Post-training quantization (PTQ) has emerged as a promising solution for reducing the storage and computational cost of vision transformers (ViTs). Recent advances primarily target at crafting quantizers to deal with peculiar activations characterized by ViTs. However, most existing methods underestimate the information loss incurred by weight quantization, resulting in significant performance deterioration, particularly in low-bit cases. Furthermore, a common practice in quantizing post-Softmax activations of ViTs is to employ logarithmic transformations, which unfortunately prioritize less informative values around zero. This approach introduces additional redundancies, ultimately leading to suboptimal quantization efficacy. To handle these, this paper proposes an innovative PTQ method tailored for ViTs, termed AIQViT (Architecture-Informed Post-training Quantization for ViTs). First, we design an architecture-informed low-rank compensation mechanism, wherein learnable low-rank weights are introduced to compensate for the degradation caused by weight quantization. Second, we design a dynamic focusing quantizer to accommodate the unbalanced distribution of post-Softmax activations, which dynamically selects the most valuable interval for higher quantization resolution. Extensive experiments on five vision tasks, including image classification, object detection, instance segmentation, point cloud classification, and point cloud part segmentation, demonstrate the superiority of AIQViT over state-of-the-art PTQ methods.
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The symbolic discovery of Ordinary Differential Equations (ODEs) from trajectory data plays a pivotal role in AI-driven scientific discovery. Existing symbolic methods predominantly rely on fixed, pre-collected training datasets, which often result in suboptimal performance, as demonstrated in our case study in Figure 1. Drawing inspiration from active learning, we investigate strategies to query informative trajectory data that can enhance the evaluation of predicted ODEs. However, the butterfly effect in dynamical systems reveals that small variations in initial conditions can lead to drastically different trajectories, necessitating the storage of vast quantities of trajectory data using conventional active learning. To address this, we introduce Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching (APPS). Instead of directly selecting individual initial conditions, our APPS first identifies an informative region within the phase space and then samples a batch of initial conditions from this region. Compared to traditional active learning methods, APPS mitigates the gap of maintaining a large amount of data. Extensive experiments demonstrate that APPS consistently discovers more accurate ODE expressions than baseline methods using passively collected datasets.
As partial samples are often absent in certain views, incomplete multi-view clustering has become a challenging task. To tackle data with missing views, current methods either utilize the data similarity relations to recover missing samples or primarily consider the available information of existing samples, typically facing some inherent limitations. Firstly, traditional solutions cannot fully explore the potential information contained in missing samples due to their omission strategy, leading to sub-optimal graphs. Moreover, most methods mainly focus on data recovery from the view level, ignoring the differences among available/missing samples in various views. To this end, we propose a collaborative Similarity Fusion and Consistency Recovery (SFCR) method, which resolves the incomplete multi-view clustering problem by learning a unified similarity graph and recovering missing samples with consistent structures. Specifically, to learn a reliable graph compatible across views, a novel view-to-sample fusion model is designed to adaptively coalesce the view-wise similarities among available samples, not only preserving the complementarity and consistency among views but also properly balancing different samples. Furthermore, the missing samples are effectively recovered under the guidance of the fused similarity graph, so as to maintain the consistent structure of recovered data across views. In this way, the similarity learning and the missing data recovery benefit from each other in a collaborative reinforcement manner. Meanwhile, SFCR can directly obtain the final clustering labels without additional post-processing. Extensive experiments demonstrate the effectiveness and superiority of SFCR.
The effective utilization of data through Deep Neural Networks (DNNs) has profoundly influenced various aspects of society. The growing demand for high-quality, particularly personalized, data has spurred research efforts to prevent data leakage and protect privacy in recent years. Early privacy-preserving methods primarily relied on instance-wise modifications, such as erasing or obfuscating essential features for de-identification. However, this approach highlights an inherent trade-off: minimal modification offers insufficient privacy protection, while excessive modification significantly degrades task performance. In this paper, we propose a novel Recombining for Obfuscation (FRO) approach to address this trade-off. Unlike existing methods that generate one anonymized instance by perturbing the original data on a one-to-one basis, our FRO approach generates an anonymized instance by reassembling mixed ID-related features from multiple original data sources on a many-in-one basis. Instead of introducing additional noise for de-identification, our approach leverages the existing non-polluted features from other instances to anonymize data. Extensive experiments on identity identification tasks demonstrate that FRO outperforms previous state-of-the-art methods, not only in utility performance but also in visual anonymization.
