Abstract:Due to its efficiency, Post-Training Quantization (PTQ) has been widely adopted for compressing Vision Transformers (ViTs). However, when quantized into low-bit representations, there is often a significant performance drop compared to their full-precision counterparts. To address this issue, reconstruction methods have been incorporated into the PTQ framework to improve performance in low-bit quantization settings. Nevertheless, existing related methods predefine the reconstruction granularity and seldom explore the progressive relationships between different reconstruction granularities, which leads to sub-optimal quantization results in ViTs. To this end, in this paper, we propose a Progressive Fine-to-Coarse Reconstruction (PFCR) method for accurate PTQ, which significantly improves the performance of low-bit quantized vision transformers. Specifically, we define multi-head self-attention and multi-layer perceptron modules along with their shortcuts as the finest reconstruction units. After reconstructing these two fine-grained units, we combine them to form coarser blocks and reconstruct them at a coarser granularity level. We iteratively perform this combination and reconstruction process, achieving progressive fine-to-coarse reconstruction. Additionally, we introduce a Progressive Optimization Strategy (POS) for PFCR to alleviate the difficulty of training, thereby further enhancing model performance. Experimental results on the ImageNet dataset demonstrate that our proposed method achieves the best Top-1 accuracy among state-of-the-art methods, particularly attaining 75.61% for 3-bit quantized ViT-B in PTQ. Besides, quantization results on the COCO dataset reveal the effectiveness and generalization of our proposed method on other computer vision tasks like object detection and instance segmentation.
Abstract:Multi-person motion prediction is an emerging and intricate task with broad real-world applications. Unlike single person motion prediction, it considers not just the skeleton structures or human trajectories but also the interactions between others. Previous methods use various networks to achieve impressive predictions but often overlook that the joints relations within an individual (intra-relation) and interactions among groups (inter-relation) are distinct types of representations. These methods often lack explicit representation of inter&intra-relations, and inevitably introduce undesired dependencies. To address this issue, we introduce a new collaborative framework for multi-person motion prediction that explicitly modeling these relations:a GCN-based network for intra-relations and a novel reasoning network for inter-relations.Moreover, we propose a novel plug-and-play aggregation module called the Interaction Aggregation Module (IAM), which employs an aggregate-attention mechanism to seamlessly integrate these relations. Experiments indicate that the module can also be applied to other dual-path models. Extensive experiments on the 3DPW, 3DPW-RC, CMU-Mocap, MuPoTS-3D, as well as synthesized datasets Mix1 & Mix2 (9 to 15 persons), demonstrate that our method achieves state-of-the-art performance.
Abstract:Multi-person motion prediction is a complex and emerging field with significant real-world applications. Current state-of-the-art methods typically adopt dual-path networks to separately modeling spatial features and temporal features. However, the uncertain compatibility of the two networks brings a challenge for spatio-temporal features fusion and violate the spatio-temporal coherence and coupling of human motions by nature. To address this issue, we propose a novel graph structure, UnityGraph, which treats spatio-temporal features as a whole, enhancing model coherence and coupling.spatio-temporal features as a whole, enhancing model coherence and coupling. Specifically, UnityGraph is a hypervariate graph based network. The flexibility of the hypergraph allows us to consider the observed motions as graph nodes. We then leverage hyperedges to bridge these nodes for exploring spatio-temporal features. This perspective considers spatio-temporal dynamics unitedly and reformulates multi-person motion prediction into a problem on a single graph. Leveraging the dynamic message passing based on this hypergraph, our model dynamically learns from both types of relations to generate targeted messages that reflect the relevance among nodes. Extensive experiments on several datasets demonstrates that our method achieves state-of-the-art performance, confirming its effectiveness and innovative design.
Abstract:The performance of graph neural networks (GNNs) is susceptible to discrepancies between training and testing sample distributions. Prior studies have attempted to enhance GNN performance by reconstructing node features during the testing phase without modifying the model parameters. However, these approaches lack theoretical analysis of the proximity between predictions and ground truth at test time. In this paper, we propose a novel node feature reconstruction method grounded in Lyapunov stability theory. Specifically, we model the GNN as a control system during the testing phase, considering node features as control variables. A neural controller that adheres to the Lyapunov stability criterion is then employed to reconstruct these node features, ensuring that the predictions progressively approach the ground truth at test time. We validate the effectiveness of our approach through extensive experiments across multiple datasets, demonstrating significant performance improvements.
Abstract:Developing advanced catalysts for acidic oxygen evolution reaction (OER) is crucial for sustainable hydrogen production. This study introduces a novel, multi-stage machine learning (ML) approach to streamline the discovery and optimization of complex multi-metallic catalysts. Our method integrates data mining, active learning, and domain adaptation throughout the materials discovery process. Unlike traditional trial-and-error methods, this approach systematically narrows the exploration space using domain knowledge with minimized reliance on subjective intuition. Then the active learning module efficiently refines element composition and synthesis conditions through iterative experimental feedback. The process culminated in the discovery of a promising Ru-Mn-Ca-Pr oxide catalyst. Our workflow also enhances theoretical simulations with domain adaptation strategy, providing deeper mechanistic insights aligned with experimental findings. By leveraging diverse data sources and multiple ML strategies, we establish an efficient pathway for electrocatalyst discovery and optimization. This comprehensive, data-driven approach represents a paradigm shift and potentially new benchmark in electrocatalysts research.
