NTU
Abstract:We introduce a pioneering autoregressive generative model for 3D point cloud generation. Inspired by visual autoregressive modeling (VAR), we conceptualize point cloud generation as an autoregressive up-sampling process. This leads to our novel model, PointARU, which progressively refines 3D point clouds from coarse to fine scales. PointARU follows a two-stage training paradigm: first, it learns multi-scale discrete representations of point clouds, and then it trains an autoregressive transformer for next-scale prediction. To address the inherent unordered and irregular structure of point clouds, we incorporate specialized point-based up-sampling network modules in both stages and integrate 3D absolute positional encoding based on the decoded point cloud at each scale during the second stage. Our model surpasses state-of-the-art (SoTA) diffusion-based approaches in both generation quality and parameter efficiency across diverse experimental settings, marking a new milestone for autoregressive methods in 3D point cloud generation. Furthermore, PointARU demonstrates exceptional performance in completing partial 3D shapes and up-sampling sparse point clouds, outperforming existing generative models in these tasks.
Abstract:Multi-task learning (MTL) has emerged as a promising approach for deploying deep learning models in real-life applications. Recent studies have proposed optimization-based learning paradigms to establish task-shared representations in MTL. However, our paper empirically argues that these studies, specifically gradient-based ones, primarily emphasize the conflict issue while neglecting the potentially more significant impact of imbalance/dominance in MTL. In line with this perspective, we enhance the existing baseline method by injecting imbalance-sensitivity through the imposition of constraints on the projected norms. To demonstrate the effectiveness of our proposed IMbalance-sensitive Gradient (IMGrad) descent method, we evaluate it on multiple mainstream MTL benchmarks, encompassing supervised learning tasks as well as reinforcement learning. The experimental results consistently demonstrate competitive performance.
Abstract:Spiking Neural Networks (SNNs) offer a promising, biologically inspired approach for processing spatiotemporal data, particularly for time series forecasting. However, conventional neuron models like the Leaky Integrate-and-Fire (LIF) struggle to capture long-term dependencies and effectively process multi-scale temporal dynamics. To overcome these limitations, we introduce the Temporal Segment Leaky Integrate-and-Fire (TS-LIF) model, featuring a novel dual-compartment architecture. The dendritic and somatic compartments specialize in capturing distinct frequency components, providing functional heterogeneity that enhances the neuron's ability to process both low- and high-frequency information. Furthermore, the newly introduced direct somatic current injection reduces information loss during intra-neuronal transmission, while dendritic spike generation improves multi-scale information extraction. We provide a theoretical stability analysis of the TS-LIF model and explain how each compartment contributes to distinct frequency response characteristics. Experimental results show that TS-LIF outperforms traditional SNNs in time series forecasting, demonstrating better accuracy and robustness, even with missing data. TS-LIF advances the application of SNNs in time-series forecasting, providing a biologically inspired approach that captures complex temporal dynamics and offers potential for practical implementation in diverse forecasting scenarios. The source code is available at https://github.com/kkking-kk/TS-LIF.
Abstract:Multi-task learning (MTL) is a widely explored paradigm that enables the simultaneous learning of multiple tasks using a single model. Despite numerous solutions, the key issues of optimization conflict and task imbalance remain under-addressed, limiting performance. Unlike existing optimization-based approaches that typically reweight task losses or gradients to mitigate conflicts or promote progress, we propose a novel approach based on Continual Optimization with Symmetry Teleportation (COST). During MTL optimization, when an optimization conflict arises, we seek an alternative loss-equivalent point on the loss landscape to reduce conflict. Specifically, we utilize a low-rank adapter (LoRA) to facilitate this practical teleportation by designing convergent, loss-invariant objectives. Additionally, we introduce a historical trajectory reuse strategy to continually leverage the benefits of advanced optimizers. Extensive experiments on multiple mainstream datasets demonstrate the effectiveness of our approach. COST is a plug-and-play solution that enhances a wide range of existing MTL methods. When integrated with state-of-the-art methods, COST achieves superior performance.
Abstract:Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large Language Model (LLM)-assisted text mining with Conditional Generative Adversarial Networks (CGANs) to enhance data diversity and improve inverse design. Taking alloy discovery as a case study, AlloyGAN systematically refines material candidates through iterative screening and experimental validation. For metallic glasses, the framework predicts thermodynamic properties with discrepancies of less than 8% from experiments, demonstrating its robustness. By bridging generative AI with domain knowledge and validation workflows, AlloyGAN offers a scalable approach to accelerate the discovery of materials with tailored properties, paving the way for broader applications in materials science.
