Carnegie Mellon University
Abstract:Retrieval-augmented generation (RAG) techniques leverage the in-context learning capabilities of large language models (LLMs) to produce more accurate and relevant responses. Originating from the simple 'retrieve-then-read' approach, the RAG framework has evolved into a highly flexible and modular paradigm. A critical component, the Query Rewriter module, enhances knowledge retrieval by generating a search-friendly query. This method aligns input questions more closely with the knowledge base. Our research identifies opportunities to enhance the Query Rewriter module to Query Rewriter+ by generating multiple queries to overcome the Information Plateaus associated with a single query and by rewriting questions to eliminate Ambiguity, thereby clarifying the underlying intent. We also find that current RAG systems exhibit issues with Irrelevant Knowledge; to overcome this, we propose the Knowledge Filter. These two modules are both based on the instruction-tuned Gemma-2B model, which together enhance response quality. The final identified issue is Redundant Retrieval; we introduce the Memory Knowledge Reservoir and the Retriever Trigger to solve this. The former supports the dynamic expansion of the RAG system's knowledge base in a parameter-free manner, while the latter optimizes the cost for accessing external knowledge, thereby improving resource utilization and response efficiency. These four RAG modules synergistically improve the response quality and efficiency of the RAG system. The effectiveness of these modules has been validated through experiments and ablation studies across six common QA datasets. The source code can be accessed at https://github.com/Ancientshi/ERM4.
Abstract:Cryogenic Electron Tomography (CryoET) is a useful imaging technology in structural biology that is hindered by its need for manual annotations, especially in particle picking. Recent works have endeavored to remedy this issue with few-shot learning or contrastive learning techniques. However, supervised training is still inevitable for them. We instead choose to leverage the power of existing 2D foundation models and present a novel, training-free framework, CryoSAM. In addition to prompt-based single-particle instance segmentation, our approach can automatically search for similar features, facilitating full tomogram semantic segmentation with only one prompt. CryoSAM is composed of two major parts: 1) a prompt-based 3D segmentation system that uses prompts to complete single-particle instance segmentation recursively with Cross-Plane Self-Prompting, and 2) a Hierarchical Feature Matching mechanism that efficiently matches relevant features with extracted tomogram features. They collaborate to enable the segmentation of all particles of one category with just one particle-specific prompt. Our experiments show that CryoSAM outperforms existing works by a significant margin and requires even fewer annotations in particle picking. Further visualizations demonstrate its ability when dealing with full tomogram segmentation for various subcellular structures. Our code is available at: https://github.com/xulabs/aitom
Abstract:Transfer learning methods start performing poorly when the complexity of the learning task is increased. Most of these methods calculate the cumulative differences of all the matched features and then use them to back-propagate that loss through all the layers. Contrary to these methods, in this work, we propose a novel layer-wise learning scheme that adjusts learning parameters per layer as a function of the differences in the Jacobian/Attention/Hessian of the output activations w.r.t. the network parameters. We applied this novel scheme for attention map-based and derivative-based (first and second order) transfer learning methods. We received improved learning performance and stability against a wide range of datasets. From extensive experimental evaluation, we observed that the performance boost achieved by our method becomes more significant with the increasing difficulty of the learning task.
Abstract:Combining the message-passing paradigm with the global attention mechanism has emerged as an effective framework for learning over graphs. The message-passing paradigm and the global attention mechanism fundamentally generate node embeddings based on information aggregated from a node's local neighborhood or from the whole graph. The most basic and commonly used aggregation approach is to take the sum of information from a node's local neighbourhood or from the whole graph. However, it is unknown if the dominant information is from a node itself or from the node's neighbours (or the rest of the graph nodes). Therefore, there exists information lost at each layer of embedding generation, and this information lost could be accumulated and become more serious when more layers are used in the model. In this paper, we present a differential encoding method to address the issue of information lost. The idea of our method is to encode the differential representation between the information from a node's neighbours (or the rest of the graph nodes) and that from the node itself. The obtained differential encoding is then combined with the original aggregated local or global representation to generate the updated node embedding. By integrating differential encodings, the representational ability of generated node embeddings is improved. The differential encoding method is empirically evaluated on different graph tasks on seven benchmark datasets. The results show that it is a general method that improves the message-passing update and the global attention update, advancing the state-of-the-art performance for graph representation learning on these datasets.
Abstract:Drug target binding affinity (DTA) is a key criterion for drug screening. Existing experimental methods are time-consuming and rely on limited structural and domain information. While learning-based methods can model sequence and structural information, they struggle to integrate contextual data and often lack comprehensive modeling of drug-target interactions. In this study, we propose a novel DTA prediction method, termed HGTDP-DTA, which utilizes dynamic prompts within a hybrid Graph-Transformer framework. Our method generates context-specific prompts for each drug-target pair, enhancing the model's ability to capture unique interactions. The introduction of prompt tuning further optimizes the prediction process by filtering out irrelevant noise and emphasizing task-relevant information, dynamically adjusting the input features of the molecular graph. The proposed hybrid Graph-Transformer architecture combines structural information from Graph Convolutional Networks (GCNs) with sequence information captured by Transformers, facilitating the interaction between global and local information. Additionally, we adopted the multi-view feature fusion method to project molecular graph views and affinity subgraph views into a common feature space, effectively combining structural and contextual information. Experiments on two widely used public datasets, Davis and KIBA, show that HGTDP-DTA outperforms state-of-the-art DTA prediction methods in both prediction performance and generalization ability.
