LLM Interpretability
LLM: Large Language Model
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57 papers in the last four weeks, up 73% on the four weeks before. 0.6% of all new papers.
Latest papers 546
Activation decomposition methods in language models are tightly coupled to geometric assumptions on how concepts are realized in activation space. Existing approaches search for individual global directions, implicitly assuming linear separability, which overlooks concepts with nonlinear or multi-dimensional structure. In this work, we leverage Mixture of Factor Analyzers (MFA) as a scalable, unsupervised alternative that models the activation space as a collection of Gaussian regions with their local covariance structure. MFA decomposes activations into two compositional geometric objects: the region's centroid in activation space, and the local variation from the centroid. We train large-scale MFAs for Llama-3.1-8B and Gemma-2-2B, and show they capture complex, nonlinear structures in activation space. Moreover, evaluations on localization and steering benchmarks show that MFA outperforms unsupervised baselines, is competitive with supervised localization methods, and often achieves stronger steering performance than sparse autoencoders. Together, our findings position local geometry, expressed through subspaces, as a promising unit of analysis for scalable concept discovery and model control, accounting for complex structures that isolated directions fail to capture.
There Is More to Refusal in Large Language Models than a Single Direction
Prior work argues that refusal in large language models is mediated by a single direction, enabling steering and abliteration. We show that this account is incomplete: across diverse refusal and non-compliance categories, refusal behaviors correspond to geometrically distinct directions in activation space. Yet activation steering along any refusal-related direction produces nearly identical refusal--over-refusal trade-offs, acting as a shared one-dimensional control knob. Thus, different directions primarily affect not whether the model refuses, but how it refuses. Using sparse autoencoders, we uncover a structured internal representation of refusal: a reusable core of shared refusal latents supplemented by style- and domain-specific latents. Linear interventions collapse this structure into uniform behavioral control, flattening mechanistic differences across refusal types. Our results reconcile the apparent simplicity of refusal steering with the diversity of refusal behaviors, and clarify the limits of linear interpretability for aligned model behavior.
Functional Subspace, where language models can use vector algebra to solve problems
Large language models (LLMs) were invented for natural language tasks such as translation, but they have proved that they can perform highly complex functions across domains. Additionally, they have been thought to develop new skills without being trained on them. These learning capabilities lead to LLMs adoption in a wide range of domains. Thus, it is imperative that we understand their operating mechanisms and limitations for proper diagnostics and repair. The earlier studies proposed that high level concepts are encoded as linear directions in LLMs activation space and that the geometry of embeddings have semantic meanings. Inspired by these studies, we hypothesize that LLMs may use subspaces and vector algebra in subspaces to perform tasks. To address this hypothesis, we analyze LLMs' functional modules and residual streams collected from LLMs engaging in in-context learning (ICL), one of the emergent abilities. Our analyses suggest that 1) LLMs can create subspaces, where evidence can be accumulated and 2) ICL tasks can be solved via simple algebraic operations in subspaces.
Understanding LLM Failures: A Multi-Tape Turing Machine Analysis of Systematic Errors in Language Model Reasoning
Large language models (LLMs) exhibit failure modes on seemingly trivial tasks. We propose a formalisation of LLM interaction using a deterministic multi-tape Turing machine, where each tape represents a distinct component: input characters, tokens, vocabulary, model parameters, activations, probability distributions, and output text. The model enables precise localisation of failure modes to specific pipeline stages, revealing, e.g., how tokenisation obscures character-level structure needed for counting tasks. The model clarifies why techniques like chain-of-thought prompting help, by externalising computation on the output tape, while also revealing their fundamental limitations. This approach provides a rigorous, falsifiable alternative to geometric metaphors and complements empirical scaling laws with principled error analysis.
