arXiv subjects

Hanlin Zhu

Publications and source records attributed to Hanlin Zhu.

At least 19 recordsLinked to original sources

arXiv2026

DiscoLoop: Looping Discrete Embeddings and Continuous Hidden States for Multi-hop Reasoning

Large language models achieve strong performance on many reasoning tasks when allowed to externalize intermediate steps as Chain-of-Thought (CoT). However, many questions require the model to internalize the multi-step reasoning within a single forward pass before generating the answer. We study this challenge through two-hop reasoning, a representative task where the model must compose multiple pieces of parametric knowledge within a single forward pass. Standard non-recurrent Transformers suffer from a depth-local storage problem: facts learned in earlier layers are unavailable where second-hop retrieval happens. We found that Looped Transformers mitigate this issue by reusing the same memory, but still generalize imperfectly. We show that the remaining bottleneck is representational. In the two-hop reasoning task, the first loop often makes the correct bridge entity nearly perfectly decodable, yet the corresponding hidden state remains poorly aligned with the bridge token embedding. Surprisingly, an easy training-free realignment intervention nearly closes the generalization gap. Building upon this insight, we propose DiscoLoop, a looping architecture whose recurrence carries both a discrete embedding channel and a continuous hidden-state channel. DiscoLoop achieves near-perfect accuracy with substantially fewer training steps across symbolic and synthetic-language multi-hop reasoning tasks. When applied to real-world pretraining, DiscoLoop attains lower training loss and stronger benchmark performance than looped-transformer baselines, suggesting that the mixed-channel design transfers to practical language modeling.

cs.CL↗

arXiv2026

Transformers Provably Learn to Internalize Chain-of-Thought

Chain-of-Thought (CoT) prompting substantially improves the sample efficiency of transformers, reducing the complexity of tasks like parity learning from exponential to polynomial in the input length. However, generating explicit reasoning steps at inference is computationally expensive. Implicit Chain-of-Thought (ICoT) has emerged as a promising empirical remedy that trains models to internalize intermediate steps within their hidden states, but its theoretical foundations remain poorly understood. We give the first theoretical analysis of ICoT, proving that an $L$-layer transformer trained under our proposed Log-ICoT curriculum learns $k$-parity with $\mathsf{poly}(n)$ samples and $L = \log_2 k$ training stages. This matches the sample efficiency of explicit CoT while eliminating its inference overhead, and extends prior one-layer parity guarantees to multi-layer architectures. Compared to standard ICoT, which removes thinking tokens one at a time, Log-ICoT removes them in geometric chunks, reducing the number of stages from linear in $k$ to logarithmic. Experiments on multi-layer transformers confirm the theory and visualize how reasoning is progressively absorbed into deeper layers.

cs.LG↗

arXiv2026

Multi-Objective Learning for Diffusion Models: A Statistical Theory under Semi-Supervised Learning

Diffusion models are increasingly used as powerful conditional generators, yet real deployments often involve multiple target distributions arising from different tasks, e.g., diverse prompt domains in text-to-image generation, or multiple environments in robotics with diffusion policies. This naturally leads to a multi-objective learning (MOL) problem. A key challenge is that achieving good Pareto trade-offs can require a generalist model class with substantially larger capacity than what suffices for solving any individual task, thereby increasing statistical cost since sample complexity typically scales with the model complexity. To reconcile this, we develop a principled MOL framework for diffusion models with limited data: a semi-supervised regime where paired (labeled) samples are scarce, but (unlabeled) condition data are abundant. We propose a two-stage training procedure that first fits lightweight specialist models from limited paired data, and then distills them into a generalist model by generating pseudo-samples. We establish generalization bounds showing that the required number of paired samples only depends on the complexity of the specialist model classes. We further extend the theory to diffusion policies for sequential decision making to account for distribution shift in on-policy rollouts. Extensive experiments on robotic control and image restoration tasks are conducted to verify our theoretical results.

cs.LG↗

arXiv2026

CopT: Contrastive On-Policy Thinking with Continuous Spaces for General and Agentic Reasoning

