Simon Du

Haoyuan Cai, Tengyu Ma, Simon Du · stanford

We revisit the incremental autonomous exploration problem proposed by Lim & Auer (2012). In this setting, the agent aims to learn a set of near-optimal goal-conditioned policies to reach the $L$-controllable states: states that are incrementally reachable from an initial state $s_0$ within $L$ steps in expectation. We introduce a new algorithm with stronger sample complexity bounds than existing ones. Furthermore, we also prove the first lower bound for the autonomous exploration problem. In particular, the lower bound implies that our proposed algorithm, Value-Aware Autonomous Exploration, is nearly minimax-optimal when the number of $L$-controllable states grows polynomially with respect to $L$. Key in our algorithm design is a connection between autonomous exploration and multi-goal stochastic shortest path, a new problem that naturally generalizes the classical stochastic shortest path problem. This new problem and its connection to autonomous exploration can be of independent interest.

Yuandong Tian, Yiping Wang, Zhenyu Zhang et al.

We propose Joint MLP/Attention (JoMA) dynamics, a novel mathematical framework to understand the training procedure of multilayer Transformer architectures. This is achieved by integrating out the self-attention layer in Transformers, producing a modified dynamics of MLP layers only. JoMA removes unrealistic assumptions in previous analysis (e.g., lack of residual connection) and predicts that the attention first becomes sparse (to learn salient tokens), then dense (to learn less salient tokens) in the presence of nonlinear activations, while in the linear case, it is consistent with existing works that show attention becomes sparse over time. We leverage JoMA to qualitatively explains how tokens are combined to form hierarchies in multilayer Transformers, when the input tokens are generated by a latent hierarchical generative model. Experiments on models trained from real-world dataset (Wikitext2/Wikitext103) and various pre-trained models (OPT, Pythia) verify our theoretical findings. Code can be found in https://github.com/facebookresearch/luckmatters/tree/yuandong3.

Liming Liu, Zixuan Zhang, Simon Du et al.

Recent advances in deep learning optimization have unveiled two intriguing phenomena under large learning rates: Edge of Stability (EoS) and Progressive Sharpening (PS), challenging classical Gradient Descent (GD) analyses. Current research approaches, using either generalist frameworks or minimalist examples, face significant limitations in explaining these phenomena. This paper advances the minimalist approach by introducing a two-layer network with a two-dimensional input, where one dimension is relevant to the response and the other is irrelevant. Through this model, we rigorously prove the existence of progressive sharpening and self-stabilization under large learning rates, and establish non-asymptotic analysis of the training dynamics and sharpness along the entire GD trajectory. Besides, we connect our minimalist example to existing works by reconciling the existence of a well-behaved ``stable set" between minimalist and generalist analyses, and extending the analysis of Gradient Flow Solution sharpness to our two-dimensional input scenario. These findings provide new insights into the EoS phenomenon from both parameter and input data distribution perspectives, potentially informing more effective optimization strategies in deep learning practice.

Rui Lu, Yang Yue, Andrew Zhao et al. · tsinghua

Multitask Representation Learning (MRL) has emerged as a prevalent technique to improve sample efficiency in Reinforcement Learning (RL). Empirical studies have found that training agents on multiple tasks simultaneously within online and transfer learning environments can greatly improve efficiency. Despite its popularity, a comprehensive theoretical framework that elucidates its operational efficacy remains incomplete. Prior analyses have predominantly assumed that agents either possess a pre-known representation function or utilize functions from a linear class, where both are impractical. The complexity of real-world applications typically requires the use of sophisticated, non-linear functions such as neural networks as representation function, which are not pre-existing but must be learned. Our work tries to fill the gap by extending the analysis to \textit{unknown non-linear} representations, giving a comprehensive analysis for its mechanism in online and transfer learning setting. We consider the setting that an agent simultaneously playing $M$ contextual bandits (or MDPs), developing a shared representation function $φ$ from a non-linear function class $Φ$ using our novel Generalized Functional Upper Confidence Bound algorithm (GFUCB). We formally prove that this approach yields a regret upper bound that outperforms the lower bound associated with learning $M$ separate tasks, marking the first demonstration of MRL's efficacy in a general function class. This framework also explains the contribution of representations to transfer learning when faced with new, yet related tasks, and identifies key conditions for successful transfer. Empirical experiments further corroborate our theoretical findings.

Yifang Chen, David Zhu, Simon Du et al.

