How Do LLMs Perform Two-Hop Reasoning in Context?

"Socrates is human. All humans are mortal. Therefore, Socrates is mortal." This classical example demonstrates two-hop reasoning, where a conclusion logically follows from two connected premises. While transformer-based Large Language Models (LLMs) can make two-hop reasoning, they tend to collapse to random guessing when faced with distracting premises. To understand the underlying mechanism, we train a three-layer transformer on synthetic two-hop reasoning tasks. The training dynamics show two stages: a slow learning phase, where the 3-layer transformer performs random guessing like LLMs, followed by an abrupt phase transitions, where the 3-layer transformer suddenly reaches $100%$ accuracy. Through reverse engineering, we explain the inner mechanisms for how models learn to randomly guess between distractions initially, and how they learn to ignore distractions eventually. We further propose a three-parameter model that supports the causal claims for the mechanisms to the training dynamics of the transformer. Finally, experiments on LLMs suggest that the discovered mechanisms generalize across scales. Our methodologies provide new perspectives for scientific understandings of LLMs and our findings provide new insights into how reasoning emerges during training.

Fast Best-of-N Decoding via Speculative Rejection

The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures. Unfortunately, Best-of-N requires vastly more resources at inference time than standard decoding strategies, which makes it computationally not viable. In this work, we introduce Speculative Rejection, a computationally-viable inference-time alignment algorithm. It generates high-scoring responses according to a given reward model, like Best-of-N does, while being between 16 to 32 times more computationally efficient.

Simplicity Prevails: Rethinking Negative Preference Optimization for LLM Unlearning

In this work, we address the problem of large language model (LLM) unlearning, aiming to remove unwanted data influences and associated model capabilities (e.g., copyrighted data or harmful content generation) while preserving essential model utilities, without the need for retraining from scratch. Despite the growing need for LLM unlearning, a principled optimization framework remains lacking. To this end, we revisit the state-of-the-art approach, negative preference optimization (NPO), and identify the issue of reference model bias, which could undermine NPO's effectiveness, particularly when unlearning forget data of varying difficulty. Given that, we propose a simple yet effective unlearning optimization framework, called SimNPO, showing that 'simplicity' in removing the reliance on a reference model (through the lens of simple preference optimization) benefits unlearning. We also provide deeper insights into SimNPO's advantages, supported by analysis using mixtures of Markov chains. Furthermore, we present extensive experiments validating SimNPO's superiority over existing unlearning baselines in benchmarks like TOFU and MUSE, and robustness against relearning attacks. Codes are available at https://github.com/OPTML-Group/Unlearn-Simple.

Negative Preference Optimization: From Catastrophic Collapse to Effective Unlearning

Large Language Models (LLMs) often memorize sensitive, private, or copyrighted data during pre-training. LLM unlearning aims to eliminate the influence of undesirable data from the pre-trained model while preserving the model's utilities on other tasks. Several practical methods have recently been proposed for LLM unlearning, mostly based on gradient ascent (GA) on the loss of undesirable data. However, on certain unlearning tasks, these methods either fail to effectively unlearn the target data or suffer from catastrophic collapse -- a drastic degradation of the model's utilities. In this paper, we propose Negative Preference Optimization (NPO), a simple alignment-inspired method that could efficiently and effectively unlearn a target dataset. We theoretically show that the progression toward catastrophic collapse by minimizing the NPO loss is exponentially slower than GA. Through experiments on synthetic data and the benchmark TOFU dataset, we demonstrate that NPO-based methods achieve a better balance between unlearning the undesirable data and maintaining the model's utilities. We also observe that NPO-based methods generate more sensible outputs than GA-based methods, whose outputs are often gibberish. Remarkably, on TOFU, NPO-based methods are the first to achieve reasonable unlearning results in forgetting 50% (or more) of the training data, whereas existing methods already struggle with forgetting 10% of training data.

Is Offline Decision Making Possible with Only Few Samples? Reliable Decisions in Data-Starved Bandits via Trust Region Enhancement

What can an agent learn in a stochastic Multi-Armed Bandit (MAB) problem from a dataset that contains just a single sample for each arm? Surprisingly, in this work, we demonstrate that even in such a data-starved setting it may still be possible to find a policy competitive with the optimal one. This paves the way to reliable decision-making in settings where critical decisions must be made by relying only on a handful of samples. Our analysis reveals that \emph{stochastic policies can be substantially better} than deterministic ones for offline decision-making. Focusing on offline multi-armed bandits, we design an algorithm called Trust Region of Uncertainty for Stochastic policy enhancemenT (TRUST) which is quite different from the predominant value-based lower confidence bound approach. Its design is enabled by localization laws, critical radii, and relative pessimism. We prove that its sample complexity is comparable to that of LCB on minimax problems while being substantially lower on problems with very few samples. Finally, we consider an application to offline reinforcement learning in the special case where the logging policies are known.