Abstract:Differentiable causal discovery has made significant advancements in the learning of directed acyclic graphs. However, its application to real-world datasets remains restricted due to the ubiquity of latent confounders and the requirement to learn maximal ancestral graphs (MAGs). To date, existing differentiable MAG learning algorithms have been limited to small datasets and failed to scale to larger ones (e.g., with more than 50 variables). The key insight in this paper is that the causal skeleton, which is the undirected version of the causal graph, has potential for improving accuracy and reducing the search space of the optimization procedure, thereby enhancing the performance of differentiable causal discovery. Therefore, we seek to address a two-fold challenge to harness the potential of the causal skeleton for differentiable causal discovery in the presence of latent confounders: (1) scalable and accurate estimation of skeleton and (2) universal integration of skeleton estimation with differentiable causal discovery. To this end, we propose SPOT (Skeleton Posterior-guided OpTimization), a two-phase framework that harnesses skeleton posterior for differentiable causal discovery in the presence of latent confounders. On the contrary to a ``point-estimation'', SPOT seeks to estimate the posterior distribution of skeletons given the dataset. It first formulates the posterior inference as an instance of amortized inference problem and concretizes it with a supervised causal learning (SCL)-enabled solution to estimate the skeleton posterior. To incorporate the skeleton posterior with differentiable causal discovery, SPOT then features a skeleton posterior-guided stochastic optimization procedure to guide the optimization of MAGs. [abridged due to length limit]
Abstract:The rapid advancement of Large Language Models (LLMs) has ushered in an era where AI-generated text is increasingly indistinguishable from human-generated content. Detecting AI-generated text has become imperative to combat misinformation, ensure content authenticity, and safeguard against malicious uses of AI. In this paper, we propose a novel hybrid approach that combines traditional TF-IDF techniques with advanced machine learning models, including Bayesian classifiers, Stochastic Gradient Descent (SGD), Categorical Gradient Boosting (CatBoost), and 12 instances of Deberta-v3-large models. Our approach aims to address the challenges associated with detecting AI-generated text by leveraging the strengths of both traditional feature extraction methods and state-of-the-art deep learning models. Through extensive experiments on a comprehensive dataset, we demonstrate the effectiveness of our proposed method in accurately distinguishing between human and AI-generated text. Our approach achieves superior performance compared to existing methods. This research contributes to the advancement of AI-generated text detection techniques and lays the foundation for developing robust solutions to mitigate the challenges posed by AI-generated content.
Abstract:Tabular data analysis is crucial in various fields, and large language models show promise in this area. However, current research mostly focuses on rudimentary tasks like Text2SQL and TableQA, neglecting advanced analysis like forecasting and chart generation. To address this gap, we developed the Text2Analysis benchmark, incorporating advanced analysis tasks that go beyond the SQL-compatible operations and require more in-depth analysis. We also develop five innovative and effective annotation methods, harnessing the capabilities of large language models to enhance data quality and quantity. Additionally, we include unclear queries that resemble real-world user questions to test how well models can understand and tackle such challenges. Finally, we collect 2249 query-result pairs with 347 tables. We evaluate five state-of-the-art models using three different metrics and the results show that our benchmark presents introduces considerable challenge in the field of tabular data analysis, paving the way for more advanced research opportunities.
Abstract:Resource allocation is of crucial importance in wireless communications. However, it is extremely challenging to design efficient resource allocation schemes for future wireless communication networks since the formulated resource allocation problems are generally non-convex and consist of various coupled variables. Moreover, the dynamic changes of practical wireless communication environment and user service requirements thirst for efficient real-time resource allocation. To tackle these issues, a novel partially observable deep multi-agent active inference (PODMAI) framework is proposed for realizing intelligent resource allocation. A belief based learning method is exploited for updating the policy by minimizing the variational free energy. A decentralized training with a decentralized execution multi-agent strategy is designed to overcome the limitations of the partially observable state information. Exploited the proposed framework, an intelligent spectrum allocation and trajectory optimization scheme is developed for a spectrum sharing unmanned aerial vehicle (UAV) network with dynamic transmission rate requirements as an example. Simulation results demonstrate that our proposed framework can significantly improve the sum transmission rate of the secondary network compared to various benchmark schemes. Moreover, the convergence speed of the proposed PODMAI is significantly improved compared with the conventional reinforcement learning framework. Overall, our proposed framework can enrich the intelligent resource allocation frameworks and pave the way for realizing real-time resource allocation.
Abstract:Due to inappropriate sample selection and limited training data, a distribution shift often exists between the training and test sets. This shift can adversely affect the test performance of Graph Neural Networks (GNNs). Existing approaches mitigate this issue by either enhancing the robustness of GNNs to distribution shift or reducing the shift itself. However, both approaches necessitate retraining the model, which becomes unfeasible when the model structure and parameters are inaccessible. To address this challenge, we propose FR-GNN, a general framework for GNNs to conduct feature reconstruction. FRGNN constructs a mapping relationship between the output and input of a well-trained GNN to obtain class representative embeddings and then uses these embeddings to reconstruct the features of labeled nodes. These reconstructed features are then incorporated into the message passing mechanism of GNNs to influence the predictions of unlabeled nodes at test time. Notably, the reconstructed node features can be directly utilized for testing the well-trained model, effectively reducing the distribution shift and leading to improved test performance. This remarkable achievement is attained without any modifications to the model structure or parameters. We provide theoretical guarantees for the effectiveness of our framework. Furthermore, we conduct comprehensive experiments on various public datasets. The experimental results demonstrate the superior performance of FRGNN in comparison to mainstream methods.