Recent advances in large language model (LLM) training have highlighted the need for diverse, high-quality instruction data. Recently, many works are exploring synthetic data generation using LLMs. However, they primarily focus on prompt engineering with standard supervised instruction-finetuned models, which contains a fundamental limitation: these models are optimized for general question-answering/problem-solving rather than data generation. We propose a paradigm shift named \textbf{NOMAD} by investigating how to specifically train models for data generation, demonstrating that this task differs significantly from training a classical LM. We identify two key factors: no-prompt-masked training and proper training set size selection. Our method, NOMAD, shows substantial improvements over baselines, achieving >4\% gains in TriviaQA and >2\% in GSM8K with limited training data. Finally, we offer new insights by interpreting synthetic data through the lenses of "relevance" and "novelty".

Yuandong Tian, Yiping Wang, Beidi Chen et al.

Transformer architecture has shown impressive performance in multiple research domains and has become the backbone of many neural network models. However, there is limited understanding on how it works. In particular, with a simple predictive loss, how the representation emerges from the gradient \emph{training dynamics} remains a mystery. In this paper, for 1-layer transformer with one self-attention layer plus one decoder layer, we analyze its SGD training dynamics for the task of next token prediction in a mathematically rigorous manner. We open the black box of the dynamic process of how the self-attention layer combines input tokens, and reveal the nature of underlying inductive bias. More specifically, with the assumption (a) no positional encoding, (b) long input sequence, and (c) the decoder layer learns faster than the self-attention layer, we prove that self-attention acts as a \emph{discriminative scanning algorithm}: starting from uniform attention, it gradually attends more to distinct key tokens for a specific next token to be predicted, and pays less attention to common key tokens that occur across different next tokens. Among distinct tokens, it progressively drops attention weights, following the order of low to high co-occurrence between the key and the query token in the training set. Interestingly, this procedure does not lead to winner-takes-all, but decelerates due to a \emph{phase transition} that is controllable by the learning rates of the two layers, leaving (almost) fixed token combination. We verify this \textbf{\emph{scan and snap}} dynamics on synthetic and real-world data (WikiText).

Xiaoxia Wu, Yuege Xie, Simon Du et al.

We propose a computationally-friendly adaptive learning rate schedule, "AdaLoss", which directly uses the information of the loss function to adjust the stepsize in gradient descent methods. We prove that this schedule enjoys linear convergence in linear regression. Moreover, we provide a linear convergence guarantee over the non-convex regime, in the context of two-layer over-parameterized neural networks. If the width of the first-hidden layer in the two-layer networks is sufficiently large (polynomially), then AdaLoss converges robustly \emph{to the global minimum} in polynomial time. We numerically verify the theoretical results and extend the scope of the numerical experiments by considering applications in LSTM models for text clarification and policy gradients for control problems.

Zhenggang Tang, Chao Yu, Boyuan Chen et al.

We propose a simple, general and effective technique, Reward Randomization for discovering diverse strategic policies in complex multi-agent games. Combining reward randomization and policy gradient, we derive a new algorithm, Reward-Randomized Policy Gradient (RPG). RPG is able to discover multiple distinctive human-interpretable strategies in challenging temporal trust dilemmas, including grid-world games and a real-world game Agar.io, where multiple equilibria exist but standard multi-agent policy gradient algorithms always converge to a fixed one with a sub-optimal payoff for every player even using state-of-the-art exploration techniques. Furthermore, with the set of diverse strategies from RPG, we can (1) achieve higher payoffs by fine-tuning the best policy from the set; and (2) obtain an adaptive agent by using this set of strategies as its training opponents. The source code and example videos can be found in our website: https://sites.google.com/view/staghuntrpg.

Yi Wu, Siddharth Srivastava, Nicholas Hay et al.

Despite the recent successes of probabilistic programming languages (PPLs) in AI applications, PPLs offer only limited support for random variables whose distributions combine discrete and continuous elements. We develop the notion of measure-theoretic Bayesian networks (MTBNs) and use it to provide more general semantics for PPLs with arbitrarily many random variables defined over arbitrary measure spaces. We develop two new general sampling algorithms that are provably correct under the MTBN framework: the lexicographic likelihood weighting (LLW) for general MTBNs and the lexicographic particle filter (LPF), a specialized algorithm for state-space models. We further integrate MTBNs into a widely used PPL system, BLOG, and verify the effectiveness of the new inference algorithms through representative examples.

Yining Wang, Simon Du, Sivaraman Balakrishnan et al.

We consider the problem of optimizing a high-dimensional convex function using stochastic zeroth-order queries. Under sparsity assumptions on the gradients or function values, we present two algorithms: a successive component/feature selection algorithm and a noisy mirror descent algorithm using Lasso gradient estimates, and show that both algorithms have convergence rates that de- pend only logarithmically on the ambient dimension of the problem. Empirical results confirm our theoretical findings and show that the algorithms we design outperform classical zeroth-order optimization methods in the high-dimensional setting.