YuFeng-XGuard: A Reasoning-Centric, Interpretable, and Flexible Guardrail Model for Large Language Models
As large language models (LLMs) are increasingly deployed in real-world applications, safety guardrails are required to go beyond coarse-grained filtering and support fine-grained, interpretable, and adaptable risk assessment. However, existing solutions often rely on rapid classification schemes or post-hoc rules, resulting in limited transparency, inflexible policies, or prohibitive inference costs. To this end, we present YuFeng-XGuard, a reasoning-centric guardrail model family designed to perform multi-dimensional risk perception for LLM interactions. Instead of producing opaque binary judgments, YuFeng-XGuard generates structured risk predictions, including explicit risk categories and configurable confidence scores, accompanied by natural language explanations that expose the underlying reasoning process. This formulation enables safety decisions that are both actionable and interpretable. To balance decision latency and explanatory depth, we adopt a tiered inference paradigm that performs an initial risk decision based on the first decoded token, while preserving ondemand explanatory reasoning when required. In addition, we introduce a dynamic policy mechanism that decouples risk perception from policy enforcement, allowing safety policies to be adjusted without model retraining. Extensive experiments on a diverse set of public safety benchmarks demonstrate that YuFeng-XGuard achieves stateof-the-art performance while maintaining strong efficiency-efficacy trade-offs. We release YuFeng-XGuard as an open model family, including both a full-capacity variant and a lightweight version, to support a wide range of deployment scenarios.
Tracing the Latent Threads: A Mechanistic Study of How LLMs Represent and Operationalize Race and Ethnicity Cues
Large language models (LLMs) increasingly operate in high-stakes settings where demographic attributes such as race and ethnicity may be explicitly stated or implicitly suggested through textual cues. However, existing studies primarily document outcome-level disparities, offering limited insight into internal mechanisms underlying these effects. We present a mechanistic study of how race and ethnicity cues are represented and operationalized within LLMs. Using two publicly available datasets spanning toxicity-related generation and clinical narrative understanding tasks, we analyze three open-source models with a reproducible interpretability pipeline combining probing, neuron-level attribution, and targeted intervention. We find that sensitivity to demographic cues is distributed across internal units and varies substantially across models. These units often align with entangled semantic facets, including explicit group labels, geography, language, culture, and associations related to stereotypes. Interventions on selected units can change some biased prediction patterns, but substantial residual effects remain, suggesting that effective mitigation requires understanding distributed, task-specific mechanisms rather than manipulating a small set of identified neurons alone. Code: https://github.com/LARK-NLP-Lab/LLM-Bias-Interpretability.
To Copy or Not to Copy: Copying Is Easier to Induce Than Recall
Language models used in retrieval-augmented settings must arbitrate between parametric knowledge stored in their weights and contextual information in the prompt. This work presents a mechanistic study of that choice by extracting an \emph{arbitration vector} from model activations on a curated dataset designed to disentangle (i) irrelevant contexts that elicit parametric recall and (ii) relevant but false contexts that elicit copying. The vector is computed as the residual-stream centroid difference between these regimes across 27 relations, and is injected as an additive intervention at selected layers and token spans to steer behavior in two directions: CopyRecall (suppressing context use) and RecallCopy (inducing the model to copy any token from the context). Experiments on three architectures (decoder-only and encoder/decoder) and two open-domain QA benchmarks show consistent behavior shifts under moderate scaling while monitoring accuracy and fluency. Mechanistic analyses of attention routing, MLP contributions, and layer-wise probability trajectories reveal an asymmetry: inducing copying is an easy
reactivation'' process that can be triggered at different locations in the input, while restoring recall is a suppression'' process that is more fragile and strongly tied to object-token interventions.Relational Linearity is a Predictor of Hallucinations
Hallucination is a central failure mode of language models (LMs). We focus on hallucinations in response to questions like: "Which instrument did Glenn Gould play?", but we ask these questions for synthetic entities designed to be unknown to the model. We find that LMs like Gemma-7B-IT frequently hallucinate, i.e., they have difficulty recognizing that the hallucinated fact is not part of their knowledge. Based on the idea of linear relational embeddings, we put forward the following hypothesis. (i) Due to the abstract scheme that is used to represent them, LMs can easily produce plausible objects for non-existing subjects of linear relations, which can lead to hallucinations. (ii) For nonlinear relations, this mechanism for producing an object is not available and so a hallucination is easier to avoid. To test this hypothesis, we create SynthHal, a synthetic unknown-entity benchmark for 15 relations. We find that across four instruction-tuned models, relational linearity is a strong predictor of models hallucinating an object for an unknown subject vs refusing to give an answer, with correlations . While this is not direct evidence for the hypothesized causal mechanism, it is suggestive and opens up a new line of inquiry into understanding LM hallucinations.
