Ning Liu

Hongzuo Xu, Yijie Wang, Guansong Pang et al.

Semi-supervised anomaly detection methods leverage a few anomaly examples to yield drastically improved performance compared to unsupervised models. However, they still suffer from two limitations: 1) unlabeled anomalies (i.e., anomaly contamination) may mislead the learning process when all the unlabeled data are employed as inliers for model training; 2) only discrete supervision information (such as binary or ordinal data labels) is exploited, which leads to suboptimal learning of anomaly scores that essentially take on a continuous distribution. Therefore, this paper proposes a novel semi-supervised anomaly detection method, which devises \textit{contamination-resilient continuous supervisory signals}. Specifically, we propose a mass interpolation method to diffuse the abnormality of labeled anomalies, thereby creating new data samples labeled with continuous abnormal degrees. Meanwhile, the contaminated area can be covered by new data samples generated via combinations of data with correct labels. A feature learning-based objective is added to serve as an optimization constraint to regularize the network and further enhance the robustness w.r.t. anomaly contamination. Extensive experiments on 11 real-world datasets show that our approach significantly outperforms state-of-the-art competitors by 20%-30% in AUC-PR and obtains more robust and superior performance in settings with different anomaly contamination levels and varying numbers of labeled anomalies. The source code is available at https://github.com/xuhongzuo/rosas/.

Ning Liu, Siavash Jafarzadeh, Yue Yu

Fourier neural operators (FNOs) can learn highly nonlinear mappings between function spaces, and have recently become a popular tool for learning responses of complex physical systems. However, to achieve good accuracy and efficiency, FNOs rely on the Fast Fourier transform (FFT), which is restricted to modeling problems on rectangular domains. To lift such a restriction and permit FFT on irregular geometries as well as topology changes, we introduce domain agnostic Fourier neural operator (DAFNO), a novel neural operator architecture for learning surrogates with irregular geometries and evolving domains. The key idea is to incorporate a smoothed characteristic function in the integral layer architecture of FNOs, and leverage FFT to achieve rapid computations, in such a way that the geometric information is explicitly encoded in the architecture. In our empirical evaluation, DAFNO has achieved state-of-the-art accuracy as compared to baseline neural operator models on two benchmark datasets of material modeling and airfoil simulation. To further demonstrate the capability and generalizability of DAFNO in handling complex domains with topology changes, we consider a brittle material fracture evolution problem. With only one training crack simulation sample, DAFNO has achieved generalizability to unseen loading scenarios and substantially different crack patterns from the trained scenario. Our code and data accompanying this paper are available at https://github.com/ningliu-iga/DAFNO.

Yu Fan, Zicheng Zhang, Wei Sun et al.

Point cloud is one of the most widely used digital formats of 3D models, the visual quality of which is quite sensitive to distortions such as downsampling, noise, and compression. To tackle the challenge of point cloud quality assessment (PCQA) in scenarios where reference is not available, we propose a no-reference quality assessment metric for colored point cloud based on captured video sequences. Specifically, three video sequences are obtained by rotating the camera around the point cloud through three specific orbits. The video sequences not only contain the static views but also include the multi-frame temporal information, which greatly helps understand the human perception of the point clouds. Then we modify the ResNet3D as the feature extraction model to learn the correlation between the capture videos and corresponding subjective quality scores. The experimental results show that our method outperforms most of the state-of-the-art full-reference and no-reference PCQA metrics, which validates the effectiveness of the proposed method.

Jiabang He, Yi Hu, Lei Wang et al.

Numerous pre-training techniques for visual document understanding (VDU) have recently shown substantial improvements in performance across a wide range of document tasks. However, these pre-trained VDU models cannot guarantee continued success when the distribution of test data differs from the distribution of training data. In this paper, to investigate how robust existing pre-trained VDU models are to various distribution shifts, we first develop an out-of-distribution (OOD) benchmark termed Do-GOOD for the fine-Grained analysis on Document image-related tasks specifically. The Do-GOOD benchmark defines the underlying mechanisms that result in different distribution shifts and contains 9 OOD datasets covering 3 VDU related tasks, e.g., document information extraction, classification and question answering. We then evaluate the robustness and perform a fine-grained analysis of 5 latest VDU pre-trained models and 2 typical OOD generalization algorithms on these OOD datasets. Results from the experiments demonstrate that there is a significant performance gap between the in-distribution (ID) and OOD settings for document images, and that fine-grained analysis of distribution shifts can reveal the brittle nature of existing pre-trained VDU models and OOD generalization algorithms. The code and datasets for our Do-GOOD benchmark can be found at https://github.com/MAEHCM/Do-GOOD.

