Faithful and Robust LLM-Driven Theorem Proving for NLI Explanations

Natural language explanations play a fundamental role in Natural Language Inference (NLI) by revealing how premises logically entail hypotheses. Recent work has shown that the interaction of large language models (LLMs) with theorem provers (TPs) can help verify and improve the validity of NLI explanations. However, TPs require translating natural language into machine-verifiable formal representations, a process that introduces the risk of semantic information loss and unfaithful interpretation, an issue compounded by LLMs' challenges in capturing critical logical structures with sufficient precision. Moreover, LLMs are still limited in their capacity for rigorous and robust proof construction within formal verification frameworks. To mitigate issues related to faithfulness and robustness, this paper investigates strategies to (1) alleviate semantic loss during autoformalisation, (2) efficiently identify and correct syntactic errors in logical representations, (3) explicitly use logical expressions to guide LLMs in generating structured proof sketches, and (4) increase LLMs' capacity of interpreting TP's feedback for iterative refinement. Our empirical results on e-SNLI, QASC and WorldTree using different LLMs demonstrate that the proposed strategies yield significant improvements in autoformalisation (+18.46%, +34.2%, +39.77%) and explanation refinement (+29.5%, +51.5%, +41.25%) over the state-of-the-art model. Moreover, we show that specific interventions on the hybrid LLM-TP architecture can substantially improve efficiency, drastically reducing the number of iterations required for successful verification.

Controlled Agentic Planning & Reasoning for Mechanism Synthesis

This work presents a dual-agent Large Language Model (LLM)-based reasoning method for mechanism synthesis, capable of reasoning at both linguistic and symbolic levels to generate geometrical and dynamic outcomes. The model consists of a composition of well-defined functions that, starting from a natural language specification, references abstract properties through supporting equations, generates and parametrizes simulation code, and elicits feedback anchor points using symbolic regression and distance functions. This process closes an actionable refinement loop at the linguistic and symbolic layers. The approach is shown to be both effective and convergent in the context of planar mechanisms. Additionally, we introduce MSynth, a novel benchmark for planar mechanism synthesis, and perform a comprehensive analysis of the impact of the model components. We further demonstrate that symbolic regression prompts unlock mechanistic insights only when applied to sufficiently large architectures.

TRACE for Tracking the Emergence of Semantic Representations in Transformers

Modern transformer models exhibit phase transitions during training, distinct shifts from memorisation to abstraction, but the mechanisms underlying these transitions remain poorly understood. Prior work has often focused on endpoint representations or isolated signals like curvature or mutual information, typically in symbolic or arithmetic domains, overlooking the emergence of linguistic structure. We introduce TRACE (Tracking Representation Abstraction and Compositional Emergence), a diagnostic framework combining geometric, informational, and linguistic signals to detect phase transitions in Transformer-based LMs. TRACE leverages a frame-semantic data generation method, ABSynth, that produces annotated synthetic corpora with controllable complexity, lexical distributions, and structural entropy, while being fully annotated with linguistic categories, enabling precise analysis of abstraction emergence. Experiments reveal that (i) phase transitions align with clear intersections between curvature collapse and dimension stabilisation; (ii) these geometric shifts coincide with emerging syntactic and semantic accuracy; (iii) abstraction patterns persist across architectural variants, with components like feedforward networks affecting optimisation stability rather than fundamentally altering trajectories. This work advances our understanding of how linguistic abstractions emerge in LMs, offering insights into model interpretability, training efficiency, and compositional generalisation that could inform more principled approaches to LM development.

Mitigating Content Effects on Reasoning in Language Models through Fine-Grained Activation Steering

Large language models (LLMs) frequently demonstrate reasoning limitations, often conflating content plausibility (i.e., material inference) with logical validity (i.e., formal inference). This can result in biased inferences, where plausible arguments are incorrectly deemed logically valid or vice versa. Mitigating this limitation is critical, as it undermines the trustworthiness and generalizability of LLMs in applications that demand rigorous logical consistency. This paper investigates the problem of mitigating content biases on formal reasoning through activation steering. Specifically, we curate a controlled syllogistic reasoning dataset to disentangle formal validity from content plausibility. After localising the layers responsible for formal and material inference, we investigate contrastive activation steering methods for test-time interventions. An extensive empirical analysis on different LLMs reveals that contrastive steering consistently supports linear control over content biases. However, we observe that a static approach is insufficient for improving all the tested models. We then leverage the possibility to control content effects by dynamically determining the value of the steering parameters via fine-grained conditional methods. We found that conditional steering is effective on unresponsive models, achieving up to 15% absolute improvement in formal reasoning accuracy with a newly introduced kNN-based method (K-CAST). Finally, additional experiments reveal that steering for content effects is robust to prompt variations, incurs minimal side effects on language modeling capabilities, and can partially generalize to out-of-distribution reasoning tasks. Practically, this paper demonstrates that activation-level interventions can offer a scalable strategy for enhancing the robustness of LLMs, contributing towards more systematic and unbiased formal reasoning.

