论文检索

Deep Learning · Attention Mechanisms

Aaditya Singh, Ted Moskovitz, Sara Dragutinović, Feilx Hill, Stephanie Chan, Andrew Saxe

In-context learning (ICL) is a powerful ability that emerges in transformer models, enabling them to learn from context without weight updates. Recent work has established emergent ICL as a transient phenomenon that can sometimes disappear after long training times. In this work, we sought a mechanistic understanding of these transient dynamics. Firstly, we find that—after the disappearance of ICL—the asymptotic strategy is a remarkable hybrid between in-weights and in-context learning, which we term “context-constrained in-weights learning” (CIWL). CIWL is in competition with ICL, and eventually replaces it as the dominant strategy of the model (thus leading to ICL transience). However, we also find that the two competing strategies actually share sub-circuits, which gives rise to cooperative dynamics as well. For example, in our setup, ICL is unable to emerge quickly on its own, and can only be enabled through the simultaneous slow development of asymptotic CIWL. CIWL thus both cooperates and competes with ICL, a phenomenon we term “strategy coopetition”. Wepropose a minimal mathematical model that reproduces these key dynamics and interactions. Informed by this model, we were able to identify a setup where ICL is truly emergent and persistent.

General Machine Learning · Representation Learning

Shuo Chen, Chen Gong, Jun Li, Jian Yang

Measuring the similarity between data points plays a vital role in lots of popular representation learning tasks such as metric learning and contrastive learning. Most existing approaches utilize point-level distances to learn the point-to-point similarity between pairwise instances. However, since the finite number of training data points cannot fully cover the whole sample space consisting of an infinite number of points, the generalizability of the learned distance is usually limited by the sample size. In this paper, we thus extend the conventional form of data point to the new form of data ball with a predictable volume, so that we can naturally generalize the existing point-level distance to a new volume-aware distance (VAD) which measures the field-to-field geometric similarity. The learned VAD not only takes into account the relationship between observed instances but also uncovers the similarity among those unsampled neighbors surrounding the training data. This practice significantly enriches the coverage of sample space and thus improves the model generalizability. Theoretically, we prove that VAD tightens the error bound of traditional similarity learning and preserves crucial topological properties. Experiments on multi-domain data demonstrate the superiority of VAD over existing approaches in both supervised and unsupervised tasks.

General Machine Learning · Evaluation

Xinyue Zheng, Haowei Lin, Kaichen He, Zihao Wang, Qiang Fu, Haobo Fu, Zilong Zheng, Yitao Liang

Developing AI agents capable of interacting with open-world environments to solve diverse tasks is a compelling challenge. However, evaluating such open-ended agents remains difficult, with current benchmarks facing scalability limitations. To address this, we introduce \textit{Minecraft Universe} (MCU), a comprehensive evaluation framework set within the open-world video game Minecraft. MCU incorporates three key components: (1) an expanding collection of 3,452 composable atomic tasks that encompasses 11 major categories and 41 subcategories of challenges; (2) a task composition mechanism capable of generating infinite diverse tasks with varying difficulty; and (3) a general evaluation framework that achieves 91.5\% alignment with human ratings for open-ended task assessment. Empirical results reveal that even state-of-the-art foundation agents struggle with the increasing diversity and complexity of tasks. These findings highlight the necessity of MCU as a robust benchmark to drive progress in AI agent development within open-ended environments. Our evaluation code and scripts are available at https://github.com/CraftJarvis/MCU.

Applications · Computer Vision

Xuantong Liu, Shaozhe Hao, Xianbiao Qi, Tianyang Hu, JUN WANG, Rong Xiao, Yuan YAO

The success of large language models (LLMs) in text generation has inspired their application to image generation. However, existing methods either rely on specialized designs with inductive biases or adopt LLMs without fully exploring their potential in vision tasks. In this work, we systematically investigate the design space of LLMs for image generation and demonstrate that LLMs can achieve near state-of-the-art performance without domain-specific designs, simply by making proper choices in tokenization methods, modeling approaches, scan patterns, vocabulary design, and sampling strategies. We further analyze autoregressive models' learning and scaling behavior, revealing how larger models effectively capture more useful information than the smaller ones. Additionally, we explore the inherent differences between text and image modalities, highlighting the potential of LLMs across domains. The exploration provides valuable insights to inspire more effective designs when applying LLMs to other domains. With extensive experiments, our proposed model, **ELM** achieves an FID of 1.54 on 256$\times$256 ImageNet and an FID of 3.29 on 512$\times$512 ImageNet, demonstrating the powerful generative potential of LLMs in vision tasks.

