论文检索

Social Aspects · Accountability, Transparency, and Interpretability

Tao Tao, Darshil Doshi, Dayal Singh Kalra, Tianyu He, Maissam Barkeshli

Transformers excel at discovering patterns in sequential data, yet their fundamental limitations and learning mechanisms remain crucial topics of investigation. In this paper, we study the ability of Transformers to learn pseudo-random number sequences from linear congruential generators (LCGs), defined by the recurrence relation $x_{t+1} = a x_t + c \\;\mathrm{mod}\\; m$. We find that with sufficient architectural capacity and training data variety, Transformers can perform in-context prediction of LCG sequences with unseen moduli ($m$) and parameters ($a,c$). By analyzing the embedding layers and attention patterns, we uncover how Transformers develop algorithmic structures to learn these sequences in two scenarios of increasing complexity. First, we investigate how Transformers learn LCG sequences with unseen ($a, c$) but fixed modulus; and demonstrate successful learning up to $m = 2^{32}$. We find that models learn to factorize $m$ and utilize digit-wise number representations to make sequential predictions. In the second, more challenging scenario of unseen moduli, we show that Transformers can generalize to unseen moduli up to $m_{\text{test}} = 2^{16}$. In this case, the model employs a two-step strategy: first estimating the unknown modulus from the context, then utilizing prime factorizations to generate predictions. For this task, we observe a sharp transition in the accuracy at a critical depth $d= 3$. We also find that the number of in-context sequence elements needed to reach high accuracy scales sublinearly with the modulus.

Social Aspects · Safety

Benjamin Plaut, Hanlin Zhu, Stuart Russell

Most learning algorithms with formal regret guarantees assume that all mistakes are recoverable and essentially rely on trying all possible behaviors. This approach is problematic when some mistakes are *catastrophic*, i.e., irreparable. We propose an online learning problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff in each round represents the chance of avoiding catastrophe in that round and try to maximize the product of payoffs (the overall chance of avoiding catastrophe) while allowing a limited number of queries to a mentor. We also assume that the agent can transfer knowledge between similar inputs. We first show that in general, any algorithm either queries the mentor at a linear rate or is nearly guaranteed to cause catastrophe. However, in settings where the mentor policy class is learnable in the standard online model, we provide an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows. Although our focus is the product of payoffs, we provide matching bounds for the typical additive regret. Conceptually, if a policy class is learnable in the absence of catastrophic risk, it is learnable in the presence of catastrophic risk if the agent can ask for help.

Reinforcement Learning · Deep RL

Pengyi Li, Jianye Hao, Hongyao Tang, Yifu Yuan, Jinbin Qiao, Zibin Dong, Yan Zheng

Reward functions are crucial for policy learning. Large Language Models (LLMs), with strong coding capabilities and valuable domain knowledge, provide an automated solution for high-quality reward design. However, code-based reward functions require precise guiding logic and parameter configurations within a vast design space, leading to low optimization efficiency.To address the challenges,we propose an efficient automated reward design framework, called R*,which decomposes reward design into two parts: reward structure evolution and parameter alignment optimization. To design high-quality reward structures, R* maintains a reward function population and modularizes the functional components. LLMs are employed as the mutation operator, and module-level crossover is proposed to facilitate efficient exploration and exploitation.To design more efficient reward parameters, R* first leverages LLMs to generate multiple critic functions for trajectory comparison and annotation. Based on these critics, a voting mechanism is employed to collect the trajectory segments with high-confidence labels.These labeled segments are then used to refine the reward function parameters through preference learning.Experiments on diverse robotic control tasks demonstrate that R* outperforms strong baselines in both reward design efficiency and quality, surpassing human-designed reward functions.

Reinforcement Learning · Batch/Offline

Yifu Yuan, Zhenrui Zheng, Zibin Dong, Jianye Hao

Multi-objective Reinforcement Learning (MORL) seeks to develop policies that simultaneously optimize multiple conflicting objectives, but it requires extensive online interactions. Offline MORL provides a promising solution by training on pre-collected datasets to generalize to any preference upon deployment. However, real-world offline datasets are often conservatively and narrowly distributed, failing to comprehensively cover preferences, leading to the emergence of out-of-distribution (OOD) preference areas. Existing offline MORL algorithms exhibit poor generalization to OOD preferences, resulting in policies that do not align with preferences. Leveraging the excellent expressive and generalization capabilities of diffusion models, we propose MODULI (Multi-objective Diffusion Planner with Sliding Guidance), which employs a preference-conditioned diffusion model as a planner to generate trajectories that align with various preferences and derive action for decision-making. To achieve accurate generation, MODULI introduces two return normalization methods under diverse preferences for refining guidance. To further enhance generalization to OOD preferences, MODULI proposes a novel sliding guidance mechanism, which involves training an additional slider adapter to capture the direction of preference changes. Incorporating the slider, it transitions from in-distribution (ID) preferences to generating OOD preferences, patching, and extending the incomplete Pareto front. Extensive experiments on the D4MORL benchmark demonstrate that our algorithm outperforms state-of-the-art Offline MORL baselines, exhibiting excellent generalization to OOD preferences.

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.