The applicability of drug molecules in various clinical scenarios is significantly influenced by a diverse range of molecular properties. By leveraging self-supervised conditions such as atom attributes and interatomic bonds, existing advanced molecular foundation models can generate expressive representations of these molecules. However, such models often overlook the fixed association patterns within molecules that influence physiological or chemical properties. In this paper, we introduce a novel association pattern-aware message passing method, which can serve as an effective yet general plug-and-play plugin, thereby enhancing the atom representations generated by molecular foundation models without requiring additional pretraining. Additionally, molecular property-specific pattern libraries are constructed to collect the generated interpretable common patterns that bind to these properties. Extensive experiments conducted on 11 benchmark molecular property prediction tasks across 8 advanced molecular foundation models demonstrate significant superiority of the proposed method, with performance improvements of up to approximately 20%. Furthermore, a property-specific pattern library is tailored for blood-brain barrier penetration, which has undergone corresponding mechanistic validation.
Despite the impressive progress of multimodal generative models, video-to-audio generation still suffers from limited performance and limits the flexibility to prioritize sound synthesis for specific objects within the scene. Conversely, text-to-audio generation methods generate high-quality audio but pose challenges in ensuring comprehensive scene depiction and time-varying control. To tackle these challenges, we propose a novel video-and-text-to-audio generation method, called ReWaS, where video serves as a conditional control for a text-to-audio generation model. Especially, our method estimates the structural information of sound (namely, energy) from the video while receiving key content cues from a user prompt. We employ a well-performing text-to-audio model to consolidate the video control, which is much more efficient for training multimodal diffusion models with massive triplet-paired (audio-video-text) data. In addition, by separating the generative components of audio, it becomes a more flexible system that allows users to freely adjust the energy, surrounding environment, and primary sound source according to their preferences. Experimental results demonstrate that our method shows superiority in terms of quality, controllability, and training efficiency.
TAIL-MIL: Time-Aware and Instance-Learnable Multiple Instance Learning for Multivariate Time Series Anomaly Detection
PDF ↗This study addresses the challenge of detecting anomalies in multivariate time series data. Considering a bag (e.g., multi-sensor data) consisting of two-dimensional spaces of time points and multivariate instances (e.g., individual sensors), we aim to detect anomalies at both the bag and instance level with a unified model. To circumvent the practical difficulties of labeling at the instance level in such spaces, we adopt a multiple instance learning (MIL)-based approach, which enables learning at both the bag- and instance- levels using only the bag-level labels. In this study, we introduce time-aware and instance-learnable MIL (simply, TAIL-MIL). We propose two specialized attention mechanisms designed to effectively capture the relationships between different types of instances. We innovatively integrate these attention mechanisms with conjunctive pooling applied to the two-dimensional structure at different levels (i.e., bag- and instance-level), enabling TAIL-MIL to effectively pinpoint both the timing and causative multivariate factors of anomalies. We provide theoretical evidence demonstrating TAIL-MIL's efficacy in detecting instances with two-dimensional structures. Furthermore, we empirically validate the superior performance of TAIL-MIL over the state-of-the-art MIL methods and multivariate time-series anomaly detection methods.
We present an option discovery algorithm that accelerates planning by minimizing the shortest distance between any two states in the MDP. The proposed algorithm produces options that approximately minimize planning time in the multi-goal setting: it is shown to be a worst case (4-alpha, 2)-approximation of the optimal option set, where alpha is the approximation ratio of the k-medians with penalties subroutine. We then present a variation, "Fast Average Options", with improved run-time and describe a general means of producing similar algorithms based on selection of a k-medians subroutine. We empirically evaluate our method on four discrete and two continuous control planning domains and show that it outperforms other leading option discovery algorithms.
Missing values in multivariate time series data can harm machine learning performance and introduce bias. These gaps arise from sensor malfunctions, blackouts, and human error and are typically addressed by data imputation. Previous work has tackled the imputation of missing data in random, complete blackouts and forecasting scenarios. The current paper addresses a more general missing pattern, which we call "partial blackout," where a subset of features is missing for consecutive time steps. We introduce a two-stage imputation process using self-attention and diffusion processes to model feature and temporal correlations. Notably, our model effectively handles missing data during training, enhancing adaptability and ensuring reliable imputation and performance, even with incomplete datasets. Our experiments on benchmark and two real-world time series datasets demonstrate that our model outperforms the state-of-the-art in partial blackout scenarios and shows better scalability.