Optimization

Yutong He, Pengrui Li, Yipeng Hu, Chuyan Chen, Kun Yuan

Subspace optimization algorithms, such as GaLore (Zhao et al., 2024), have gained attention for pre-training and fine-tuning large language models (LLMs) due to their memory efficiency. However, their convergence guarantees remain unclear, particularly in stochastic settings. In this paper, we reveal that GaLore does not always converge to the optimal solution and provide an explicit counterexample to support this finding. We further explore the conditions under which GaLore achieves convergence, showing that it does so when either (i) a sufficiently large mini-batch size is used or (ii) the gradient noise is isotropic. More significantly, we introduce **GoLore** (**G**radient rand**o**m **Lo**w-**r**ank proj**e**ction), a novel variant of GaLore that provably converges in typical stochastic settings, even with standard batch sizes. Our convergence analysis extends naturally to other subspace optimization algorithms. Finally, we empirically validate our theoretical results and thoroughly test the proposed mechanisms. Codes are available at https://github.com/pkumelon/Golore.

Reinforcement Learning

Chi Zhang, Ziying Jia, George Atia, Sihong He, Yue Wang

Transfer reinforcement learning aims to derive a near-optimal policy for a target environment with limited data by leveraging abundant data from related source domains. However, it faces two key challenges: the lack of performance guarantees for the transferred policy, which can lead to undesired actions, and the risk of negative transfer when multiple source domains are involved. We propose a novel framework based on the pessimism principle, which constructs and optimizes a conservative estimation of the target domain’s performance. Our framework effectively addresses the two challenges by providing an optimized lower bound on target performance, ensuring safe and reliable decisions, and by exhibiting monotonic improvement with respect to the quality of the source domains, thereby avoiding negative transfer. We construct two types of conservative estimations, rigorously characterize their effectiveness, and develop efficient distributed algorithms with convergence guarantees. Our framework provides a theoretically sound and practically robust solution for transfer learning in reinforcement learning.

Probabilistic Methods · Graphical Models

Honghua Zhang, Meihua Dang, Benjie Wang, Stefano Ermon, Nanyun Peng, Guy Van den Broeck

Probabilistic Circuits (PCs) are tractable representations of probability distributions allowing for exact and efficient computation of likelihoods and marginals. Recent advancements have improved the scalability of PCs either by leveraging their sparse properties or through the use of tensorized operations for better hardware utilization. However, no existing method fully exploits both aspects simultaneously. In this paper, we propose a novel sparse and structured parameterization for the sum blocks in PCs. By replacing dense matrices with sparse Monarch matrices, we significantly reduce the memory and computation costs, enabling unprecedented scaling of PCs. From a theory perspective, our construction arises naturally from circuit multiplication; from a practical perspective, compared to previous efforts on scaling up tractable probabilistic models, our approach not only achieves state-of-the-art generative modeling performance on challenging benchmarks like Text8, LM1B and ImageNet, but also demonstrates superior scaling behavior, achieving the same performance with substantially less compute as measured by the number of floating-point operations (FLOPs) during training.

Deep Learning · Generative Models and Autoencoders

Anji Liu, Xuejie Liu, Dayuan Zhao, Mathias Niepert, Yitao Liang, Guy Van den Broeck

Non-autoregressive (NAR) generative models are valuable because they can handle diverse conditional generation tasks in a more principled way than their autoregressive (AR) counterparts, which are constrained by sequential dependency requirements. Recent advancements in NAR models, such as diffusion language models, have demonstrated superior performance in unconditional generation compared to AR models (e.g., GPTs) of similar sizes. However, such improvements do not always lead to improved conditional generation performance. We show that a key reason for this gap is the difficulty in generalizing to conditional probability queries unseen during training. As a result, strong unconditional generation performance does not guarantee high-quality conditional generation. This paper proposes Tractable Transformers (Tracformer), a Transformer-based generative model that is more robust to different conditional generation tasks. Unlike existing models that rely solely on global contextual features derived from full inputs, Tracformers incorporate a sparse Transformer encoder to capture both local and global contextual information. This information is routed through a decoder for conditional generation. Empirical results demonstrate that Tracformers achieve state-of-the-art conditional generation performance on text modeling compared to recent diffusion and AR model baselines.