Spurious Rewards Paradox: Mechanistically Understanding How RLVR Activates Memorization Shortcuts in LLMs
Reinforcement Learning with Verifiable Rewards (RLVR) is highly effective for enhancing LLM reasoning, yet recent evidence shows models like Qwen 2.5 achieve significant gains even with spurious or incorrect rewards. We investigate this phenomenon and identify a "Perplexity Paradox": spurious RLVR triggers a divergence where answer-token perplexity drops while prompt-side coherence degrades, suggesting the model is bypassing reasoning in favor of memorization. Using Path Patching, Logit Lens, JSD analysis, and Neural Differential Equations, we uncover a hidden Anchor-Adapter circuit that facilitates this shortcut. We localize a Functional Anchor in the middle layers (L18-20) that triggers the retrieval of memorized solutions, followed by Structural Adapters in later layers (L21+) that transform representations to accommodate the shortcut signal. Finally, we demonstrate that scaling specific MLP keys within this circuit allows for bidirectional causal steering-artificially amplifying or suppressing contamination-driven performance. Our results provide a mechanistic roadmap for identifying and mitigating data contamination in RLVR-tuned models. Code is available at https://github.com/idwts/How-RLVR-Activates-Memorization-Shortcuts.
Triggering Chain-of-Thought via Latent Feature Interventions in Large Language Models
Chain-of-Thought (CoT) prompting often improves the reasoning performance of large language models (LLMs), but the internal signal that triggers this behavior remains poorly understood. Leveraging the sparse features captured by Sparse Autoencoders (SAEs), we propose a systematic framework to analyze and intervene on the internal representations of LLMs, identifying a small set of latent features that are linked to reasoning behavior and can be causally tested through targeted intervention. Across multiple model families and reasoning benchmarks, we show that steering one or a small number of reasoning-related latent features can substantially induce reasoning behavior without explicit CoT prompting, achieving accuracy comparable to CoT. We further show that the identified features are not tied to particular wording patterns or verbosity, and confirm their causal role in reasoning through suppression experiments that impair performance even under CoT prompting. These results suggest that CoT prompting activates specific latent features to trigger reasoning, and that targeted intervention on these features offers an alternative pathway to elicit efficient reasoning behavior without explicit CoT prompting. Code is available at https://github.com/Zhenghao-He/LatentCoT.
Bridging Mechanistic Interpretability and Prompt Engineering with Gradient Ascent for Interpretable Persona Control
Controlling emergent behavioral personas (e.g., sycophancy, hallucination) in Large Language Models (LLMs) is critical for AI safety, yet remains a persistent challenge. Existing solutions face a dilemma: manual prompt engineering is intuitive but unscalable and imprecise, while automatic optimization methods are effective but operate as "black boxes" with no interpretable connection to model internals. We propose a novel framework that adapts gradient ascent to LLMs, enabling targeted prompt discovery. In specific, we propose two methods, RESGA and SAEGA, that both optimize randomly initialized prompts to achieve better aligned representation with an identified persona direction. We introduce fluent gradient ascent to control the fluency of discovered persona steering prompts. We demonstrate RESGA and SAEGA's effectiveness across Llama 3.1, Qwen 2.5, and Gemma 3 for steering three different personas, sycophancy, hallucination, and myopic reward. Crucially, on sycophancy, our automatically discovered prompts achieve significant improvement (49.90% compared with 79.24%). By grounding prompt discovery in mechanistically meaningful features, our method offers a new paradigm for controllable and interpretable behavior modification. We release our scripts for RESGA and SAEGA in this github repo: https://github.com/HarshSaini10/RESGA_SAEGA.
