Towards Large Language Models with Self-Consistent Natural Language Explanations

Large language models (LLMs) seem to offer an easy path to interpretability: just ask them to explain their decisions. Yet, studies show that these post-hoc explanations often misrepresent the true decision process, as revealed by mismatches in feature importance. Despite growing evidence of this inconsistency, no systematic solutions have emerged, partly due to the high cost of estimating feature importance, which limits evaluations to small datasets. To address this, we introduce the Post-hoc Self-Consistency Bank (PSCB) - a large-scale benchmark of decisions spanning diverse tasks and models, each paired with LLM-generated explanations and corresponding feature importance scores. Analysis of PSCB reveals that self-consistency scores barely differ between correct and incorrect predictions. We also show that the standard metric fails to meaningfully distinguish between explanations. To overcome this limitation, we propose an alternative metric that more effectively captures variation in explanation quality. We use it to fine-tune LLMs via Direct Preference Optimization (DPO), leading to significantly better alignment between explanations and decision-relevant features, even under domain shift. Our findings point to a scalable path toward more trustworthy, self-consistent LLMs.

Bootstrapping World Models from Dynamics Models in Multimodal Foundation Models

To what extent do vision-and-language foundation models possess a realistic world model (observation $\times$ action $\rightarrow$ observation) and a dynamics model (observation $\times$ observation $\rightarrow$ action), when actions are expressed through language? While open-source foundation models struggle with both, we find that fine-tuning them to acquire a dynamics model through supervision is significantly easier than acquiring a world model. In turn, dynamics models can be used to bootstrap world models through two main strategies: 1) weakly supervised learning from synthetic data and 2) inference time verification. Firstly, the dynamics model can annotate actions for unlabelled pairs of video frame observations to expand the training data. We further propose a new objective, where image tokens in observation pairs are weighted by their importance, as predicted by a recognition model. Secondly, the dynamics models can assign rewards to multiple samples of the world model to score them, effectively guiding search at inference time. We evaluate the world models resulting from both strategies through the task of action-centric image editing on Aurora-Bench. Our best model achieves a performance competitive with state-of-the-art image editing models, improving on them by a margin of $15\%$ on real-world subsets according to GPT4o-as-judge, and achieving the best average human evaluation across all subsets of Aurora-Bench.

Knowing Before Saying: LLM Representations Encode Information About Chain-of-Thought Success Before Completion

We investigate whether the success of a zero-shot Chain-of-Thought (CoT) process can be predicted before completion. We discover that a probing classifier, based on LLM representations, performs well \emph{even before a single token is generated}, suggesting that crucial information about the reasoning process is already present in the initial steps representations. In contrast, a strong BERT-based baseline, which relies solely on the generated tokens, performs worse, likely because it depends on shallow linguistic cues rather than deeper reasoning dynamics. Surprisingly, using later reasoning steps does not always improve classification. When additional context is unhelpful, earlier representations resemble later ones more, suggesting LLMs encode key information early. This implies reasoning can often stop early without loss. To test this, we conduct early stopping experiments, showing that truncating CoT reasoning still improves performance over not using CoT at all, though a gap remains compared to full reasoning. However, approaches like supervised learning or reinforcement learning designed to shorten CoT chains could leverage our classifier's guidance to identify when early stopping is effective. Our findings provide insights that may support such methods, helping to optimize CoT's efficiency while preserving its benefits.\footnote{Code and data is available at \href{https://github.com/anum94/CoTpred}{\texttt{github.com/anum94/CoTpred}}.

Policy Optimized Text-to-Image Pipeline Design

Text-to-image generation has evolved beyond single monolithic models to complex multi-component pipelines. These combine fine-tuned generators, adapters, upscaling blocks and even editing steps, leading to significant improvements in image quality. However, their effective design requires substantial expertise. Recent approaches have shown promise in automating this process through large language models (LLMs), but they suffer from two critical limitations: extensive computational requirements from generating images with hundreds of predefined pipelines, and poor generalization beyond memorized training examples. We introduce a novel reinforcement learning-based framework that addresses these inefficiencies. Our approach first trains an ensemble of reward models capable of predicting image quality scores directly from prompt-workflow combinations, eliminating the need for costly image generation during training. We then implement a two-phase training strategy: initial workflow vocabulary training followed by GRPO-based optimization that guides the model toward higher-performing regions of the workflow space. Additionally, we incorporate a classifier-free guidance based enhancement technique that extrapolates along the path between the initial and GRPO-tuned models, further improving output quality. We validate our approach through a set of comparisons, showing that it can successfully create new flows with greater diversity and lead to superior image quality compared to existing baselines.

Learning on LLM Output Signatures for gray-box LLM Behavior Analysis

Large Language Models (LLMs) have achieved widespread adoption, yet our understanding of their behavior remains limited, particularly in detecting data contamination and hallucinations. While recently proposed probing techniques provide insights through activation analysis, they require "white-box" access to model internals, often unavailable. Current "gray-box" approaches typically analyze only the probability of the actual tokens in the sequence with simple task-specific heuristics. Importantly, these methods overlook the rich information contained in the full token distribution at each processing step. To address these limitations, we propose that gray-box analysis should leverage the complete observable output of LLMs, consisting of both the previously used token probabilities as well as the complete token distribution sequences - a unified data type we term LOS (LLM Output Signature). To this end, we develop a transformer-based approach to process LOS that theoretically guarantees approximation of existing techniques while enabling more nuanced analysis. Our approach achieves superior performance on hallucination and data contamination detection in gray-box settings, significantly outperforming existing baselines. Furthermore, it demonstrates strong transfer capabilities across datasets and LLMs, suggesting that LOS captures fundamental patterns in LLM behavior. Our code is available at: https://github.com/BarSGuy/LLM-Output-Signatures-Network.