Abstract:Generative models have gained significant attention in multivariate time series forecasting (MTS), particularly due to their ability to generate high-fidelity samples. Forecasting the probability distribution of multivariate time series is a challenging yet practical task. Although some recent attempts have been made to handle this task, two major challenges persist: 1) some existing generative methods underperform in high-dimensional multivariate time series forecasting, which is hard to scale to higher dimensions; 2) the inherent high-dimensional multivariate attributes constrain the forecasting lengths of existing generative models. In this paper, we point out that discrete token representations can model high-dimensional MTS with faster inference time, and forecasting the target with long-term trends of itself can extend the forecasting length with high accuracy. Motivated by this, we propose a vector quantized framework called Hierarchical Discrete Transformer (HDT) that models time series into discrete token representations with l2 normalization enhanced vector quantized strategy, in which we transform the MTS forecasting into discrete tokens generation. To address the limitations of generative models in long-term forecasting, we propose a hierarchical discrete Transformer. This model captures the discrete long-term trend of the target at the low level and leverages this trend as a condition to generate the discrete representation of the target at the high level that introduces the features of the target itself to extend the forecasting length in high-dimensional MTS. Extensive experiments on five popular MTS datasets verify the effectiveness of our proposed method.
Abstract:Large language models (LLMs) are widely adopted to generate synthetic datasets for various natural language processing (NLP) tasks, such as text classification and summarization. However, accurately measuring the diversity of these synthetic datasets-an aspect crucial for robust model performance-remains a significant challenge. In this paper, we introduce DCScore, a novel method for measuring synthetic dataset diversity from a classification perspective. Specifically, DCScore formulates diversity evaluation as a sample classification task, leveraging mutual relationships among samples. We further provide theoretical verification of the diversity-related axioms satisfied by DCScore, highlighting its role as a principled diversity evaluation method. Experimental results on synthetic datasets reveal that DCScore enjoys a stronger correlation with multiple diversity pseudo-truths of evaluated datasets, underscoring its effectiveness. Moreover, both empirical and theoretical evidence demonstrate that DCScore substantially reduces computational costs compared to existing approaches. Code is available at: https://github.com/BlueWhaleLab/DCScore.
Abstract:Bi-level optimization has achieved considerable success in contemporary machine learning applications, especially for given proper hyperparameters. However, due to the two-level optimization structure, commonly, researchers focus on two types of bi-level optimization methods: approximate implicit differentiation (AID)-based and iterative differentiation (ITD)-based approaches. ITD-based methods can be readily transformed into single-level optimization problems, facilitating the study of their generalization capabilities. In contrast, AID-based methods cannot be easily transformed similarly but must stay in the two-level structure, leaving their generalization properties enigmatic. In this paper, although the outer-level function is nonconvex, we ascertain the uniform stability of AID-based methods, which achieves similar results to a single-level nonconvex problem. We conduct a convergence analysis for a carefully chosen step size to maintain stability. Combining the convergence and stability results, we give the generalization ability of AID-based bi-level optimization methods. Furthermore, we carry out an ablation study of the parameters and assess the performance of these methods on real-world tasks. Our experimental results corroborate the theoretical findings, demonstrating the effectiveness and potential applications of these methods.
Abstract:Online multi-task learning (OMTL) enhances streaming data processing by leveraging the inherent relations among multiple tasks. It can be described as an optimization problem in which a single loss function is defined for multiple tasks. Existing gradient-descent-based methods for this problem might suffer from gradient vanishing and poor conditioning issues. Furthermore, the centralized setting hinders their application to online parallel optimization, which is vital to big data analytics. Therefore, this study proposes a novel OMTL framework based on the alternating direction multiplier method (ADMM), a recent breakthrough in optimization suitable for the distributed computing environment because of its decomposable and easy-to-implement nature. The relations among multiple tasks are modeled dynamically to fit the constant changes in an online scenario. In a classical distributed computing architecture with a central server, the proposed OMTL algorithm with the ADMM optimizer outperforms SGD-based approaches in terms of accuracy and efficiency. Because the central server might become a bottleneck when the data scale grows, we further tailor the algorithm to a decentralized setting, so that each node can work by only exchanging information with local neighbors. Experimental results on a synthetic and several real-world datasets demonstrate the efficiency of our methods.
Abstract:Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to their AR counterparts and lack fair comparison on language modeling benchmarks. Additionally, training diffusion models from scratch at scale remains challenging. Given the prevalence of open-source AR language models, we propose adapting these models to build text diffusion models. We demonstrate connections between AR and diffusion modeling objectives and introduce a simple continual pre-training approach for training diffusion models. Through systematic evaluation on language modeling, reasoning, and commonsense benchmarks, we show that we can convert AR models ranging from 127M to 7B parameters (GPT2 and LLaMA) into diffusion models DiffuGPT and DiffuLLaMA, using less than 200B tokens for training. Our experimental results reveal that these models outperform earlier DLMs and are competitive with their AR counterparts. We release a suite of DLMs (with 127M, 355M, and 7B parameters) capable of generating fluent text, performing in-context learning, filling in the middle without prompt re-ordering, and following instructions \url{https://github.com/HKUNLP/DiffuLLaMA}.