Base Models Know How to Reason, Thinking Models Learn When
What do thinking language models learn during training that their base models lack? We first present an unsupervised method that discovers a model's reasoning behaviors by training small Sparse Autoencoders on sentence-level activations of reasoning traces, yielding interpretable reasoning taxonomies. Building on this, we introduce constructive model diffing, which aims to reconstruct the base-to-fine-tuned difference from interpretable components: reasoning mechanisms (category vectors that can induce a reasoning behavior in the base model) and reasoning heuristics (a classifier determining when a mechanism should fire). Across nine base/thinking pairs (four RL-trained, four SFT-distilled, one mixed), two independent findings agree: category vectors in the base model converge to far lower loss for taxonomies derived from purely RL-trained models, and hybrid models recover roughly 76% of the RL base-to-thinking gap but only 11% of the SFT gap. This indicates RL primarily teaches heuristics for orchestrating pre-existing base mechanisms, whereas SFT-distillation installs new ones, offering a new lens on what training paradigms teach, with implications for efficient reasoning-model development.
Vis-CoT: A Human-in-the-Loop Framework for Interactive Visualization and Intervention in LLM Chain-of-Thought Reasoning
Large language models (LLMs) show strong reasoning via chain-of-thought (CoT) prompting, but the process is opaque, which makes verification, debugging, and control difficult in high-stakes settings. We present Vis-CoT, a human-in-the-loop framework that converts linear CoT text into an interactive reasoning graph. Users can visualize the logical flow, identify flawed steps, and intervene by pruning incorrect paths and grafting new, user-defined premises. This shifts interaction from passive observation to active collaboration, steering models toward more accurate and trustworthy conclusions. Across GSM8K and StrategyQA, Vis-CoT improves final-answer accuracy by up to 24 percentage points over non-interactive baselines. A user study also shows large gains in perceived usability and trust. Vis-CoT points to a practical path for more reliable, understandable, and collaborative reasoning by combining LLMs with targeted human oversight.
Unraveling the cognitive patterns of Large Language Models through module communities
Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and utility, the underlying mechanisms of LLM remain concealed within billions of parameters and complex structures, making their inner architecture and cognitive processes challenging to comprehend. We address this gap by adopting approaches to understanding emerging cognition in biology and developing a network-based framework that links cognitive skills, LLM architectures, and datasets, ushering in a paradigm shift in foundation model analysis. The skill distribution in the module communities demonstrates that while LLMs do not strictly parallel the focalized specialization observed in specific biological systems, they exhibit unique communities of modules whose emergent skill patterns partially mirror the distributed yet interconnected cognitive organization seen in avian and small mammalian brains. Our numerical results highlight a key divergence from biological systems to LLMs, where skill acquisition benefits substantially from dynamic, cross-regional interactions and neural plasticity. By integrating cognitive science principles with machine learning, our framework provides new insights into LLM interpretability and suggests that effective fine-tuning strategies should leverage distributed learning dynamics rather than rigid modular interventions.
Sparse but Wrong: Incorrect L0 Leads to Incorrect Features in Sparse Autoencoders
Sparse Autoencoders (SAEs) extract features from LLM internal activations, meant to correspond to interpretable concepts. A core SAE training hyperparameter is L0: how many SAE features should fire per token on average. Existing work compares SAE algorithms using sparsity-reconstruction tradeoff plots, implying L0 is a free parameter with no inherently correct value aside from its effect on reconstruction. In this work we study the effect of L0 on SAEs, and show that if L0 is not set correctly, the SAE fails to disentangle the underlying features of the LLM. If L0 is too low, the SAE will mix correlated features to improve reconstruction. If L0 is too high, the SAE finds degenerate solutions that also mix features. Further, we present a proxy metric that can help guide the search for the correct L0 for an SAE on a given training distribution. We show that our method finds the correct L0 in toy models and coincides with peak sparse probing performance in LLM SAEs. We find that most commonly used SAEs have an L0 that is too low. Our work shows that practitioners must set L0 correctly to train SAEs with monosemantic features.
