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Applications · Time Series

Hui Chen, Viet Luong, Lopamudra Mukherjee, Vikas Singh

The versatility of large Transformer-based models has led to many efforts focused on adaptations to other modalities, including time-series data. For instance, one could start from a pre-trained checkpoint of a large language model and attach adapters to recast the new modality (e.g., time-series) as ``language''. Alternatively, one can use a suitably large Transformer-based model, and make some modifications for time-series data. These ideas offer good performance across available benchmarks. But temporal data are quite heterogeneous (e.g., wearable sensors, physiological measurements in healthcare), and unlike text/image corpus, much of it is not publicly available. So, these models need a fair bit of domain-specific fine-tuning to achieve good performance -- this is often expensive or difficult with limited resources. In this paper, we study and characterize the performance profile of a non-generalist approach: our SimpleTM model is specialized for multivariate time-series forecasting. By simple, we mean that the model is lightweight. It is restricted to tokenization based on textbook signal processing ideas (shown to be effective in vision) which are then allowed to attend/interact: via self-attention but also via ways that are a bit more general than dot-product attention, accomplished via basic geometric algebra operations. We show that even a single- or two-layer model gives results that are competitive with much bigger models, including large transformer-based architectures,on most benchmarks commonly reported in the literature.

Applications · Computer Vision

Zhibing Li, Tong Wu, Jing Tan, Mengchen Zhang, Jiaqi Wang, Dahua Lin

Capturing geometric and material information from images remains a fundamental challenge in computer vision and graphics. Traditional optimization-based methods often require hours of computational time to reconstruct geometry, material properties, and environmental lighting from dense multi-view inputs, while still struggling with inherent ambiguities between lighting and material. On the other hand, learning-based approaches leverage rich material priors from existing 3D object datasets but face challenges with maintaining multi-view consistency.In this paper, we introduce IDArb, a diffusion-based model designed to perform intrinsic decomposition on an arbitrary number of images under varying illuminations. Our method achieves highly accurate and multi-view consistent estimation on surface normals and material properties. This is made possible through a novel cross-view, cross-domain attention module and an illumination-augmented, view-adaptive training strategy. Additionally, we introduce ARB-Objaverse, a new dataset that provides large-scale multi-view intrinsic data and renderings under diverse lighting conditions, supporting robust training.Extensive experiments demonstrate that IDArb outperforms state-of-the-art methods both qualitatively and quantitatively. Moreover, our approach facilitates a range of downstream tasks, including single-image relighting, photometric stereo, and 3D reconstruction, highlighting its broad applicability in realistic 3D content creation.Project website: https://lizb6626.github.io/IDArb/.

Applications · Computer Vision

Yichen Wang, Yiyi Zhang, Xinhao Hu, Li Niu, Jianfu Zhang, Yasushi Makihara, Yasushi Yagi, Pai Peng, Wenlong Liao, Tao He 等

Reconstructing pedestrian motion from dynamic sensors, with a focus on pedestrian intention, is crucial for advancing autonomous driving safety. However, this task is challenging due to data limitations arising from technical complexities, safety, and cost concerns. We introduce the Pedestrian Motion Reconstruction (PMR) dataset, which focuses on pedestrian intention to reconstruct behavior using multiple perspectives and modalities. PMR is developed from a mixed reality platform that combines real-world realism with the extensive, accurate labels of simulations, thereby reducing costs and risks. It captures the intricate dynamics of pedestrian interactions with objects and vehicles, using different modalities for a comprehensive understanding of human-vehicle interaction. Analyses show that PMR can naturally exhibit pedestrian intent and simulate extreme cases. PMR features a vast collection of data from 54 subjects interacting across 12 urban settings with 7 objects, encompassing 12,138 sequences with diverse weather conditions and vehicle speeds. This data provides a rich foundation for modeling pedestrian intent through multi-view and multi-modal insights. We also conduct comprehensive benchmark assessments across different modalities to thoroughly evaluate pedestrian motion reconstruction methods.

