remains unsatisfactory. Doudizhu is different from conventional games as it involves three players and combines elements of cooperation and confrontation, resulting in a large state and action space. In 2021, a Doudizhu program called DouZero\cite{zha2021douzero} surpassed previous models without prior knowledge by utilizing traditional Monte Carlo methods and multilayer perceptrons. Building on this work, our study incorporates residual networks into the model, explores different architectural designs, and conducts multi-role testing. Our findings demonstrate that this model significantly improves the winning rate within the same training time. Additionally, we introduce a call scoring system to assist the agent in deciding whether to become a landlord. With these enhancements, our model consistently outperforms the existing version of DouZero and even experienced human players. \footnote{The source code is available at \url{https://github.com/Yingchaol/Douzero_Resnet.git.}