Abstract:Cryo-Electron Tomography (cryo-ET) is a 3D imaging technology facilitating the study of macromolecular structures at near-atomic resolution. Recent volumetric segmentation approaches on cryo-ET images have drawn widespread interest in biological sector. However, existing methods heavily rely on manually labeled data, which requires highly professional skills, thereby hindering the adoption of fully-supervised approaches for cryo-ET images. Some unsupervised domain adaptation (UDA) approaches have been designed to enhance the segmentation network performance using unlabeled data. However, applying these methods directly to cryo-ET images segmentation tasks remains challenging due to two main issues: 1) the source data, usually obtained through simulation, contain a certain level of noise, while the target data, directly collected from raw-data from real-world scenario, have unpredictable noise levels. 2) the source data used for training typically consists of known macromoleculars, while the target domain data are often unknown, causing the model's segmenter to be biased towards these known macromolecules, leading to a domain shift problem. To address these challenges, in this work, we introduce the first voxel-wise unsupervised domain adaptation approach, termed Vox-UDA, specifically for cryo-ET subtomogram segmentation. Vox-UDA incorporates a noise generation module to simulate target-like noises in the source dataset for cross-noise level adaptation. Additionally, we propose a denoised pseudo-labeling strategy based on improved Bilateral Filter to alleviate the domain shift problem. Experimental results on both simulated and real cryo-ET subtomogram datasets demonstrate the superiority of our proposed approach compared to state-of-the-art UDA methods.
Abstract:Video anomaly detection aims to develop automated models capable of identifying abnormal events in surveillance videos. The benchmark setup for this task is extremely challenging due to: i) the limited size of the training sets, ii) weak supervision provided in terms of video-level labels, and iii) intrinsic class imbalance induced by the scarcity of abnormal events. In this work, we show that distilling knowledge from aggregated representations of multiple backbones into a relatively simple model achieves state-of-the-art performance. In particular, we develop a bi-level distillation approach along with a novel disentangled cross-attention-based feature aggregation network. Our proposed approach, DAKD (Distilling Aggregated Knowledge with Disentangled Attention), demonstrates superior performance compared to existing methods across multiple benchmark datasets. Notably, we achieve significant improvements of 1.36%, 0.78%, and 7.02% on the UCF-Crime, ShanghaiTech, and XD-Violence datasets, respectively.
Abstract:Unsupervised disentanglement of content and transformation has recently drawn much research, given their efficacy in solving downstream unsupervised tasks like clustering, alignment, and shape analysis. This problem is particularly important for analyzing shape-focused real-world scientific image datasets, given their significant relevance to downstream tasks. The existing works address the problem by explicitly parameterizing the transformation factors, significantly reducing their expressiveness. Moreover, they are not applicable in cases where transformations can not be readily parametrized. An alternative to such explicit approaches is self-supervised methods with data augmentation, which implicitly disentangles transformations and content. We demonstrate that the existing self-supervised methods with data augmentation result in the poor disentanglement of content and transformations in real-world scenarios. Therefore, we developed a novel self-supervised method, DualContrast, specifically for unsupervised disentanglement of content and transformations in shape-focused image datasets. Our extensive experiments showcase the superiority of DualContrast over existing self-supervised and explicit parameterization approaches. We leveraged DualContrast to disentangle protein identities and protein conformations in cellular 3D protein images. Moreover, we also disentangled transformations in MNIST, viewpoint in the Linemod Object dataset, and human movement deformation in the Starmen dataset as transformations using DualContrast.
Abstract:Remarkable strides have been made in reconstructing static scenes or human bodies from monocular videos. Yet, the two problems have largely been approached independently, without much synergy. Most visual SLAM methods can only reconstruct camera trajectories and scene structures up to scale, while most HMR methods reconstruct human meshes in metric scale but fall short in reasoning with cameras and scenes. This work introduces Synergistic Camera and Human Reconstruction (SynCHMR) to marry the best of both worlds. Specifically, we design Human-aware Metric SLAM to reconstruct metric-scale camera poses and scene point clouds using camera-frame HMR as a strong prior, addressing depth, scale, and dynamic ambiguities. Conditioning on the dense scene recovered, we further learn a Scene-aware SMPL Denoiser to enhance world-frame HMR by incorporating spatio-temporal coherency and dynamic scene constraints. Together, they lead to consistent reconstructions of camera trajectories, human meshes, and dense scene point clouds in a common world frame. Project page: https://paulchhuang.github.io/synchmr
Abstract:In the field of medical decision-making, precise anomaly detection in medical imaging plays a pivotal role in aiding clinicians. However, previous work is reliant on large-scale datasets for training anomaly detection models, which increases the development cost. This paper first focuses on the task of medical image anomaly detection in the few-shot setting, which is critically significant for the medical field where data collection and annotation are both very expensive. We propose an innovative approach, MediCLIP, which adapts the CLIP model to few-shot medical image anomaly detection through self-supervised fine-tuning. Although CLIP, as a vision-language model, demonstrates outstanding zero-/fewshot performance on various downstream tasks, it still falls short in the anomaly detection of medical images. To address this, we design a series of medical image anomaly synthesis tasks to simulate common disease patterns in medical imaging, transferring the powerful generalization capabilities of CLIP to the task of medical image anomaly detection. When only few-shot normal medical images are provided, MediCLIP achieves state-of-the-art performance in anomaly detection and location compared to other methods. Extensive experiments on three distinct medical anomaly detection tasks have demonstrated the superiority of our approach. The code is available at https://github.com/cnulab/MediCLIP.