Chain-of-thought (CoT) is a standard approach for eliciting reasoning capabilities from large language models (LLMs). However, the common CoT paradigm treats thinking as a prerequisite for answering, which can delay access to plausible answers and incur unnecessary token costs even when the model is able to identify an answer before extended thinking, a behavior known as performative reasoning. In this paper, we introduce CopT, a reformulated reasoning pipeline that reverses the usual order of thinking and answering. Instead of thinking before answering, CopT first elicits a draft answer and then invokes subsequent on-policy thinking conditioned on its own draft answer for reflection and correction. To assess whether the draft answer should be trusted, CopT recasts continuous embeddings as inference-time contrastive verifiers. Specifically, it contrasts the model's support for the same generated tokens under discrete-token inputs and continuous-embedding inputs, yielding a sequence-level reverse KL estimator for answer reliability. Our analysis shows that under certain assumptions, the expected estimate equals the mutual information between the unresolved latent state and the emitted answer token, explaining why it captures answer-relevant uncertainty rather than arbitrary uncertainty in the latent state. When the answer is deemed insufficiently reliable, CopT performs further on-policy thinking, where a second KL estimator dynamically controls draft-answer visibility, preserving useful partial information while reducing the risk of being misled by unreliable content. Across mathematics, coding, and agentic reasoning tasks, CopT improves peak accuracy by up to 23% and reduces token usage by up to 57% at comparable or higher accuracy, without any additional training. The code is available at https://github.com/sdc17/CopT.

cs.CL↗

arXiv2026

Breaking the Reversal Curse in Autoregressive Language Models via Identity Bridge

Autoregressive large language models (LLMs) have achieved remarkable success in many complex tasks, yet they can still fail in very simple logical reasoning such as the "reversal curse" -- when trained on forward knowledge data of the form "$A \rightarrow B$" (e.g., Alice's husband is Bob), the model is unable to deduce the reversal knowledge "$B \leftarrow A$" (e.g., Bob's wife is Alice) during test. Extensive prior research suggests that this failure is an inherent, fundamental limit of autoregressive causal LLMs, indicating that these models tend to memorize factual-level knowledge rather than capture higher-level rules. In this paper, we challenge this view by showing that this seemingly fundamental limit can be mitigated by slightly tweaking the training data with a simple regularization data recipe called the Identity Bridge of the form "$A \to A$" (e.g., The name of Alice is Alice). Theoretically, we prove that under this recipe, even a one-layer transformer can break the reversal curse by analyzing the implicit bias of gradient descent. Empirically, we show that a 1B pretrained language model finetuned with the proposed data recipe achieves a 50% success rate on reversal tasks, in stark contrast to a near-zero success rate when trained solely on forward-knowledge data. Our work provides a novel theoretical foundation for the reversal curse and offers a principled, low-cost path to encouraging LLMs to learn higher-level rules from data.

cs.AI↗

arXiv2025

Emergence of Superposition: Unveiling the Training Dynamics of Chain of Continuous Thought

Previous work shows that the chain of continuous thought (continuous CoT) improves the reasoning capability of large language models (LLMs) by enabling implicit parallel thinking, and a subsequent work provided theoretical insight by showing that a two-layer transformer equipped with continuous CoT can efficiently solve directed graph reachability by maintaining a superposition of multiple reasoning traces in the continuous thought. However, it remains unclear how the superposition mechanism is naturally learned from gradient-based training methods. To fill this gap, we theoretically analyze the training dynamics of a simplified two-layer transformer on the directed graph reachability problem to unveil how the superposition mechanism emerges during training in two training stages -- (i) a thought-generation stage that autoregressively expands the continuous thought, and (ii) a prediction stage that converts the thought into the final answer. Our analysis reveals that during training using continuous thought, the index-matching logit, an important quantity which reflects the strength of the model's local search ability, will first increase and then remain bounded under mild assumptions. The bounded index-matching logit effectively balances exploration and exploitation during the reasoning process: the model will exploit local problem structures to identify plausible search traces, and assign comparable weights to multiple such traces to explore when it is uncertain about which solution is correct, which results in superposition. Our experimental results tracking the growth of logits further validate our theory.