BiasGym: A Simple and Generalizable Framework for Analyzing and Removing Biases through Injection
Understanding biases and stereotypes encoded in the weights of Large Language Models (LLMs) is crucial for developing effective mitigation strategies. However, biased behavior is often subtle and non-trivial to isolate, even when deliberately elicited, making systematic analysis and debiasing particularly challenging. To address this, we introduce a simple, cost-effective, and generalizable framework \texttt{BiasGym} for reliably injecting, analyzing, and mitigating conceptual associations of biases within LLMs. \texttt{BiasGym} consists of two modules: \texttt{Inject}, which injects specific biases into the model via token-based fine-tuning while keeping the model frozen, followed by two debiasing methods that leverage these injected signals to identify and reliably suppress (\texttt{Scope}) or \texttt{Steer} the components responsible for biased behavior. Our framework enables consistent bias elicitation for better localization of bias conceptual association in the model space, supports targeted debiasing without degrading performance on downstream tasks, and generalizes to biases unseen during fine-tuning. We demonstrate the effectiveness of our proposed framework in reducing real-world stereotypes (e.g., people from Italy being `reckless drivers'), showing its utility for both safety interventions and interpretability research.
Too Categorical to be Human: Emotion Concepts in LLMs and Humans
Understanding human emotions is central to user-facing AI applications, safety alignment, and the simulation of human behavior. As emotional stimuli shape high-stakes behavior in Large Language Models (LLMs), there is increasing interest in how models represent emotion concepts internally. Mechanistic accounts of these representations, however, cannot be compared directly against humans: emotion processing in humans is highly distributed and yields no equivalent neural representation. To understand whether LLMs internalize emotion concepts in a way similar to humans, we propose characterizing the abstract concept of an emotion using external behavioral signatures, which we term behavioral representations. Using the theory of cognitive appraisals, which enables representing emotional situations along interpretable evaluative dimensions, we create a benchmark dataset of emotional scenarios spanning 15 emotion categories. We elicit behavioral representations of emotion concepts from LLMs and humans using our benchmark, and study their structural similarity. We find that LLMs represent emotion concepts more categorically, homogeneously, and determinately than humans, representing a single emotion concept with less internal diversity, and place different emotions further apart. The categorical structure of representations in LLMs is further robust to contextual variation, including with different task framing and demographic personas. Analyzing model checkpoints across different training stages, we also find that the discretized nature of representations appears after the mid-training stage itself and is unaffected by different post-training strategies. Through our results, we highlight a key difference in how LLMs behaviorally represent emotion concepts, curbing the subjectivity inherent to the human experience of emotions.
LLMs Encode Harmfulness and Refusal Separately
LLMs are trained to refuse harmful instructions, but do they truly understand harmfulness beyond just refusing? Prior work has shown that LLMs' refusal behaviors can be mediated by a one-dimensional subspace, i.e., a refusal direction. In this work, we identify a new dimension to analyze safety mechanisms in LLMs, i.e., harmfulness, which is encoded internally as a separate concept from refusal. There exists a harmfulness direction that is distinct from the refusal direction. As causal evidence, steering along the harmfulness direction can lead LLMs to interpret harmless instructions as harmful, but steering along the refusal direction tends to elicit refusal responses directly without reversing the model's judgment on harmfulness. Furthermore, using our identified harmfulness concept, we find that certain jailbreak methods work by reducing the refusal signals without reversing the model's internal belief of harmfulness. We also find that adversarially finetuning models to accept harmful instructions has minimal impact on the model's internal belief of harmfulness. These insights lead to a practical safety application: The model's latent harmfulness representation can serve as an intrinsic safeguard (Latent Guard) for detecting unsafe inputs and reducing over-refusals that is robust to finetuning attacks. For instance, our Latent Guard achieves performance comparable to or better than Llama Guard 3 8B, a dedicated finetuned safeguard model, across different jailbreak methods. Our findings suggest that LLMs' internal understanding of harmfulness is more robust than their refusal decision to diverse input instructions, offering a new perspective to study AI safety.
Sparse Autoencoders Can Capture Language-Specific Concepts Across Diverse Languages
Understanding the multilingual mechanisms of large language models (LLMs) provides insight into how they process different languages, yet this remains challenging. Existing studies often focus on individual neurons, but their polysemantic nature makes it difficult to isolate language-specific units from cross-lingual representations. To address this, we explore sparse autoencoders (SAEs) for their ability to learn monosemantic features that represent concrete and abstract concepts across languages in LLMs. While some of these features are language-independent, the presence of language-specific features remains underexplored. In this work, we introduce , a method based on feature activation probability, to identify language-specific features within the feed-forward network. We find that many such features predominantly appear in the middle to late layers of the model and are interpretable. These features influence the model's multilingual performance and language output, and can be used for language identification with performance comparable to fastText, along with more interpretability. Our code and complete figures are available at https://github.com/LyzanderAndrylie/language-specific-features.