Ning Liu, Yue Yu, Huaiqian You et al.

Neural operators, which emerge as implicit solution operators of hidden governing equations, have recently become popular tools for learning responses of complex real-world physical systems. Nevertheless, the majority of neural operator applications has thus far been data-driven, which neglects the intrinsic preservation of fundamental physical laws in data. In this paper, we introduce a novel integral neural operator architecture, to learn physical models with fundamental conservation laws automatically guaranteed. In particular, by replacing the frame-dependent position information with its invariant counterpart in the kernel space, the proposed neural operator is by design translation- and rotation-invariant, and consequently abides by the conservation laws of linear and angular momentums. As applications, we demonstrate the expressivity and efficacy of our model in learning complex material behaviors from both synthetic and experimental datasets, and show that, by automatically satisfying these essential physical laws, our learned neural operator is not only generalizable in handling translated and rotated datasets, but also achieves state-of-the-art accuracy and efficiency as compared to baseline neural operator models.

Mingze Wei, Yaomin Huang, Zhiyuan Xu et al.

In this paper, we propose a novel representation for grasping using contacts between multi-finger robotic hands and objects to be manipulated. This representation significantly reduces the prediction dimensions and accelerates the learning process. We present an effective end-to-end network, CMG-Net, for grasping unknown objects in a cluttered environment by efficiently predicting multi-finger grasp poses and hand configurations from a single-shot point cloud. Moreover, we create a synthetic grasp dataset that consists of five thousand cluttered scenes, 80 object categories, and 20 million annotations. We perform a comprehensive empirical study and demonstrate the effectiveness of our grasping representation and CMG-Net. Our work significantly outperforms the state-of-the-art for three-finger robotic hands. We also demonstrate that the model trained using synthetic data performs very well for real robots.

Yue Yu, Ning Liu, Fei Lu et al.

Despite the recent popularity of attention-based neural architectures in core AI fields like natural language processing (NLP) and computer vision (CV), their potential in modeling complex physical systems remains under-explored. Learning problems in physical systems are often characterized as discovering operators that map between function spaces based on a few instances of function pairs. This task frequently presents a severely ill-posed PDE inverse problem. In this work, we propose a novel neural operator architecture based on the attention mechanism, which we coin Nonlocal Attention Operator (NAO), and explore its capability towards developing a foundation physical model. In particular, we show that the attention mechanism is equivalent to a double integral operator that enables nonlocal interactions among spatial tokens, with a data-dependent kernel characterizing the inverse mapping from data to the hidden parameter field of the underlying operator. As such, the attention mechanism extracts global prior information from training data generated by multiple systems, and suggests the exploratory space in the form of a nonlinear kernel map. Consequently, NAO can address ill-posedness and rank deficiency in inverse PDE problems by encoding regularization and achieving generalizability. We empirically demonstrate the advantages of NAO over baseline neural models in terms of generalizability to unseen data resolutions and system states. Our work not only suggests a novel neural operator architecture for learning interpretable foundation models of physical systems, but also offers a new perspective towards understanding the attention mechanism.

Lichen Jia, Bowen Tang, Chenggang Wu et al.

The binary code similarity detection (BCSD) method measures the similarity of two binary executable codes. Recently, the learning-based BCSD methods have achieved great success, outperforming traditional BCSD in detection accuracy and efficiency. However, the existing studies are rather sparse on the adversarial vulnerability of the learning-based BCSD methods, which cause hazards in security-related applications. To evaluate the adversarial robustness, this paper designs an efficient and black-box adversarial code generation algorithm, namely, FuncFooler. FuncFooler constrains the adversarial codes 1) to keep unchanged the program's control flow graph (CFG), and 2) to preserve the same semantic meaning. Specifically, FuncFooler consecutively 1) determines vulnerable candidates in the malicious code, 2) chooses and inserts the adversarial instructions from the benign code, and 3) corrects the semantic side effect of the adversarial code to meet the constraints. Empirically, our FuncFooler can successfully attack the three learning-based BCSD models, including SAFE, Asm2Vec, and jTrans, which calls into question whether the learning-based BCSD is desirable.