This paper introduces state abstraction for two-player zero-sum Markov games (TZMGs) where the payoffs for the two players are determined by the state representing the environment and their respective actions, with state transitions following a Markov decision processes. For example, in games like soccer, the value of actions changes according to the state of play, we should describe them as Markov games. In TZMGs, the more the number of states becomes, the more difficult computing the equilibrium becomes. Therefore, we abstract the states of TZMGs and examine the performance. State abstraction reduces the number of states by treating multiple different states as a single state, and there is a substantial body of research on finding optimal policies for Markov decision processes using state abstraction. This study extends the state abstraction for MDPs to Markov games. In this case, the game with state abstraction may yield different equilibrium solutions from those of the ground game. To evaluate the equilibrium solutions of the game with state abstraction, we derived bounds on duality gap, which represents the distance from the equilibrium solutions of the ground game. Finally, we demonstrate our state abstraction with Markov Soccer, compute equilibrium policies, and examine the results.
Hierarchical pooling in conjunction with Graph Neural Networks (GNN) improves performance in graph classification tasks. Hierarchical pooling has to produce Multi-resolution representations while preserving graph-level information. One such hierarchical pooling is Standard-Sparse-Pooling (SSP). SSP assigns an importance score to each node, selects the Top-K nodes, and scales their attributes by their scores to produce the output. We reveal SSPs’ tendency to pool Over Representative Regions (ORR) on the graph’s signal space leaving some regions unpooled thus proving that SSP is incapable of preserving graph-level information robustly. We propose to overcome this by an improved differentiable exploration over the graph’s signal space dubbed as skipping hence the name SkipPool. We tested SkipPool & its variant SkipPool-Full each against matching pooling methods. Proposed methods achieve new state-of-the-art performance on the majority of benchmark datasets. Moreover, we show that skipping is more robust at capturing the graph signal space consequently preserving more graph-level information than its counterparts. Proposed methods require a reasonably few parameters and their execution time can be kept low with parallelization.
Tabular data poses unique challenges due to its heterogeneous nature, combining both continuous and categorical variables. Existing approaches often struggle to effectively capture the underlying structure and relationships within such data. We propose GFTab (Geodesic Flow Kernels for Semi-Supervised Learning on Mixed-Variable Tabular Dataset), a semi-supervised framework specifically designed for tabular datasets. GFTab incorporates three key innovations: 1) Variable-specific corruption methods tailored to the distinct properties of continuous and categorical variables, 2) A Geodesic flow kernel based similarity measure to capture geometric changes between corrupted inputs, and 3) Tree-based embedding to leverage hierarchical relationships from available labeled data. To rigorously evaluate GFTab, we curate a comprehensive set of 21 tabular datasets spanning various domains, sizes, and variable compositions. Our experimental results show that GFTab outperforms existing ML/DL models across many of these datasets, particularly in settings with limited labeled data.
Multi-sensor fusion systems (MSFs) play a vital role as the perception module in modern autonomous vehicles (AVs). Therefore, ensuring their robustness against common and realistic adversarial semantic transformations, such as rotation and shifting in the physical world, is crucial for the safety of AVs. While empirical evidence suggests that MSFs exhibit improved robustness compared to single-modal models, they are still vulnerable to adversarial semantic transformations. In addition, although many empirical defenses have been proposed, several works show that these defenses can be further attacked by new adaptive attacks. So far, there is no certified defense proposed for MSFs. In this work, we propose the first robustness certification framework COMMIT to certify the robustness of multi-sensor fusion systems against semantic attacks. In particular, we propose a practical anisotropic noise mechanism that leverages randomized smoothing on multi-modal data and performs a grid-based splitting method to characterize complex semantic transformations. We also propose efficient algorithms to compute the certification in terms of object detection accuracy and IoU for large-scale MSF models. Empirically, we evaluate the efficacy of COMMIT in different settings and provide a comprehensive benchmark of certified robustness for different MSF models using the CARLA simulation platform. We show that the certification for MSF models is at most 48.39% higher than that of single-modal models, which validates the advantages of MSF models. We believe our certification framework and benchmark will contribute an important step towards certifiably robust AVs in practice.