cs.LG↗

arXiv2025

GSM-Agent: Understanding Agentic Reasoning Using Controllable Environments

As LLMs are increasingly deployed as agents, agentic reasoning - the ability to combine tool use, especially search, and reasoning - becomes a critical skill. However, it is hard to disentangle agentic reasoning when evaluated in complex environments and tasks. Current agent benchmarks often mix agentic reasoning with challenging math reasoning, expert-level knowledge, and other advanced capabilities. To fill this gap, we build a novel benchmark, GSM-Agent, where an LLM agent is required to solve grade-school-level reasoning problems, but is only presented with the question in the prompt without the premises that contain the necessary information to solve the task, and needs to proactively collect that information using tools. Although the original tasks are grade-school math problems, we observe that even frontier models like GPT-5 only achieve 67% accuracy. To understand and analyze the agentic reasoning patterns, we propose the concept of agentic reasoning graph: cluster the environment's document embeddings into nodes, and map each tool call to its nearest node to build a reasoning path. Surprisingly, we identify that the ability to revisit a previously visited node, widely taken as a crucial pattern in static reasoning, is often missing for agentic reasoning for many models. Based on the insight, we propose a tool-augmented test-time scaling method to improve LLM's agentic reasoning performance by adding tools to encourage models to revisit. We expect our benchmark and the agentic reasoning framework to aid future studies of understanding and pushing the boundaries of agentic reasoning.

cs.AI↗

arXiv2025

Generalization or Hallucination? Understanding Out-of-Context Reasoning in Transformers

Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.

cs.CL↗

arXiv2025

Auditing Black-Box LLM APIs with a Rank-Based Uniformity Test

As API access becomes a primary interface to large language models (LLMs), users often interact with black-box systems that offer little transparency into the deployed model. To reduce costs or maliciously alter model behaviors, API providers may discreetly serve quantized or fine-tuned variants, which can degrade performance and compromise safety. Detecting such substitutions is difficult, as users lack access to model weights and, in most cases, even output logits. To tackle this problem, we propose a rank-based uniformity test that can verify the behavioral equality of a black-box LLM to a locally deployed authentic model. Our method is accurate, query-efficient, and avoids detectable query patterns, making it robust to adversarial providers that reroute or mix responses upon the detection of testing attempts. We evaluate the approach across diverse threat scenarios, including quantization, harmful fine-tuning, jailbreak prompts, and full model substitution, showing that it consistently achieves superior statistical power over prior methods under constrained query budgets.

cs.CR↗

arXiv2025

Reasoning by Superposition: A Theoretical Perspective on Chain of Continuous Thought

Large Language Models (LLMs) have demonstrated remarkable performance in many applications, including challenging reasoning problems via chain-of-thoughts (CoTs) techniques that generate ``thinking tokens'' before answering the questions. While existing theoretical works demonstrate that CoTs with discrete tokens boost the capability of LLMs, recent work on continuous CoTs lacks a theoretical understanding of why it outperforms discrete counterparts in various reasoning tasks such as directed graph reachability, a fundamental graph reasoning problem that includes many practical domain applications as special cases. In this paper, we prove that a two-layer transformer with $D$ steps of continuous CoTs can solve the directed graph reachability problem, where $D$ is the diameter of the graph, while the best known result of constant-depth transformers with discrete CoTs requires $O(n^2)$ decoding steps where $n$ is the number of vertices ($D<n$). In our construction, each continuous thought vector is a superposition state that encodes multiple search frontiers simultaneously (i.e., parallel breadth-first search (BFS)), while discrete CoTs must choose a single path sampled from the superposition state, which leads to sequential search that requires many more steps and may be trapped into local solutions. We also performed extensive experiments to verify that our theoretical construction aligns well with the empirical solution obtained via training dynamics. Notably, encoding of multiple search frontiers as a superposition state automatically emerges in training continuous CoTs, without explicit supervision to guide the model to explore multiple paths simultaneously.

cs.LG↗

arXiv2025

How Do LLMs Perform Two-Hop Reasoning in Context?