On the Effect of Uncertainty on Layer-wise Inference Dynamics
Understanding how large language models (LLMs) internally represent and process their predictions is central to detecting uncertainty and preventing hallucinations. While several studies have shown that models encode uncertainty in their hidden states, it is underexplored how this affects the way they process such hidden states. In this work, we demonstrate that the dynamics of output token probabilities across layers for certain and uncertain outputs are largely aligned, revealing that uncertainty does not seem to affect inference dynamics. Specifically, we use the Tuned Lens, a variant of the Logit Lens, to analyze the layer-wise probability trajectories of final prediction tokens across 11 datasets and 5 models. Using incorrect predictions as those with higher epistemic uncertainty, our results show aligned trajectories for certain and uncertain predictions that both observe abrupt increases in confidence at similar layers. We balance this finding by showing evidence that more competent models may learn to process uncertainty differently. Our findings challenge the feasibility of leveraging simplistic methods for detecting uncertainty at inference. More broadly, our work demonstrates how interpretability methods may be used to investigate the way uncertainty affects inference.
The Trilemma of Truth in Large Language Models
The public often attributes human-like qualities to large language models (LLMs), assuming that they "know" certain things. In reality, LLMs encode information retained during training as internal probabilistic knowledge. This study examines existing methods for probing the veracity of that knowledge and identifies three flawed underlying assumptions. To address these flaws, we introduce sAwMIL (Sparse-Aware Multiple-Instance Learning), a multiclass probing framework that combines multiple-instance learning with conformal prediction. sAwMIL leverages LLMs' internal representations to classify statements as true, false, or neither. We evaluate sAwMIL across 16 open-source LLMs, including default and chat-based variants, using three new curated datasets. Our results show that (1) common probing methods fail to provide a reliable and transferable veracity direction and, in some settings, perform worse than zero-shot prompting; (2) truth and falsehood are not encoded symmetrically; and (3) LLMs encode a third type of signal that is distinct from both true and false.
Cross-Layer Discrete Concept Discovery for Interpreting Language Models
Interpreting language models remains challenging due to the existence of residual stream, which linearly mixes and duplicates features across adjacent layers, causing single-layer analyses to miss this cross-layer structure. Cross-layer sparse autoencoders (SAEs) address layer mixing but operate in continuous space, where concepts split across many neurons without clear boundaries. We introduce Cross-Layer Vector Quantized-Variational Autoencoder (CLVQ-VAE), a novel framework which maps representations from a lower layer to a higher layer through a discrete vector-quantization bottleneck, collapsing duplicated residual-stream features into compact, interpretable concept vectors. Our approach combines top-k temperature-based sampling with exponential moving average (EMA) codebook updates, providing controlled exploration of the discrete latent space while maintaining codebook diversity. Across both encoder- and decoder-based models on ERASER-Movie, Jigsaw, and AGNews, CLVQ-VAE outperforms clustering, single-layer vector quantized-variational autoencoder (VQ-VAE), and sparse autoencoder (SAE) baselines across three evaluation axes: removing identified concepts drops downstream probe accuracy by up to 93%, LLM judges rank our concepts first in 66.7% of comparisons, and human annotators recover model predictions from our visualizations with 78% accuracy versus 54% for clustering.
InverseScope: Scalable Activation Inversion for Interpreting Large Language Models
Understanding the internal representations of large language models (LLMs) is a central challenge in interpretability research. Existing feature interpretability methods often rely on strong structural assumptions--such as linearity or sparsity--that may not hold in practice. In this work, we introduce InverseScope, an assumption-light and scalable framework for interpreting neural activations via input inversion. Given a target activation, InverseScope characterizes its encoded information by generating natural-language inputs that produce nearby activations, grounding abstract internal states in concrete language. To overcome the prohibitive cost of sampling in high-dimensional activation spaces, we propose a novel control-layer conditioning architecture that substantially improves sample efficiency compared to prior token-prepending approaches. We demonstrate that InverseScope reveals rich geometric structure in LLM representation spaces, including sentence-level linear analogies. The framework scales to state-of-the-art open-source models of up to 14B parameters and generalizes to out-of-distribution inputs, enabling systematic analysis of activation neighborhoods.