Deep Learning · Large Language Models

Mauricio Soroco, Jialin Song, Mengzhou Xia, Kye Emond, Weiran Sun, Wuyang Chen

We present PDE-Controller, a framework that enables large language models (LLMs) to control systems governed by partial differential equations (PDEs). Traditional LLMs have excelled in commonsense reasoning but fall short in rigorous logical reasoning. While recent AI-for-math has made strides in pure mathematics, areas of applied mathematics, particularly PDEs, remain underexplored despite their significant real-world applications. Our approach enables LLMs to transform informal natural language instructions into formal specifications, and then execute reasoning and planning steps to improve the utility of PDE control. We build a holistic solution comprising datasets (both human-written cases and 2 million synthetic samples), math-reasoning models, and novel evaluation metrics, all of which require significant effort. Our PDE-Controller significantly outperforms the latest open-source and GPT models in reasoning, autoformalization, and program synthesis, achieving up to a 62% improvement in utility gain for PDE control. By bridging the gap between language generation and PDE systems, we demonstrate the potential of LLMs in addressing complex scientific and engineering challenges. We promise to release all data, model checkpoints, and code upon acceptance.

Theory · Learning Theory

Kazuto Fukuchi

We address the regression problem under the constraint of demographic parity, a commonly used fairness definition. Recent studies have revealed fair minimax optimal regression algorithms, the most accurate algorithms that adhere to the fairness constraint. However, these analyses are tightly coupled with specific data generation models. In this paper, we provide meta-theorems that can be applied to various situations to validate the fair minimax optimality of the corresponding regression algorithms. Furthermore, we demonstrate that fair minimax optimal regression can be achieved through post-processing methods, allowing researchers and practitioners to focus on improving conventional regression techniques, which can then be efficiently adapted for fair regression.

Reinforcement Learning

Juncheng Dong, Moyang Guo, Ethan Fang, Zhuoran Yang, Vahid Tarokh

Transformer models have achieved remarkable empirical successes, largely due to their in-context learning capabilities. Inspired by this, we explore training an autoregressive transformer for in-context reinforcement learning (ICRL). In this setting, we initially train a transformer on an offline dataset consisting of trajectories collected from various RL tasks, and then fix and use this transformer to create an action policy for new RL tasks. Notably, we consider the setting where the offline dataset contains trajectories sampled from suboptimal behavioral policies. In this case, standard autoregressive training corresponds to imitation learning and results in suboptimal performance. To address this, we propose the *Decision Importance Transformer* (DIT) framework, which emulates the actor-critic algorithm in an in-context manner. In particular, we first train a transformer-based value function that estimates the advantage functions of the behavior policies that collected the suboptimal trajectories. Then we train a transformer-based policy via a weighted maximum likelihood estimation loss, where the weights are constructed based on the trained value function to steer the suboptimal policies to the optimal ones. We conduct extensive experiments to test the performance of DIT on both bandit and Markov Decision Process problems. Our results show that DIT achieves superior performance, particularly when the offline dataset contains suboptimal historical data.

Theory · Reinforcement Learning and Planning

Bo Xue, Dake Bu, Ji Cheng, Yuanyu Wan, Qingfu Zhang

Reinforcement Learning (RL) with linear transition kernels and reward functions has recently attracted growing attention due to its computational efficiency and theoretical advancements. However, prior theoretical research in RL has primarily focused on single-objective problems, resulting in limited theoretical development for multi-objective reinforcement learning (MORL). To bridge this gap, we examine MORL under lexicographic reward structures, where rewards comprise $m$ hierarchically ordered objectives. In this framework, the agent the agent maximizes objectives sequentially, prioritizing the highest-priority objective before considering subsequent ones. We introduce the first MORL algorithm with provable regret guarantees. For any objective $i \in \\{1, 2, \ldots, m\\}$, our algorithm achieves a regret bound of $\widetilde{O}(\Lambda^i(\lambda) \cdot \sqrt{d^2H^4 K})$, where $\Lambda^i(\lambda) = 1 + \lambda + \cdots + \lambda^{i-1}$, $\lambda$ quantifies the trade-off between conflicting objectives, $d$ is the feature dimension, $H$ is the episode length, and $K$ is the number of episodes. Furthermore, our algorithm can be applied in the misspecified setting, where the regret bound for the $i$-th objective becomes $\widetilde{O}(\Lambda^i(\lambda)\cdot(\sqrt{d^2H^4K}+\epsilon dH^2K))$, with $\epsilon$ denoting the degree of misspecification.