Applications · Computer Vision

Siyu Sun, Han Lu, Jiangtong Li, Yichen Xie, Tianjiao Li, Xiaokang Yang, Liqing Zhang, Junchi Yan

In the field of long-tailed recognition, the Decoupled Training paradigm has shown exceptional promise by dividing training into two stages: representation learning and classifier re-training. While previous work has tried to improve both stages simultaneously, this complicates isolating the effect of classifier re-training. Recent studies reveal that simple regularization can produce strong feature representations, highlighting the need to reassess classifier re-training methods. In this study, we revisit classifier re-training methods based on a unified feature representation and re-evaluate their performances. We propose two new metrics, Logits Magnitude and Regularized Standard Deviation, to compare the differences and similarities between various methods. Using these two newly proposed metrics, we demonstrate that when the Logits Magnitude across classes is nearly balanced, further reducing its overall value can effectively decrease errors and disturbances during training, leading to better model performance. Based on our analysis using these metrics, we observe that adjusting the logits could improve model performance, leading us to develop a simple label over-smoothing approach to adjust the logits without requiring prior knowledge of class distribution.This method softens the original one-hot labels by assigning a probability slightly higher than $\frac{1}{K}$ to the true class and slightly lower than $\frac{1}{K}$ to the other classes, where $K$ is the number of classes.Our method achieves state-of-the-art performance on various imbalanced datasets, including CIFAR100-LT, ImageNet-LT, and iNaturalist2018.

Theory · Learning Theory

Juno Kim, Taiji Suzuki

This work provides the first theoretical analysis of training transformers to solve complex problems by recursively generating intermediate states, analogous to fine-tuning for chain-of-thought (CoT) reasoning. We consider training a one-layer transformer to solve the fundamental $k$-parity problem, extending the work on RNNs by \citet{Wies23}. We establish three key results: (1) any finite-precision gradient-based algorithm, without intermediate supervision, requires substantial iterations to solve parity with finite samples. (2) In contrast, when intermediate parities are incorporated into the loss function, our model can learn parity in one gradient update when aided by \emph{teacher forcing}, where ground-truth labels of the reasoning chain are provided at each generation step. (3) Even without teacher forcing, where the model must generate CoT chains end-to-end, parity can be learned efficiently if augmented data is employed to internally verify the soundness of intermediate steps. Our findings, supported by numerical experiments, show that task decomposition and stepwise reasoning naturally arise from optimizing transformers with CoT; moreover, self-consistency checking can improve multi-step reasoning ability, aligning with empirical studies of CoT.

Applications · Physics

Jindou Chen, Jidong Tian, Liang Wu, ChenXinWei, Xiaokang Yang, Yaohui Jin, Yanyan Xu

Modeling kinetic equations is essential for understanding the mechanisms of chemical reactions, yet a complex and time-consuming task. Kinetic equation prediction is formulated as a problem of dynamical symbolic regression (DSR) subject to physical chemistry constraints. Deep learning (DL) holds the potential to capture reaction patterns and predict kinetic equations from data of chemical species, effectively avoiding empirical bias and improving efficiency compared with traditional analytical methods. Despite numerous studies focusing on DSR and the introduction of Transformers to predict ordinary differential equations, the corresponding models lack generalization abilities across diverse categories of reactions. In this study, we propose KinFormer, a generalizable kinetic equation prediction model. KinFormer utilizes a conditional Transformer to model DSR under physical constraints and employs Monte Carlo Tree Search to apply the model to new types of reactions. Experimental results on 20 types of organic reactions demonstrate that KinFormer not only outperforms classical baselines, but also exceeds Transformer baselines in out-of-domain evaluations, thereby proving its generalization ability.