``Socrates is human. All humans are mortal. Therefore, Socrates is mortal.'' This form of argument illustrates a typical pattern of two-hop reasoning. Formally, two-hop reasoning refers to the process of inferring a conclusion by making two logical steps, each connecting adjacent concepts, such that the final conclusion depends on the integration of both steps. It is one of the most fundamental components of human reasoning and plays a crucial role in both formal logic and everyday decision-making. Despite recent progress in large language models (LLMs), we surprisingly find that they can fail at solving simple two-hop reasoning problems when distractors are present. We observe on a synthetic dataset that pre-trained LLMs often resort to random guessing among all plausible conclusions. However, after few steps of fine-tuning, models achieve near-perfect accuracy and exhibit strong length generalization. To understand the underlying mechanisms, we train a 3-layer Transformer from scratch on a synthetic two-hop reasoning task and reverse-engineer its internal information flow. We observe a clear progression in the attention logits throughout training. This pictures a sharp phase transition from an initial stage of random guessing to the emergence of a structured sequential query mechanism, where the model first retrieves the preceding and the bridge concepts in the early layers and then uses them to infer the final answer. Finally, we show that these dynamics can be captured by a minimal three-parameter attention-only network.

cs.CL↗

arXiv2025

Safe Learning Under Irreversible Dynamics via Asking for Help

Most learning algorithms with formal regret guarantees essentially rely on trying all possible behaviors, which is problematic when some errors cannot be recovered from. Instead, we allow the learning agent to ask for help from a mentor and to transfer knowledge between similar states. We show that this combination enables the agent to learn both safely and effectively. Under standard online learning assumptions, we provide an algorithm whose regret and number of mentor queries are both sublinear in the time horizon for Markov decision processes with irreversible dynamics and infinite state spaces. Our proof involves a sequence of three reductions, making our result more general than a single algorithm. Conceptually, our result may be the first formal proof that it is possible for an agent to obtain high reward while becoming self-sufficient in an unknown, unbounded, and high-stakes environment without resets.

cs.LG↗

arXiv2025

Token Assorted: Mixing Latent and Text Tokens for Improved Language Model Reasoning

Large Language Models (LLMs) excel at reasoning and planning when trained on chainof-thought (CoT) data, where the step-by-step thought process is explicitly outlined by text tokens. However, this results in lengthy inputs where many words support textual coherence rather than core reasoning information, and processing these inputs consumes substantial computation resources. In this work, we propose a hybrid representation of the reasoning process, where we partially abstract away the initial reasoning steps using latent discrete tokens generated by VQ-VAE, significantly reducing the length of reasoning traces. We explore the use of latent trace abstractions in two scenarios: 1) training the model from scratch for the Keys-Finding Maze problem, 2) fine-tuning LLMs on this hybrid data with an extended vocabulary including unseen latent tokens, for both logical and mathematical reasoning problems. To facilitate effective learning, we introduce a simple training procedure that randomly mixes latent and text tokens, which enables fast adaptation to new latent tokens. Our approach consistently outperforms the baselines methods in various benchmarks.

cs.CL↗

arXiv2024

Towards a Theoretical Understanding of the 'Reversal Curse' via Training Dynamics

Auto-regressive large language models (LLMs) show impressive capacities to solve many complex reasoning tasks while struggling with some simple logical reasoning tasks such as inverse search: when trained on '$A \to B$' (e.g., 'Tom is the parent of John'), LLM fails to directly conclude '$B \gets A$' (e.g., 'John is the child of Tom') during inference even if the two sentences are semantically identical, which is known as the 'reversal curse'. In this paper, we theoretically analyze the reversal curse via the training dynamics of (stochastic) gradient descent for two auto-regressive models: (1) a bilinear model that can be viewed as a simplification of a one-layer transformer; (2) one-layer transformers under certain assumptions. Our analysis reveals that for both models, the reversal curse is a consequence of the (effective) model weights 'asymmetry', i.e., the increase of weights from a token $A$ to token $B$ during training does not necessarily cause the increase of the weights from $B$ to $A$, which is caused by the training dynamics under certain choice of loss function and the optimization space of model parameters. Moreover, our analysis can be naturally applied to other logical reasoning tasks such as chain-of-thought (COT), which provides a new perspective different from previous work that focuses on expressivity. Finally, we conduct experiments to validate our theory on multi-layer transformers under different settings. Our code is available at https://github.com/marlo-z/reversal_curse_analysis/.