When Can Large Reasoning Models Save Thinking? Mechanistic Analysis of Behavioral Divergence in Reasoning
Large reasoning models (LRMs) have achieved remarkable success on complex tasks, yet their tendency to "overthink" leads to inefficiencies. Although "save-thinking" prompts are intended to mitigate this issue, we find that LRMs still frequently enter the "Still-thinking" mode instead of the expected "No-thinking" mode, especially on difficult queries. To analyze this behavioral divergence, we examine LRMs from three perspectives: confidence at the thinking-termination boundary, divergence in internal attention distributions, and attention allocation across prompt segments. We find that high perplexity is associated with later Still-thinking behavior, and that Still-thinking cases allocate more attention to the original question. Based on these observations, we propose an attention intervention method to regulate this behavior. While this intervention suppresses explicit thinking, it also causes a drop in accuracy, suggesting that the suppressed reasoning behavior is often useful for correctness. Our work provides confidence- and attention-level evidence for this behavior, highlighting the trade-off between instruction following, inference efficiency, and reasoning correctness.
Truthful or Fabricated? Using Causal Attribution to Mitigate Reward Hacking in Explanations
Chain-of-thought explanations are widely used to inspect the decision process of large language models (LLMs) and to evaluate the trustworthiness of model outputs, making them important for effective collaboration between LLMs and humans. We demonstrate that preference optimization - a key step in the alignment phase - can inadvertently reduce the faithfulness of these explanations. This occurs because the reward model (RM), which guides alignment, is tasked with optimizing both the expected quality of the response and the appropriateness of the explanations (e.g., minimizing bias or adhering to safety standards), creating potential conflicts. The RM lacks a mechanism to assess the consistency between the model's internal decision process and the generated explanation. Consequently, the LLM may engage in "reward hacking" by producing a final response that scores highly while giving an explanation tailored to maximize reward rather than accurately reflecting its reasoning. To address this issue, we propose enriching the RM's input with a causal attribution of the prediction, allowing the RM to detect discrepancies between the generated self-explanation and the model's decision process. In controlled settings, we show that this approach reduces the tendency of the LLM to generate misleading explanations.
Verbosity Tradeoffs and the Impact of Scale on the Faithfulness of LLM Self-Explanations
When asked to explain their decisions, LLMs can often give explanations which sound plausible to humans. But are these explanations faithful, i.e. do they convey the factors actually responsible for the decision? In this work, we analyse counterfactual faithfulness across 75 models from 13 families. We analyze the tradeoff between conciseness and comprehensiveness, how correlational faithfulness metrics assess this tradeoff, and the extent to which metrics can be gamed. This analysis motivates two new metrics: the phi-CCT, a simplified variant of the Correlational Counterfactual Test (CCT) which avoids the need for token probabilities while explaining most of the variance of the original test; and F-AUROC, which eliminates sensitivity to imbalanced intervention distributions and captures a model's ability to produce explanations with different levels of detail. Our findings reveal a clear scaling trend: larger and more capable models are consistently more faithful on all metrics we consider. Our code is available at https://github.com/google-deepmind/corr_faith.
LLM-Microscope: Uncovering the Hidden Role of Punctuation in Context Memory of Transformers
We introduce methods to quantify how Large Language Models (LLMs) encode and store contextual information, revealing that tokens often seen as minor (e.g., determiners, punctuation) carry surprisingly high context. Notably, removing these tokens -- especially stopwords, articles, and commas -- consistently degrades performance on MMLU and BABILong-4k, even if removing only irrelevant tokens. Our analysis also shows a strong correlation between contextualization and linearity, where linearity measures how closely the transformation from one layer's embeddings to the next can be approximated by a single linear mapping. These findings underscore the hidden importance of filler tokens in maintaining context. For further exploration, we present LLM-Microscope, an open-source toolkit that assesses token-level nonlinearity, evaluates contextual memory, visualizes intermediate layer contributions (via an adapted Logit Lens), and measures the intrinsic dimensionality of representations. This toolkit illuminates how seemingly trivial tokens can be critical for long-range understanding.