Reinforcement Learning · Everything Else

Xue Yan, Yan Song, Xidong Feng, Mengyue Yang, Haifeng Zhang, Haitham Bou Ammar, Jun Wang

In sequential decision-making (SDM) tasks, methods like reinforcement learning (RL) and heuristic search have made notable advances in specific cases. However, they often require extensive exploration and face challenges in generalizing across diverse environments due to their limited grasp of the underlying decision dynamics. In contrast, large language models (LLMs) have recently emerged as powerful general-purpose tools, due to their capacity to maintain vast amounts of domain-specific knowledge. To harness this rich prior knowledge for efficiently solving complex SDM tasks, we propose treating LLMs as prior action distributions and integrating them into RL frameworks through Bayesian inference methods, making use of variational inference and direct posterior sampling. The proposed approaches facilitate the seamless incorporation of fixed LLM priors into both policy-based and value-based RL frameworks. Our experiments show that incorporating LLM-based action priors significantly reduces exploration and optimization complexity, substantially improving sample efficiency compared to traditional RL techniques, e.g., using LLM priors decreases the number of required samples by over 90\% in offline learning scenarios.

Deep Learning · Large Language Models

Shaobo Wang, Hongxuan Tang, Mingyang Wang, Hongrui Zhang, Xuyang Liu, Weiya Li, Xuming Hu, Linfeng Zhang

The debate between self-interpretable models and post-hoc explanations for black-box models is central to Explainable AI (XAI). Self-interpretable models, such as concept-based networks, offer insights by connecting decisions to human-understandable concepts but often struggle with performance and scalability. Conversely, post-hoc methods like Shapley values, while theoretically robust, are computationally expensive and resource-intensive. To bridge the gap between these two lines of research, we propose a novel method that combines their strengths, providing theoretically guaranteed self-interpretability for black-box models without compromising prediction accuracy. Specifically, we introduce a parameter-efficient pipeline, AutoGnothi, which integrates a small side network into the black-box model, allowing it to generate Shapley value explanations without changing the original network parameters. This side-tuning approach significantly reduces memory, training, and inference costs, outperforming traditional parameter-efficient methods, where full fine-tuning serves as the optimal baseline. AutoGnothi enables the black-box model to predict and explain its predictions with minimal overhead. Extensive experiments show that AutoGnothi offers accurate explanations for both vision and language tasks, delivering superior computational efficiency with comparable interpretability.

Probabilistic Methods · Structure Learning

Hamid Kalantari, Russell Greiner, Pouria Ramazi

Learning the structure of Bayesian networks is a fundamental yet computationally intensive task, especially as the number of variables grows. Traditional algorithms require retraining from scratch when new variables are introduced, making them impractical for dynamic or large-scale applications. In this paper, we propose an extendable structure learning strategy that efficiently incorporates a new variable $Y$ into an existing Bayesian network graph $\mathcal{G}$ over variables $\mathcal{X}$, resulting in an updated P-map graph $\bar{\mathcal{G}}$ on $\bar{\mathcal{X}} = \mathcal{X} \cup \{Y\}$. By leveraging the information encoded in $\mathcal{G}$, our method significantly reduces computational overhead compared to learning $\bar{\mathcal{G}}$ from scratch. Empirical evaluations demonstrate runtime reductions of up to 1300x without compromising accuracy. Building on this approach, we introduce a novel iterative paradigm for structure learning over $\mathcal{X}$. Starting with a small subset $\mathcal{U} \subset \mathcal{X}$, we iteratively add the remaining variables using our extendable algorithms to construct a P-map graph over the full set. This method offers runtime advantages comparable to common algorithms while maintaining similar accuracy. Our contributions provide a scalable solution for Bayesian network structure learning, enabling efficient model updates in real-time and high-dimensional settings.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Minh Le, Chau Nguyen, Huy Nguyen, Quyen Tran, Trung Le, Nhat Ho