cs.LG↗

arXiv2024

Avoiding Catastrophe in Online Learning by Asking for Help

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.

cs.LG↗

arXiv2024

Efficient Prompt Caching via Embedding Similarity

Large language models (LLMs) have achieved huge success in numerous natural language process (NLP) tasks. However, it faces the challenge of significant resource consumption during inference. In this paper, we aim to improve the inference efficiency of LLMs by prompt caching, i.e., if the current prompt can be answered by the same response of a previous prompt, one can directly utilize that previous response without calling the LLM. Specifically, we focus on the prediction accuracy of prompt caching for single-round question-answering tasks via embedding similarity. The existing embeddings of prompts mostly focus on whether two prompts are semantically similar, which is not necessarily equivalent to whether the same response can answer them. Therefore, we propose a distillation-based method to fine-tune the existing embeddings for better caching prediction. Theoretically, we provide finite-sample guarantees for the convergence of our method under different types of loss functions. Empirically, we carefully construct a hard dataset based on Kwiatkowski et al. (2019) where the existing embedding model (Wang et al., 2022) only achieves an AUC of 0.51. We then fine-tune the above embedding model, which significantly improves the AUC of caching prediction from 0.51 to 0.81. We also conduct simulations demonstrating that our trained models achieve better caching efficiency than the previous embedding model.

cs.CL↗

arXiv2023

Towards Optimal Statistical Watermarking

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-offs between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in the general hypothesis testing setting and the minimax Type II error in the model-agnostic setting. In the common scenario where the output is a sequence of $n$ tokens, we establish nearly matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate of $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ highlights potentials for improvement from the rate of $h^{-2}$ in the previous works. Moreover, we formulate the robust watermarking problem where the user is allowed to perform a class of perturbations on the generated texts, and characterize the optimal Type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, which might be of interest for future works.

cs.LG↗

arXiv2023

End-to-end Story Plot Generator

Story plots, while short, carry most of the essential information of a full story that may contain tens of thousands of words. We study the problem of automatic generation of story plots, which includes story premise, character descriptions, plot outlines, etc. To generate a single engaging plot, existing plot generators (e.g., DOC (Yang et al., 2022a)) require hundreds to thousands of calls to LLMs (e.g., OpenAI API) in the planning stage of the story plot, which is costly and takes at least several minutes. Moreover, the hard-wired nature of the method makes the pipeline non-differentiable, blocking fast specialization and personalization of the plot generator. In this paper, we propose three models, $\texttt{OpenPlot}$, $\texttt{E2EPlot}$ and $\texttt{RLPlot}$, to address these challenges. $\texttt{OpenPlot}$ replaces expensive OpenAI API calls with LLaMA2 (Touvron et al., 2023) calls via careful prompt designs, which leads to inexpensive generation of high-quality training datasets of story plots. We then train an end-to-end story plot generator, $\texttt{E2EPlot}$, by supervised fine-tuning (SFT) using approximately 13000 story plots generated by $\texttt{OpenPlot}$. $\texttt{E2EPlot}$ generates story plots of comparable quality to $\texttt{OpenPlot}$, and is > 10$\times$ faster (1k tokens in only 30 seconds on average). Finally, we obtain $\texttt{RLPlot}$ that is further fine-tuned with RLHF on several different reward models for different aspects of story quality, which yields 60.0$\%$ winning rate against $\texttt{E2EPlot}$ along the aspect of suspense and surprise.

cs.CL↗