Tokens, the oft-overlooked appetizer: Large language models, the distributional hypothesis, and meaning
Tokenization is a necessary component within the current architecture of many language mod-els, including the transformer-based large language models (LLMs) of Generative AI, yet its impact on the model's cognition is often overlooked. We argue that LLMs demonstrate that the Distributional Hypothesis (DH) is sufficient for reasonably human-like language performance (particularly with respect to inferential lexical competence), and that the emergence of human-meaningful linguistic units among tokens and current structural constraints motivate changes to existing, linguistically-agnostic tokenization techniques, particularly with respect to their roles as (1) vehicles for conveying salient distributional patterns from human language to the model and as (2) semantic primitives. We explore tokenizations from a BPE tokenizer; extant model vocabularies obtained from Hugging Face and tiktoken; and the information in exemplar token vectors as they move through the layers of a RoBERTa (large) model. Besides creating suboptimal semantic building blocks and obscuring the model's access to the necessary distributional patterns, we describe how tokens and pretraining can act as a backdoor for bias and other unwanted content, which current alignment practices may not remediate. Additionally, we relay evidence that the tokenization algorithm's objective function impacts the LLM's cognition, despite being arguably meaningfully insulated from the main system intelligence. Finally, we discuss implications for architectural choices, meaning construction, the primacy of language for thought, and LLM cognition. [First uploaded to arXiv in December, 2024.]
Listening to the Wise Few: Query-Key Alignment Unlocks Latent Correct Answers in Large Language Models
Large language models (LLMs) routinely fail to output the correct option in multiple-choice question answering (MCQA) while encoding the answer internally. We expose this latent knowledge via the Query--Key (QK) score, defined for an attention head as the inner product between the last-token query and the key at the end-of-line token following option , evaluated before rotary positional embedding is applied. Its argmax identifies a universal class of select-and-copy heads in middle layers that perform option selection through semantic query--key alignment, mechanistically distinct from induction and copy-suppression heads (Olsson et al., 2022): they are invariant to label symbols, and solve a synthetic task with zero surface overlap---properties no positional-copy account explains and that critically require stripping RoPE. Across 24 models from 1.5B to 72B parameters (LLaMA-2/3/3.1/3.3, Qwen-2.5, Gemma, Phi-3.5, DeepSeek-R1-Distill), a single head's QK-score exceeds the model's own zero-shot accuracy by up to pp on HellaSwag and pp on HaluDialogue; causal zero-ablation collapses MCQA accuracy to near-random. To remove any dependence on labeled validation data, we introduce an unsupervised HeadScore that ranks heads from unlabeled inputs and recovers the supervised top- heads on every tested model. Against four positional-debiasing baselines (e.g., PriDe, Wiegrefe, Wang), QK-score is complementary by construction: debiasing re-weights output logits, whereas QK-score reads the model's selection from a middle-layer head before decoding. We release a one-line drop-in HeadScore script and per-model head indices, making every result one-command reproducible across all 24 models and four benchmarks.
How LLMs Follow Instructions: Skillful Coordination, Not a Universal Mechanism
Instruction tuning is commonly assumed to endow language models with a domain-general ability to follow instructions, yet the underlying mechanism remains poorly understood. Does instruction-following rely on a universal mechanism or compositional skill deployment? We investigate this through diagnostic probing across nine diverse tasks in three instruction-tuned models. Our analysis provides converging evidence against a universal mechanism. First, general probes trained across all tasks show selective rather than uniform deficits relative to task-specific specialists, indicating that representational sharing is partial and structured rather than global. Second, cross-task transfer is weak and clustered by skill similarity. Third, causal ablation reveals sparse asymmetric dependencies rather than shared representations. Tasks also stratify by complexity across layers, with structural constraints emerging early and semantic tasks emerging late. Finally, temporal analysis shows that the constraint signal becomes decodable only once generation is under way, and remains so throughout the response. These findings indicate that instruction-following is better characterized as skillful coordination of diverse linguistic capabilities rather than deployment of a single abstract constraint-checking process.