Ning Liu, Benjamin Grimmer

We consider feasibility and constrained optimization problems defined over smooth and/or strongly convex sets. These notions mirror their popular function counterparts but are much less explored in the first-order optimization literature. We propose new scalable, projection-free, accelerated first-order methods in these settings. Our methods avoid linear optimization or projection oracles, only using cheap one-dimensional linesearches and normal vector computations. Despite this, we derive optimal accelerated convergence guarantees of $O(1/T)$ for strongly convex problems, $O(1/T^2)$ for smooth problems, and accelerated linear convergence given both. Our algorithms and analysis are based on novel characterizations of the Minkowski gauge of smooth and/or strongly convex sets, which may be of independent interest: although the gauge is neither smooth nor strongly convex, we show the gauge squared inherits any structure present in the set.

Wenzhuo Zheng, Junhao Zhao, Xiaohong Liu et al.

At present, face 3D reconstruction has broad application prospects in various fields, but the research on it is still in the development stage. In this paper, we hope to achieve better face 3D reconstruction quality by combining multi-view training framework with face parametric model Flame, propose a multi-view training and testing model MFNet (Multi-view Flame Network). We build a self-supervised training framework and implement constraints such as multi-view optical flow loss function and face landmark loss, and finally obtain a complete MFNet. We propose innovative implementations of multi-view optical flow loss and the covisible mask. We test our model on AFLW and facescape datasets and also take pictures of our faces to reconstruct 3D faces while simulating actual scenarios as much as possible, which achieves good results. Our work mainly addresses the problem of combining parametric models of faces with multi-view face 3D reconstruction and explores the implementation of a Flame based multi-view training and testing framework for contributing to the field of face 3D reconstruction.

Dingyi Rong, Wenzhuo Zheng, Bozitao Zhong et al.

Accurate prediction of enzyme function is crucial for elucidating biological mechanisms and driving innovation across various sectors. Existing deep learning methods tend to rely solely on either sequence data or structural data and predict the EC number as a whole, neglecting the intrinsic hierarchical structure of EC numbers. To address these limitations, we introduce MAPred, a novel multi-modality and multi-scale model designed to autoregressively predict the EC number of proteins. MAPred integrates both the primary amino acid sequence and the 3D tokens of proteins, employing a dual-pathway approach to capture comprehensive protein characteristics and essential local functional sites. Additionally, MAPred utilizes an autoregressive prediction network to sequentially predict the digits of the EC number, leveraging the hierarchical organization of EC classifications. Evaluations on benchmark datasets, including New-392, Price, and New-815, demonstrate that our method outperforms existing models, marking a significant advance in the reliability and granularity of protein function prediction within bioinformatics.

Jinming Li, Yichen Zhu, Zhiyuan Xu et al.

It is fundamentally challenging for robots to serve as useful assistants in human environments because this requires addressing a spectrum of sub-problems across robotics, including perception, language understanding, reasoning, and planning. The recent advancements in Multimodal Large Language Models (MLLMs) have demonstrated their exceptional abilities in solving complex mathematical problems, mastering commonsense and abstract reasoning. This has led to the recent utilization of MLLMs as the brain in robotic systems, enabling these models to conduct high-level planning prior to triggering low-level control actions for task execution. However, it remains uncertain whether existing MLLMs are reliable in serving the brain role of robots. In this study, we introduce the first benchmark for evaluating Multimodal LLM for Robotic (MMRo) benchmark, which tests the capability of MLLMs for robot applications. Specifically, we identify four essential capabilities perception, task planning, visual reasoning, and safety measurement that MLLMs must possess to qualify as the robot's central processing unit. We have developed several scenarios for each capability, resulting in a total of 14 metrics for evaluation. We present experimental results for various MLLMs, including both commercial and open-source models, to assess the performance of existing systems. Our findings indicate that no single model excels in all areas, suggesting that current MLLMs are not yet trustworthy enough to serve as the cognitive core for robots. Our data can be found in https://mm-robobench.github.io/.

Siavash Jafarzadeh, Stewart Silling, Ning Liu et al.