TSPRank: Bridging Pairwise and Listwise Methods with a Bilinear Travelling Salesman Model

Traditional Learning-To-Rank (LETOR) approaches, including pairwise methods like RankNet and LambdaMART, often fall short by solely focusing on pairwise comparisons, leading to sub-optimal global rankings. Conversely, deep learning based listwise methods, while aiming to optimise entire lists, require complex tuning and yield only marginal improvements over robust pairwise models. To overcome these limitations, we introduce Travelling Salesman Problem Rank (TSPRank), a hybrid pairwise-listwise ranking method. TSPRank reframes the ranking problem as a Travelling Salesman Problem (TSP), a well-known combinatorial optimisation challenge that has been extensively studied for its numerous solution algorithms and applications. This approach enables the modelling of pairwise relationships and leverages combinatorial optimisation to determine the listwise ranking. This approach can be directly integrated as an additional component into embeddings generated by existing backbone models to enhance ranking performance. Our extensive experiments across three backbone models on diverse tasks, including stock ranking, information retrieval, and historical events ordering, demonstrate that TSPRank significantly outperforms both pure pairwise and listwise methods. Our qualitative analysis reveals that TSPRank's main advantage over existing methods is its ability to harness global information better while ranking. TSPRank's robustness and superior performance across different domains highlight its potential as a versatile and effective LETOR solution. The code and preprocessed data are available at https://github.com/waylonli/TSPRank-KDD2025.

Layer by Layer: Uncovering Where Multi-Task Learning Happens in Instruction-Tuned Large Language Models

Fine-tuning pre-trained large language models (LLMs) on a diverse array of tasks has become a common approach for building models that can solve various natural language processing (NLP) tasks. However, where and to what extent these models retain task-specific knowledge remains largely unexplored. This study investigates the task-specific information encoded in pre-trained LLMs and the effects of instruction tuning on their representations across a diverse set of over 60 NLP tasks. We use a set of matrix analysis tools to examine the differences between the way pre-trained and instruction-tuned LLMs store task-specific information. Our findings reveal that while some tasks are already encoded within the pre-trained LLMs, others greatly benefit from instruction tuning. Additionally, we pinpointed the layers in which the model transitions from high-level general representations to more task-oriented representations. This finding extends our understanding of the governing mechanisms of LLMs and facilitates future research in the fields of parameter-efficient transfer learning and multi-task learning.

Spectral Editing of Activations for Large Language Model Alignment

Large language models (LLMs) often exhibit undesirable behaviours, such as generating untruthful or biased content. Editing their internal representations has been shown to be effective in mitigating such behaviours on top of the existing alignment methods. We propose a novel inference-time editing method, namely spectral editing of activations (SEA), to project the input representations into directions with maximal covariance with the positive demonstrations (e.g., truthful) while minimising covariance with the negative demonstrations (e.g., hallucinated). We also extend our method to non-linear editing using feature functions. We run extensive experiments on benchmarks concerning truthfulness and bias with six open-source LLMs of different sizes and model families. The results demonstrate the superiority of SEA in effectiveness, generalisation to similar tasks, as well as inference and data efficiency. We also show that SEA editing only has a limited negative impact on other model capabilities.

Are Large Language Models Temporally Grounded?

Are Large language models (LLMs) temporally grounded? Since LLMs cannot perceive and interact with the environment, it is impossible to answer this question directly. Instead, we provide LLMs with textual narratives and probe them with respect to their common-sense knowledge of the structure and duration of events, their ability to order events along a timeline, and self-consistency within their temporal model (e.g., temporal relations such as after and before are mutually exclusive for any pair of events). We evaluate state-of-the-art LLMs (such as LLaMA 2 and GPT-4) on three tasks reflecting these abilities. Generally, we find that LLMs lag significantly behind both human performance as well as small-scale, specialised LMs. In-context learning, instruction tuning, and chain-of-thought prompting reduce this gap only to a limited degree. Crucially, LLMs struggle the most with self-consistency, displaying incoherent behaviour in at least 27.23% of their predictions. Contrary to expectations, we also find that scaling the model size does not guarantee positive gains in performance. To explain these results, we study the sources from which LLMs may gather temporal information: we find that sentence ordering in unlabelled texts, available during pre-training, is only weakly correlated with event ordering. Moreover, public instruction tuning mixtures contain few temporal tasks. Hence, we conclude that current LLMs lack a consistent temporal model of textual narratives. Code, datasets, and LLM outputs are available at https://github.com/yfqiu-nlp/temporal-llms.

A Joint Matrix Factorization Analysis of Multilingual Representations

We present an analysis tool based on joint matrix factorization for comparing latent representations of multilingual and monolingual models. An alternative to probing, this tool allows us to analyze multiple sets of representations in a joint manner. Using this tool, we study to what extent and how morphosyntactic features are reflected in the representations learned by multilingual pre-trained models. We conduct a large-scale empirical study of over 33 languages and 17 morphosyntactic categories. Our findings demonstrate variations in the encoding of morphosyntactic information across upper and lower layers, with category-specific differences influenced by language properties. Hierarchical clustering of the factorization outputs yields a tree structure that is related to phylogenetic trees manually crafted by linguists. Moreover, we find the factorization outputs exhibit strong associations with performance observed across different cross-lingual tasks. We release our code to facilitate future research.