Prompt-based techniques, such as prompt-tuning and prefix-tuning, have gained prominence for their efficiency in fine-tuning large pre-trained models. Despite their widespread adoption, the theoretical foundations of these methods remain limited. For instance, in prefix-tuning, we observe that a key factor in achieving performance parity with full fine-tuning lies in the reparameterization strategy. However, the theoretical principles underpinning the effectiveness of this approach have yet to be thoroughly examined. Our study demonstrates that reparameterization is not merely an engineering trick but is grounded in deep theoretical foundations. Specifically, we show that the reparameterization strategy implicitly encodes a shared structure between prefix key and value vectors. Building on recent insights into the connection between prefix-tuning and mixture of experts models, we further illustrate that this shared structure significantly improves sample efficiency in parameter estimation compared to non-shared alternatives. The effectiveness of prefix-tuning across diverse tasks is empirically confirmed to be enhanced by the shared structure, through extensive experiments in both visual and language domains. Additionally, we uncover similar structural benefits in prompt-tuning, offering new perspectives on its success. Our findings provide theoretical and empirical contributions, advancing the understanding of prompt-based methods and their underlying mechanisms.

Deep Learning · Generative Models and Autoencoders

Chang Zou, Xuyang Liu, Ting Liu, Siteng Huang, Linfeng Zhang

Diffusion transformers have shown significant effectiveness in both image and video synthesis at the expense of huge computation costs. To address this problem, feature caching methods have been introduced to accelerate diffusion transformers by caching the features in previous timesteps and reusing them in the following timesteps. However, previous caching methods ignore that different tokens exhibit different sensitivities to feature caching, and feature caching on some tokens may lead to 10$\times$ more destruction to the overall generation quality compared with other tokens. In this paper, we introduce token-wise feature caching, allowing us to adaptively select the most suitable tokens for caching, and further enable us to apply different caching ratios to neural layers in different types and depths. Extensive experiments on PixArt-alpha, OpenSora, and DiT demonstrate our effectiveness in both image and video generation with no requirements for training. For instance, 2.36$\times$ and 1.93$\times$ acceleration are achieved on OpenSora and PixArt-$\alpha$ with almost no drop in generation quality. Codes have been released in the supplementary material and Github.

Deep Learning · Large Language Models

Jie Zhang, Dongrui Liu, Chen Qian, Linfeng Zhang, Yong Liu, Yu Qiao, Jing Shao

Protecting the intellectual property of open-source Large Language Models (LLMs) is very important, because training LLMs costs extensive computational resources and data. Therefore, model owners and third parties need to identify whether a suspect model is a subsequent development of the victim model. To this end, we propose a training-free REEF to identify the relationship between the suspect and victim models from the perspective of LLMs' feature representations. Specifically, REEF computes and compares the centered kernel alignment similarity between the representations of a suspect model and a victim model on the same samples. This training-free REEF does not impair the model's general capabilities and is robust to sequential fine-tuning, pruning, model merging, and permutations. In this way, REEF provides a simple and effective way for third parties and models' owners to protect LLMs' intellectual property together. Our code is publicly accessible at https://github.com/AI45Lab/REEF.

Deep Learning · Large Language Models

Hritik Bansal, Arian Hosseini, Rishabh Agarwal, Vinh Tran, Seyed Mehran Kazemi

Training on high-quality synthetic data from strong language models (LMs) is a common strategy to improve the reasoning performance of LMs. In this work, we revisit whether this strategy is compute-optimal under a fixed inference budget (e.g., FLOPs). To do so, we investigate the trade-offs between generating synthetic data using a stronger but more expensive (SE) model versus a weaker but cheaper (WC) model. We evaluate the generated data across three key metrics: coverage, diversity, and false positive rate, and show that the data from WC models may have higher coverage and diversity, but also exhibit higher false positive rates. We then finetune LMs on data from SE and WC models in different settings: knowledge distillation, self-improvement, and a novel weak-to-strong improvement setup where a weaker LM teaches reasoning to a stronger LM. Our findings reveal that models finetuned on WC-generated data consistently outperform those trained on SE-generated data across multiple benchmarks and multiple choices of WC and SE models. These results challenge the prevailing practice of relying on SE models for synthetic data generation, suggesting that WC may be the compute-optimal approach for training advanced LM reasoners.