In-Context Learning of a Linear Transformer Block: Benefits of the MLP Component and One-Step GD Initialization

We study the \emph{in-context learning} (ICL) ability of a \emph{Linear Transformer Block} (LTB) that combines a linear attention component and a linear multi-layer perceptron (MLP) component. For ICL of linear regression with a Gaussian prior and a \emph{non-zero mean}, we show that LTB can achieve nearly Bayes optimal ICL risk. In contrast, using only linear attention must incur an irreducible additive approximation error. Furthermore, we establish a correspondence between LTB and one-step gradient descent estimators with learnable initialization ($\mathsf{GD}\text{-}\mathbf{\beta}$), in the sense that every $\mathsf{GD}\text{-}\mathbf{\beta}$ estimator can be implemented by an LTB estimator and every optimal LTB estimator that minimizes the in-class ICL risk is effectively a $\mathsf{GD}\text{-}\mathbf{\beta}$ estimator. Finally, we show that $\mathsf{GD}\text{-}\mathbf{\beta}$ estimators can be efficiently optimized with gradient flow, despite a non-convex training objective. Our results reveal that LTB achieves ICL by implementing $\mathsf{GD}\text{-}\mathbf{\beta}$, and they highlight the role of MLP layers in reducing approximation error.

AutoPRM: Automating Procedural Supervision for Multi-Step Reasoning via Controllable Question Decomposition

Recent advancements in large language models (LLMs) have shown promise in multi-step reasoning tasks, yet their reliance on extensive manual labeling to provide procedural feedback remains a significant impediment. To address this challenge, in this paper, we propose a novel self-supervised framework AutoPRM that efficiently enhances the fine-tuning of LLMs for intricate reasoning challenges. Specifically, AutoPRM first decomposes complex problems into more manageable subquestions with a controllable granularity switch, then sequentially apply reinforcement learning to iteratively improve the subquestion solver. Additionally, we propose context-guided-decoding to avoid reward tampering and guide the subquestion solver towards the solution of the holistic problem. Extensive experiments show that AutoPRM significantly improves performance on mathematical and commonsense reasoning tasks over SOTA. More encouragingly, AutoPRM can be easily integrated with other orthogonal reasoning pipelines.

Spreeze: High-Throughput Parallel Reinforcement Learning Framework

The promotion of large-scale applications of reinforcement learning (RL) requires efficient training computation. While existing parallel RL frameworks encompass a variety of RL algorithms and parallelization techniques, the excessively burdensome communication frameworks hinder the attainment of the hardware's limit for final throughput and training effects on a single desktop. In this paper, we propose Spreeze, a lightweight parallel framework for RL that efficiently utilizes a single desktop hardware resource to approach the throughput limit. We asynchronously parallelize the experience sampling, network update, performance evaluation, and visualization operations, and employ multiple efficient data transmission techniques to transfer various types of data between processes. The framework can automatically adjust the parallelization hyperparameters based on the computing ability of the hardware device in order to perform efficient large-batch updates. Based on the characteristics of the "Actor-Critic" RL algorithm, our framework uses dual GPUs to independently update the network of actors and critics in order to further improve throughput. Simulation results show that our framework can achieve up to 15,000Hz experience sampling and 370,000Hz network update frame rate using only a personal desktop computer, which is an order of magnitude higher than other mainstream parallel RL frameworks, resulting in a 73% reduction of training time. Our work on fully utilizing the hardware resources of a single desktop computer is fundamental to enabling efficient large-scale distributed RL training.

Explicifying Neural Implicit Fields for Efficient Dynamic Human Avatar Modeling via a Neural Explicit Surface

This paper proposes a technique for efficiently modeling dynamic humans by explicifying the implicit neural fields via a Neural Explicit Surface (NES). Implicit neural fields have advantages over traditional explicit representations in modeling dynamic 3D content from sparse observations and effectively representing complex geometries and appearances. Implicit neural fields defined in 3D space, however, are expensive to render due to the need for dense sampling during volumetric rendering. Moreover, their memory efficiency can be further optimized when modeling sparse 3D space. To overcome these issues, the paper proposes utilizing Neural Explicit Surface (NES) to explicitly represent implicit neural fields, facilitating memory and computational efficiency. To achieve this, the paper creates a fully differentiable conversion between the implicit neural fields and the explicit rendering interface of NES, leveraging the strengths of both implicit and explicit approaches. This conversion enables effective training of the hybrid representation using implicit methods and efficient rendering by integrating the explicit rendering interface with a newly proposed rasterization-based neural renderer that only incurs a texture color query once for the initial ray interaction with the explicit surface, resulting in improved inference efficiency. NES describes dynamic human geometries with pose-dependent neural implicit surface deformation fields and their dynamic neural textures both in 2D space, which is a more memory-efficient alternative to traditional 3D methods, reducing redundancy and computational load. The comprehensive experiments show that NES performs similarly to previous 3D approaches, with greatly improved rendering speed and reduced memory cost.

Policy Finetuning in Reinforcement Learning via Design of Experiments using Offline Data

In some applications of reinforcement learning, a dataset of pre-collected experience is already available but it is also possible to acquire some additional online data to help improve the quality of the policy. However, it may be preferable to gather additional data with a single, non-reactive exploration policy and avoid the engineering costs associated with switching policies. In this paper we propose an algorithm with provable guarantees that can leverage an offline dataset to design a single non-reactive policy for exploration. We theoretically analyze the algorithm and measure the quality of the final policy as a function of the local coverage of the original dataset and the amount of additional data collected.