Neural operators, which can act as implicit solution operators of hidden governing equations, have recently become popular tools for learning the responses of complex real-world physical systems. Nevertheless, most neural operator applications have thus far been data-driven and neglect the intrinsic preservation of fundamental physical laws in data. In this work, we introduce a novel integral neural operator architecture called the Peridynamic Neural Operator (PNO) that learns a nonlocal constitutive law from data. This neural operator provides a forward model in the form of state-based peridynamics, with objectivity and momentum balance laws automatically guaranteed. As applications, we demonstrate the expressivity and efficacy of our model in learning complex material behaviors from both synthetic and experimental data sets. We show that, owing to its ability to capture complex responses, our learned neural operator achieves improved accuracy and efficiency compared to baseline models that use predefined constitutive laws. Moreover, by preserving the essential physical laws within the neural network architecture, the PNO is robust in treating noisy data. The method shows generalizability to different domain configurations, external loadings, and discretizations.

Ning Liu, Xuxiao Li, Manoj R. Rajanna et al.

A digital twin (DT), with the components of a physics-based model, a data-driven model, and a machine learning (ML) enabled efficient surrogate, behaves as a virtual twin of the real-world physical process. In terms of Laser Powder Bed Fusion (L-PBF) based additive manufacturing (AM), a DT can predict the current and future states of the melt pool and the resulting defects corresponding to the input laser parameters, evolve itself by assimilating in-situ sensor data, and optimize the laser parameters to mitigate defect formation. In this paper, we present a deep neural operator enabled computational framework of the DT for closed-loop feedback control of the L-PBF process. This is accomplished by building a high-fidelity computational model to accurately represent the melt pool states, an efficient surrogate model to approximate the melt pool solution field, followed by an physics-based procedure to extract information from the computed melt pool simulation that can further be correlated to the defect quantities of interest (e.g., surface roughness). In particular, we leverage the data generated from the high-fidelity physics-based model and train a series of Fourier neural operator (FNO) based ML models to effectively learn the relation between the input laser parameters and the corresponding full temperature field of the melt pool. Subsequently, a set of physics-informed variables such as the melt pool dimensions and the peak temperature can be extracted to compute the resulting defects. An optimization algorithm is then exercised to control laser input and minimize defects. On the other hand, the constructed DT can also evolve with the physical twin via offline finetuning and online material calibration. Finally, a probabilistic framework is adopted for uncertainty quantification. The developed DT is envisioned to guide the AM process and facilitate high-quality manufacturing.

Ning Liu, Yiming Fan, Xianyi Zeng et al.

Neural operators (NOs) have emerged as effective tools for modeling complex physical systems in scientific machine learning. In NOs, a central characteristic is to learn the governing physical laws directly from data. In contrast to other machine learning applications, partial knowledge is often known a priori about the physical system at hand whereby quantities such as mass, energy and momentum are exactly conserved. Currently, NOs have to learn these conservation laws from data and can only approximately satisfy them due to finite training data and random noise. In this work, we introduce conservation law-encoded neural operators (clawNOs), a suite of NOs that endow inference with automatic satisfaction of such conservation laws. ClawNOs are built with a divergence-free prediction of the solution field, with which the continuity equation is automatically guaranteed. As a consequence, clawNOs are compliant with the most fundamental and ubiquitous conservation laws essential for correct physical consistency. As demonstrations, we consider a wide variety of scientific applications ranging from constitutive modeling of material deformation, incompressible fluid dynamics, to atmospheric simulation. ClawNOs significantly outperform the state-of-the-art NOs in learning efficacy, especially in small-data regimes.

Daoyuan Wu, Shuai Wang, Yang Liu et al.

Jailbreaking is an emerging adversarial attack that bypasses the safety alignment deployed in off-the-shelf large language models (LLMs). A considerable amount of research exists proposing more effective jailbreak attacks, including the recent Greedy Coordinate Gradient (GCG) attack, jailbreak template-based attacks such as using "Do-Anything-Now" (DAN), and multilingual jailbreak. In contrast, the defensive side has been relatively less explored. This paper proposes a lightweight yet practical defense called SELFDEFEND, which can defend against all existing jailbreak attacks with minimal delay for jailbreak prompts and negligible delay for normal user prompts. Our key insight is that regardless of the kind of jailbreak strategies employed, they eventually need to include a harmful prompt (e.g., "how to make a bomb") in the prompt sent to LLMs, and we found that existing LLMs can effectively recognize such harmful prompts that violate their safety policies. Based on this insight, we design a shadow stack that concurrently checks whether a harmful prompt exists in the user prompt and triggers a checkpoint in the normal stack once a token of "No" or a harmful prompt is output. The latter could also generate an explainable LLM response to adversarial prompts. We demonstrate our idea of SELFDEFEND works in various jailbreak scenarios through manual analysis in GPT-3.5/4. We also list three future directions to further enhance SELFDEFEND.