Time series generation models are crucial for applications like data augmentation and privacy preservation. Most existing time series generation models are typically designed to generate data from one specified domain. While leveraging data from other domain for better generalization is proved to work in other application areas, this approach remains challenging for time series modeling due to the large divergence in patterns among different real world time series categories. In this paper, we propose a multi-domain time series diffusion model with domain prompts, named TimeDP. In TimeDP, we utilize a time series semantic prototype module which defines time series prototypes to represent time series basis, each prototype vector serving as "word" representing some elementary time series feature. A prototype assignment module is applied to extract the extract domain specific prototype weights, for learning domain prompts as generation condition. During sampling, we extract ``domain prompt" with few-shot samples from the target domain and use the domain prompts as condition to generate time series samples. Experiments demonstrate that our method outperforms baselines to provide the state-of-the-art in-domain generation quality and strong unseen domain generation capability.
Does GCL Need a Large Number of Negative Samples? Enhancing Graph Contrastive Learning with Effective and Efficient Negative Sampling
PDF ↗Graph Contrastive Learning (GCL) aims to self-supervised learn low-dimensional graph representations, primarily through instance discrimination, which involves manually mining positive and negative pairs from graphs, increasing the similarity of positive pairs while decreasing negative pairs. Drawing from the success of Contrastive Learning (CL) in other domains, a consensus has been reached that the effectiveness of GCLs depends on a large number of negative pairs. As a result, despite the significant computational overhead, GCLs typically leverage as many negative node pairs as possible to improve model performance. However, given that nodes within a graph are interconnected, we argue that nodes cannot be treated as independent instances. Therefore, we challenge this consensus: Does employing more negative nodes lead to a more effective GCL model? To answer this, we explore the role of negative nodes in the commonly used InfoNCE loss for GCL and observe that: (1) Counterintuitively, a large number of negative nodes can actually hinder the model's ability to distinguish between nodes with different semantics. (2) A smaller number of high-quality and non-topologically coupled negative nodes are sufficient to enhance the discriminability of representations. Based on these findings, we propose a new method called GCL with Effective and Efficient Negative samples, E2Neg, which learns discriminative representations using only a very small set of representative negative samples. E2Neg significantly reduces computational overhead and speeds up model training. We demonstrate the effectiveness and efficiency of E2Neg across multiple datasets compared to other GCL methods.
TIME-FS: Joint Learning of Tensorial Incomplete Multi-View Unsupervised Feature Selection and Missing-View Imputation
PDF ↗Multi-view unsupervised feature selection (MUFS) has received considerable attention in recent years. Existing MUFS methods for processing unlabeled incomplete multi-view data, where some samples are missing in certain views, first impute the missing values and then perform feature selection on the completed dataset. However, treating imputation and feature selection as two separate processes overlooks their potential interactions. The graph-guided local structure gleaned from feature selection can aid in imputation, which in turn can enhance the feature selection performance. Additionally, most similarity graph-based MUFS methods suffer from high computational costs. To address these problems, we propose a novel MUFS method, termed Tensorial Incomplete Multi-view unsupErvised Feature Selection (TIME-FS). TIME-FS unifies missing value recovery, discriminative feature selection, and low-dimensional representation learning within a joint framework through matrix decomposition. Then, TIME-FS conducts CP decomposition on tensor data formed by the low-dimensional representations of different views to learn a consistent anchor graph across views and a view-preference weight matrix, both of which simultaneously guide missing view imputation and feature selection. Furthermore, an efficient algorithm with low time complexity and rapid convergence is proposed to solve TIME-FS. Extensive experimental results demonstrate the effectiveness and efficiency of TIME-FS over state-of-the-art methods.
SoLA: Leveraging Soft Activation Sparsity and Low-Rank Decomposition for Large Language Model Compression
PDF ↗Large language models (LLMs) have demonstrated impressive capabilities across various tasks, but the billion-scale parameters pose deployment challenges. Although existing methods attempt to reduce the scale of LLMs, they require either special hardware support or expensive post-training to maintain model quality. To facilitate efficient and affordable model slimming, we propose a novel training-free compression method for LLMs, named “SoLA”, which leverages Soft activation sparsity and Low-rAnk decomposition. SoLA can identify and retain a minority of components significantly contributing to inference, while compressing the majority through low-rank decomposition, based on our analysis of the activation pattern in the feed-forward network (FFN) of modern LLMs. To alleviate the decomposition loss, SoLA is equipped with an adaptive component-wise low-rank allocation strategy to assign appropriate truncation positions for different weight matrices. We conduct extensive experiments on LLaMA-2-7B/13B/70B and Mistral-7B models across a variety of benchmarks. SoLA exhibits remarkable improvement in both language modeling and downstream task accuracy without post-training. For example, with a 30% compression rate on the LLaMA-2-70B model, SoLA surpasses the state-of-the-art method by reducing perplexity from 6.95 to 4.44 and enhancing downstream task accuracy by 10%.