Theory · Learning Theory

Robert Ganian, Liana Khazaliya, Fionn Mc Inerney, Mathis Rocton

We study the classical and parameterized complexity of computing the positive non-clashing teaching dimension of a set of concepts, that is, the smallest number of examples per concept required to successfully teach an intelligent learner under the considered, previously established model. For any class of concepts, it is known that this problem can be effortlessly transferred to the setting of balls in a graph $G$. We establish (1) the NP-hardness of the problem even when restricted to instances with positive non-clashing teaching dimension $k=2$ and where all balls in the graph are present, (2) near-tight running time upper and lower bounds for the problem on general graphs, (3) fixed-parameter tractability when parameterized by the vertex integrity of $G$, and (4) a lower bound excluding fixed-parameter tractability when parameterized by the feedback vertex number and pathwidth of $G$, even when combined with $k$.Our results provide a nearly complete understanding of the complexity landscape of computing the positive non-clashing teaching dimension and answer open questions from the literature.

Deep Learning · Large Language Models

Bo Xiong, Steffen Staab

Pretrained masked language models (MLMs) have demonstrated an impressive capability to comprehend and encode conceptual knowledge, revealing a lattice structure among concepts. This raises a critical question: how does this conceptualization emerge from MLM pretraining? In this paper, we explore this problem from the perspective of Formal Concept Analysis (FCA), a mathematical framework that derives concept lattices from the observations of object-attribute relationships. We show that the MLM's objective implicitly learns a formal context that describes objects, attributes, and their dependencies, which enables the reconstruction of a concept lattice through FCA. We propose a novel framework for concept lattice construction from pretrained MLMs and investigate the origin of the inductive biases of MLMs in lattice structure learning. Our framework differs from previous work because it does not rely on human-defined concepts and allows for discovering "latent" concepts that extend beyond human definitions. We create three datasets for evaluation, and the empirical results verify our hypothesis.

Deep Learning · Large Language Models

Jie Zhang, Dongrui Liu, Chen Qian, Linfeng Zhang, Yong Liu, Yu Qiao, Jing Shao

Protecting the intellectual property of open-source Large Language Models (LLMs) is very important, because training LLMs costs extensive computational resources and data. Therefore, model owners and third parties need to identify whether a suspect model is a subsequent development of the victim model. To this end, we propose a training-free REEF to identify the relationship between the suspect and victim models from the perspective of LLMs' feature representations. Specifically, REEF computes and compares the centered kernel alignment similarity between the representations of a suspect model and a victim model on the same samples. This training-free REEF does not impair the model's general capabilities and is robust to sequential fine-tuning, pruning, model merging, and permutations. In this way, REEF provides a simple and effective way for third parties and models' owners to protect LLMs' intellectual property together. Our code is publicly accessible at https://github.com/AI45Lab/REEF.

Reinforcement Learning · Deep RL

Utsav Singh, Vinay Purushothaman Namboodiri

Hierarchical reinforcement learning (HRL) has the potential to solve complex long horizon tasks using temporal abstraction and increased exploration. However, hierarchical agents are difficult to train due to inherent non-stationarity. We present primitive enabled adaptive relabeling (PEAR), a two-phase approach where we first perform adaptive relabeling on a few expert demonstrations to generate efficient subgoal supervision, and then jointly optimize HRL agents by employing reinforcement learning (RL) and imitation learning (IL). We perform theoretical analysis to bound the sub-optimality of our approach and derive a joint optimization framework using RL and IL. Since PEAR utilizes only a few expert demonstrations and considers minimal limiting assumptions on the task structure, it can be easily integrated with typical off-policy \RL algorithms to produce a practical HRL approach. We perform extensive experiments on challenging environments and show that PEAR is able to outperform various hierarchical and non-hierarchical baselines and achieve upto 80% success rates in complex sparse robotic control tasks where other baselines typically fail to show significant progress. We also perform ablations to thoroughly analyze the importance of our various design choices. Finally, we perform real world robotic experiments on complex tasks and demonstrate that PEAR consistently outperforms the baselines.