Weijun Chen, Heyuan Wang, Ye Tian et al.

Multivariate time-series (MTS) forecasting is a challenging task in many real-world non-stationary dynamic scenarios. In addition to intra-series temporal signals, the inter-series dependency also plays a crucial role in shaping future trends. How to enable the model's awareness of dependency information has raised substantial research attention. Previous approaches have either presupposed dependency constraints based on domain knowledge or imposed them using real-time feature similarity. However, MTS data often exhibit both enduring long-term static relationships and transient short-term interactions, which mutually influence their evolving states. It is necessary to recognize and incorporate the complementary dependencies for more accurate MTS prediction. The frequency information in time series reflects the evolutionary rules behind complex temporal dynamics, and different frequency components can be used to well construct long-term and short-term interactive dependency structures between variables. To this end, we propose FCDNet, a concise yet effective framework for multivariate time-series forecasting. Specifically, FCDNet overcomes the above limitations by applying two light-weight dependency constructors to help extract long- and short-term dependency information adaptively from multi-level frequency patterns. With the growth of input variables, the number of trainable parameters in FCDNet only increases linearly, which is conducive to the model's scalability and avoids over-fitting. Additionally, adopting a frequency-based perspective can effectively mitigate the influence of noise within MTS data, which helps capture more genuine dependencies. The experimental results on six real-world datasets from multiple fields show that FCDNet significantly exceeds strong baselines, with an average improvement of 6.82% on MAE, 4.98% on RMSE, and 4.91% on MAPE.

Hongzuo Xu, Yijie Wang, Juhui Wei et al.

Due to the unsupervised nature of anomaly detection, the key to fueling deep models is finding supervisory signals. Different from current reconstruction-guided generative models and transformation-based contrastive models, we devise novel data-driven supervision for tabular data by introducing a characteristic -- scale -- as data labels. By representing varied sub-vectors of data instances, we define scale as the relationship between the dimensionality of original sub-vectors and that of representations. Scales serve as labels attached to transformed representations, thus offering ample labeled data for neural network training. This paper further proposes a scale learning-based anomaly detection method. Supervised by the learning objective of scale distribution alignment, our approach learns the ranking of representations converted from varied subspaces of each data instance. Through this proxy task, our approach models inherent regularities and patterns within data, which well describes data "normality". Abnormal degrees of testing instances are obtained by measuring whether they fit these learned patterns. Extensive experiments show that our approach leads to significant improvement over state-of-the-art generative/contrastive anomaly detection methods.

Ning Liu, Zhe Li, Zhiyuan Xu et al.

Automatic decision-making approaches, such as reinforcement learning (RL), have been applied to (partially) solve the resource allocation problem adaptively in the cloud computing system. However, a complete cloud resource allocation framework exhibits high dimensions in state and action spaces, which prohibit the usefulness of traditional RL techniques. In addition, high power consumption has become one of the critical concerns in design and control of cloud computing systems, which degrades system reliability and increases cooling cost. An effective dynamic power management (DPM) policy should minimize power consumption while maintaining performance degradation within an acceptable level. Thus, a joint virtual machine (VM) resource allocation and power management framework is critical to the overall cloud computing system. Moreover, novel solution framework is necessary to address the even higher dimensions in state and action spaces. In this paper, we propose a novel hierarchical framework for solving the overall resource allocation and power management problem in cloud computing systems. The proposed hierarchical framework comprises a global tier for VM resource allocation to the servers and a local tier for distributed power management of local servers. The emerging deep reinforcement learning (DRL) technique, which can deal with complicated control problems with large state space, is adopted to solve the global tier problem. Furthermore, an autoencoder and a novel weight sharing structure are adopted to handle the high-dimensional state space and accelerate the convergence speed. On the other hand, the local tier of distributed server power managements comprises an LSTM based workload predictor and a model-free RL based power manager, operating in a distributed manner.