Theory · Online Learning and Bandits

Sifan Yang, Yuanyu Wan, Peijia Li, Yibo Wang, Xiao Zhang, Zhewei Wei, Lijun Zhang

In this paper, we investigate the acceleration of adaptive subgradient methods through frequent directions (FD), a widely-used matrix sketching technique. The state-of-the-art regret bound exhibits a _linear_ dependence on the dimensionality $d$, leading to unsatisfactory guarantees for high-dimensional problems. Additionally, it suffers from an $O(\tau^2 d)$ time complexity per round, which scales quadratically with the sketching size $\tau$. To overcome these issues, we first propose an algorithm named FTSL, achieving a tighter regret bound that is independent of the dimensionality. The key idea is to integrate FD with adaptive subgradient methods under _the primal-dual framework_ and add the cumulative discarded information of FD back. To reduce its time complexity, we further utilize fast FD to expedite FTSL, yielding a better complexity of $O(\tau d)$ while maintaining the same regret bound. Moreover, to mitigate the computational cost for optimization problems involving matrix variables (e.g., training neural networks), we adapt FD to Shampoo, a popular optimization algorithm that accounts for the structure of decision, and give a novel analysis under _the primal-dual framework_. Our proposed method obtains an improved dimension-free regret bound. Experimental results have verified the efficiency and effectiveness of our approaches.

Deep Learning · Large Language Models

Zongmeng Zhang, Wengang Zhou, Jie Zhao, Houqiang Li

Despite the impressive capabilities of multimodal large language models (MLLMs) in vision-language tasks, they are prone to hallucinations in real-world scenarios. This paper investigates the hallucination phenomenon in MLLMs from the perspective of modality conflict. Unlike existing works focusing on the conflicts between model responses and inputs, we study the inherent conflicts in inputs from different modalities that place MLLMs in a dilemma and directly lead to hallucinations. We formally define the modality conflict and construct a dataset named Multimodal Modality Conflict (MMMC) to simulate this phenomenon in vision-language tasks. Three methods based on prompt engineering, supervised fine-tuning, and reinforcement learning are proposed to alleviate the hallucination caused by modality conflict. Extensive experiments are conducted on the MMMC dataset to analyze the merits and demerits of these methods. Our results show that the reinforcement learning method achieves the best performance in mitigating the hallucination under modality conflict, while the supervised fine-tuning method shows promising and stable performance. Our work sheds light on the unnoticed modality conflict that leads to hallucinations and provides more insights into the robustness of MLLMs.

Deep Learning · Foundation Models

Jiahao Chen, Bin Qin, Jiangmeng Li, Hao Chen, Bing Su

Long-tailed learning has garnered increasing attention due to its practical significance. Among the various approaches, the fine-tuning paradigm has gained considerable interest with the advent of foundation models. However, most existing methods primarily focus on leveraging knowledge from these models, overlooking the inherent biases introduced by the imbalanced training data they rely on. In this paper, we examine how such imbalances from pre-training affect long-tailed downstream tasks. Specifically, we find the imbalance biases inherited in foundation models on downstream task as parameter imbalance and data imbalance. During fine-tuning, we observe that parameter imbalance plays a more critical role, while data imbalance can be mitigated using existing re-balancing strategies. Moreover, we find that parameter imbalance cannot be effectively addressed by current re-balancing techniques, such as adjusting the logits, during training, unlike data imbalance. To tackle both imbalances simultaneously, we build our method on causal learning and view the incomplete semantic factor as the confounder, which brings spurious correlations between input samples and labels. To resolve the negative effects of this, we propose a novel backdoor adjustment method that learns the true causal effect between input samples and labels, rather than merely fitting the correlations in the data. Notably, we achieve an average performance increase of about 1.67% on each dataset.

Deep Learning · Generative Models and Autoencoders

Hao Chen, Yujin Han, Fangyi Chen, Xiang Li, Yidong Wang, Jindong Wang, Ze Wang, Zicheng Liu, Difan Zou, Bhiksha Raj

Recent advances in latent diffusion models have demonstrated their effectiveness for high-resolution image synthesis. However, the properties of the latent space from tokenizer for better learning and generation of diffusion models remain under-explored. Theoretically and empirically, we find that improved generation quality is closely tied to the latent distributions with better structure, such as the ones with fewer Gaussian Mixture modes and more discriminative features. Motivated by these insights, we propose MAETok, an autoencoder (AE) leveraging mask modeling to learn semantically rich latent space while maintaining reconstruction fidelity. Extensive experiments validate our analysis, demonstrating that the variational form of autoencoders is not necessary, and a discriminative latent space from AE alone enables state-of-the-art performance on ImageNet generation using only 128 tokens. MAETok achieves significant practical improvements, enabling a gFID of 1.69 with 76× faster training and 31× higher inference throughput for 512×512 generation. Our findings show that the structure of the latent space, rather than variational constraints, is crucial for effective diffusion models. Code and trained models will be released.