Adaptive Prompt-Based Semantic Embedding with Inspire Potential of Implicit Knowledge for Cross-Modal Retrieval
PDF ↗In the era of big data, cross-modal retrieval is increasingly important in research and application. Given the latent complexity and non-intuitive nature of cross-modal relationships, leveraging external knowledge such as large models has become a popular approach to facilitate modality alignment. Existing methods typically address these challenges by fine-tuning model encoders or using a fixed number of prompts. However, these approaches struggle with the significant information asymmetry between image-text pairs and the high distribution diversity of image data. These limitations not only introduce noise during training but also reduce the accuracy and generalization capabilities in cross-modal retrieval tasks. To address the above issues, this paper proposes Adaptive Prompt-Based Semantic Embedding with Inspired Potential of Implicit Knowledge (APSE-IPIK). On one hand, we propose an inspired potential strategy to extract fine-grained and multi-perspective text descriptions from large-scale pre-trained multimodal models, which can be seen as implicit knowledge injection. These descriptions are integrated into the visual-semantic embedding through cross-modal semantic alignment with images, balancing the information asymmetry between modalities and reducing the embedding of inaccurate mapping relationships. On the other hand, we construct an instance-level query-based prompt pool strategy to adaptively extract the most relevant prompts, addressing alignment biases caused by intra-modal (especially image) data diversity and improving alignment accuracy. Extensive experiments are conducted on two widely used datasets, Flickr30k and MSCOCO, which show the effectiveness of the proposed method.
Graph Mixture of Experts and Memory-augmented Routers for Multivariate Time Series Anomaly Detection
PDF ↗Multivariate time series (MTS) anomaly detection is a critical task that involves identifying abnormal patterns or events in data that consist of multiple interrelated time series. In order to better model the complex interdependence between entities and the various inherent characteristics of each entity, the graph neural network (GNN) based methods are widely adopted by existing methods. In each layer of GNN, node features aggregate information from their neighboring nodes to update their information. In doing so, from shallow layer to deep layer in GNN, original individual node features continue to be weakened and more structural information, i.e., from short-distance neighborhood to long-distance neighborhood, continues to be enhanced. However, research to date has largely ignored the understanding of how hierarchical graph information is represented and their characteristics that can benefit anomaly detection. Existing methods simply leverage the output from the last layer of GNN for anomaly estimation while neglecting the essential information contained in the intermediate GNN layers. To address such limitations, in this paper, we propose a Graph Mixture of Experts (Graph-MoE) network for multivariate time series anomaly detection, which incorporates the mixture of experts (MoE) module to adaptively represent and integrate hierarchical multi-layer graph information into entity representations. It is worth noting that our Graph-MoE can be integrated into any GNN-based MTS anomaly detection method in a plug-and-play manner. In addition, the memory-augmented routers are proposed in this paper to capture the correlation temporal information in terms of the global historical features of MTS to adaptively weigh the obtained entity representations to achieve successful anomaly estimation. Extensive experiments on five challenging datasets prove the superiority of our approach and each proposed module.
Probabilistic embeddings have several advantages over deterministic embeddings as they map each data point to a distribution, which better describes the uncertainty and complexity of data. Many works focus on adjusting the distribution constraint under the Information Bottleneck (IB) principle to enhance representation learning. However, these proposed regularization terms only consider the constraint of each latent variable, omitting the structural information between latent variables. In this paper, we propose a novel structural entropy-guided probabilistic coding model, named SEPC. Specifically, we incorporate the relationship between latent variables into the optimization by proposing a structural entropy regularization loss. Besides, as traditional structural information theory is not well-suited for regression tasks, we propose a probabilistic encoding tree, transferring regression tasks to classification tasks while diminishing the influence of the transformation. Experimental results across 12 natural language understanding tasks, including both classification and regression tasks, demonstrate the superior performance of SEPC compared to other state-of-the-art models in terms of effectiveness, generalization capability, and robustness to label noise.