Applications · Computer Vision

Qian Yu, Peng-Tao Jiang, Hao Zhang, Jinwei Chen, Bo Li, Lihe Zhang, Huchuan Lu

In the realm of high-resolution (HR), fine-grained image segmentation, the primary challenge is balancing broad contextual awareness with the precision required for detailed object delineation, capturing intricate details and the finest edges of objects. Diffusion models, trained on vast datasets comprising billions of image-text pairs, such as SD V2.1, have revolutionized text-to-image synthesis by delivering exceptional quality, fine detail resolution, and strong contextual awareness, making them an attractive solution for high-resolution image segmentation. To this end, we propose DiffDIS, a diffusion-driven segmentation model that taps into the potential of the pre-trained U-Net within diffusion models, specifically designed for high-resolution, fine-grained object segmentation. By leveraging the robust generalization capabilities and rich, versatile image representation prior of the SD models, coupled with a task-specific stable one-step denoising approach, we significantly reduce the inference time while preserving high-fidelity, detailed generation. Additionally, we introduce an auxiliary edge generation task to not only enhance the preservation of fine details of the object boundaries, but reconcile the probabilistic nature of diffusion with the deterministic demands of segmentation. With these refined strategies in place, DiffDIS serves as a rapid object mask generation model, specifically optimized for generating detailed binary maps at high resolutions, while demonstrating impressive accuracy and swift processing. Experiments on the DIS5K dataset demonstrate the superiority of DiffDIS, achieving state-of-the-art results through a streamlined inference process. The source code will be publicly available at \href{https://github.com/qianyu-dlut/DiffDIS}{DiffDIS}.

Deep Learning · Large Language Models

Lefan Zhang, Xiaodan Wang, Yanhua Huang, Ruiwen Xu

Speculative sampling is a promising approach to accelerate the decoding stage for Large Language Models (LLMs). Recent advancements that leverage target LLM's contextual information, such as hidden states and KV cache, have shown significant practical improvements. However, these approaches suffer from inconsistent context between training and decoding. We also observe another discrepancy between the training and decoding objectives in existing speculative sampling methods. In this work, we propose a solution named HArmonized Speculative Sampling (HASS) that learns harmonized representations to address these issues. HASS accelerates the decoding stage without adding inference overhead through harmonized objective distillation and harmonized context alignment. Experiments on four LLaMA models demonstrate that HASS achieves 2.81x-4.05x wall-clock time speedup ratio averaging across three datasets, surpassing EAGLE-2 by 8%-20%. The code is available at https://github.com/HArmonizedSS/HASS.

Applications · Computer Vision

Viraj Dhananjaya Bandara Jayasundara Jayasundara Mudiyanselage, Heng Zhao, Demetrio Labate, Vishal Patel

Implicit Neural Representations (INRs) provide a continuous mapping between the coordinates of a signal and the corresponding values. As the performance of INRs heavily depends on the choice of nonlinear-activation functions, there has been a significant focus on encoding explicit signals within INRs using diverse activation functions. Despite recent advancements, existing INRs often encounter significant challenges, particularly at fine scales where they often introduce noise-like artifacts over smoother areas compromising the quality of the output. Moreover, they frequently struggle to generalize to unseen coordinates. These drawbacks highlight a critical area for further research and development to enhance the robustness and applicability of INRs across diverse scenarios. To address this challenge, we introduce the Prolate Spheroidal Wave Function-based Implicit Neural Representations (PIN), which exploits the optimal space-frequency domain concentration of Prolate Spheroidal Wave Functions (PSWFs) as the nonlinear mechanism in INRs. Our experimental results reveal that PIN excels not only in representing images and 3D shapes but also significantly outperforms existing methods in various vision tasks that require INR generalization, including image inpainting, novel view synthesis, edge detection, and image denoising.