Reinforcement Learning

Jumman Hossain, Nirmalya Roy

Reinforcement learning (RL) in real-world tasks such as robotic navigation often encounters environments with asymmetric traversal costs, where actions like climbing uphill versus moving downhill incur distinctly different penalties, or transitions may become irreversible. While recent quasimetric RL methods relax symmetry assumptions, they typically do not explicitly account for path-dependent costs or provide rigorous safety guarantees. We introduce Quasi-Potential Reinforcement Learning (QPRL), a novel framework that explicitly decomposes asymmetric traversal costs into a path-independent potential function ($\Phi$) and a path-dependent residual ($\Psi$). This decomposition allows efficient learning and stable policy optimization via a Lyapunov-based safety mechanism. Theoretically, we prove that QPRL achieves convergence with improved sample complexity of $\tilde{O}(\sqrt{T})$, surpassing prior quasimetric RL bounds of $\tilde{O}(T)$. Empirically, our experiments demonstrate that QPRL attains state-of-the-art performance across various navigation and control tasks, significantly reducing irreversible constraint violations by approximately $4\times$ compared to baselines.

Reinforcement Learning · Batch/Offline

Brahma Pavse, Yudong Chen, Qiaomin Xie, Josiah Hanna

In reinforcement learning, offline value function learning is the procedure of using an offline dataset to estimate the expected discounted return from each state when taking actions according to a fixed target policy. The stability of this procedure, i.e., whether it converges to its fixed-point, critically depends on the representations of the state-action pairs. Poorly learned representations can make value function learning unstable, or even divergent. Therefore, it is critical to stabilize value function learning by explicitly shaping the state-action representations. Recently, the class of bisimulation-based algorithms have shown promise in shaping representations for control. However, it is still unclear if this class of methods can \emph{stabilize} value function learning. In this work, we investigate this question and answer it affirmatively. We introduce a bisimulation-based algorithm called kernel representations for offline policy evaluation (\textsc{krope}). \textsc{krope} uses a kernel to shape state-action representations such that state-action pairs that have similar immediate rewards and lead to similar next state-action pairs under the target policy also have similar representations. We show that \textsc{krope}: 1) learns stable representations and 2) leads to lower value error than baselines. Our analysis provides new theoretical insight into the stability properties of bisimulation-based methods and suggests that practitioners can use these methods to improve the stability and accuracy of offline evaluation of reinforcement learning agents.

Deep Learning · Foundation Models

Jingang QU, David Holzmüller, Gael Varoquaux, Marine Le Morvan

The long-standing dominance of gradient-boosted decision trees on tabular data is currently challenged by tabular foundation models using In-Context Learning (ICL): setting the training data as context for the test data and predicting in a single forward pass without parameter updates. While TabPFNv2 foundation model excels on tables with up to 10K samples, its alternating column- and row-wise attentions make handling large training sets computationally prohibitive. So, can ICL be effectively scaled and deliver a benefit for larger tables? We introduce TabICL, a tabular foundation model for classification, pretrained on synthetic datasets with up to 60K samples and capable of handling 500K samples on affordable resources. This is enabled by a novel two-stage architecture: a column-then-row attention mechanism to build fixed-dimensional embeddings of rows, followed by a transformer for efficient ICL. Across 200 classification datasets from the TALENT benchmark, TabICL is on par with TabPFNv2 while being systematically faster (up to 10 times), and significantly outperforms all other approaches. On 53 datasets with over 10K samples, TabICL surpasses both TabPFNv2 and CatBoost, demonstrating the potential of ICL for large data. Pretraining code, inference code, and pre-trained models are available at https://github.com/soda-inria/tabicl.

Applications · Computer Vision

Feng Wang, Yaodong Yu, Wei Shao, Yuyin Zhou, Alan Yuille, Cihang Xie

Since the introduction of Vision Transformer (ViT), patchification has long been regarded as a common image pre-processing approach for plain visual architectures. By compressing the spatial size of images, this approach can effectively shorten the token sequence and reduce the computational cost of ViT-like plain architectures. In this work, we aim to thoroughly examine the information loss caused by this patchification-based compressive encoding paradigm and how it affects visual understanding. We conduct extensive patch size scaling experiments and excitedly observe an intriguing scaling law in patchification: the models can consistently benefit from decreased patch sizes and attain improved predictive performance, until it reaches the minimum patch size of 1*1, i.e., pixel tokenization. This conclusion is broadly applicable across different vision tasks, various input scales, and diverse architectures such as ViT and the recent Mamba models. Moreover, as a by-product, we discover that with smaller patches, task-specific decoder heads become less critical for dense prediction. In the experiments, we successfully scale up the visual sequence to an exceptional length of 50,176 tokens, achieving a competitive test accuracy of 84.6% with a base-sized model on the ImageNet-1k benchmark. We hope this study can provide insights and theoretical foundations for future works of building non-compressive vision models.