PEIRCE: Unifying Material and Formal Reasoning via LLM-Driven Neuro-Symbolic Refinement

A persistent challenge in AI is the effective integration of material and formal inference - the former concerning the plausibility and contextual relevance of arguments, while the latter focusing on their logical and structural validity. Large Language Models (LLMs), by virtue of their extensive pre-training on large textual corpora, exhibit strong capabilities in material inference. However, their reasoning often lacks formal rigour and verifiability. At the same time, LLMs' linguistic competence positions them as a promising bridge between natural and formal languages, opening up new opportunities for combining these two modes of reasoning. In this paper, we introduce PEIRCE, a neuro-symbolic framework designed to unify material and formal inference through an iterative conjecture-criticism process. Within this framework, LLMs play the central role of generating candidate solutions in natural and formal languages, which are then evaluated and refined via interaction with external critique models. These critiques include symbolic provers, which assess formal validity, as well as soft evaluators that measure the quality of the generated arguments along linguistic and epistemic dimensions such as plausibility, coherence, and parsimony. While PEIRCE is a general-purpose framework, we demonstrate its capabilities in the domain of natural language explanation generation - a setting that inherently demands both material adequacy and formal correctness.

Accelerating Antibiotic Discovery with Large Language Models and Knowledge Graphs

The discovery of novel antibiotics is critical to address the growing antimicrobial resistance (AMR). However, pharmaceutical industries face high costs (over $1 billion), long timelines, and a high failure rate, worsened by the rediscovery of known compounds. We propose an LLM-based pipeline that acts as an alarm system, detecting prior evidence of antibiotic activity to prevent costly rediscoveries. The system integrates organism and chemical literature into a Knowledge Graph (KG), ensuring taxonomic resolution, synonym handling, and multi-level evidence classification. We tested the pipeline on a private list of 73 potential antibiotic-producing organisms, disclosing 12 negative hits for evaluation. The results highlight the effectiveness of the pipeline for evidence reviewing, reducing false negatives, and accelerating decision-making. The KG for negative hits and the user interface for interactive exploration will be made publicly available.

Interpreting token compositionality in LLMs: A robustness analysis

Understanding the internal mechanisms of large language models (LLMs) is integral to enhancing their reliability, interpretability, and inference processes. We present Constituent-Aware Pooling (CAP), a methodology designed to analyse how LLMs process compositional linguistic structures. Grounded in principles of compositionality, mechanistic interpretability, and information gain theory, CAP systematically intervenes in model activations through constituent-based pooling at various model levels. Our experiments on inverse definition modelling, hypernym and synonym prediction reveal critical insights into transformers' limitations in handling compositional abstractions. No specific layer integrates tokens into unified semantic representations based on their constituent parts. We observe fragmented information processing, which intensifies with model size, suggesting that larger models struggle more with these interventions and exhibit greater information dispersion. This fragmentation likely stems from transformers' training objectives and architectural design, preventing systematic and cohesive representations. Our findings highlight fundamental limitations in current transformer architectures regarding compositional semantics processing and model interpretability, underscoring the critical need for novel approaches in LLM design to address these challenges.

Reasoning with Natural Language Explanations

Explanation constitutes an archetypal feature of human rationality, underpinning learning and generalisation, and representing one of the media supporting scientific discovery and communication. Due to the importance of explanations in human reasoning, an increasing amount of research in Natural Language Inference (NLI) has started reconsidering the role that explanations play in learning and inference, attempting to build explanation-based NLI models that can effectively encode and use natural language explanations on downstream tasks. Research in explanation-based NLI, however, presents specific challenges and opportunities, as explanatory reasoning reflects aspects of both material and formal inference, making it a particularly rich setting to model and deliver complex reasoning. In this tutorial, we provide a comprehensive introduction to the field of explanation-based NLI, grounding this discussion on the epistemological-linguistic foundations of explanations, systematically describing the main architectural trends and evaluation methodologies that can be used to build systems capable of explanatory reasoning.

A Mechanistic Interpretation of Syllogistic Reasoning in Auto-Regressive Language Models

Recent studies on logical reasoning in auto-regressive Language Models (LMs) have sparked a debate on whether such models can learn systematic reasoning principles during pre-training or merely exploit superficial patterns in the training data. This paper presents a mechanistic interpretation of syllogistic reasoning in LMs to further enhance our understanding of internal dynamics. Specifically, we present a methodology for circuit discovery aimed at disentangling content-independent reasoning mechanisms from world knowledge acquired during pre-training. Through two distinct intervention methods, we uncover a sufficient and necessary circuit involving middle-term suppression that elucidates how LMs transfer information to derive valid conclusions from premises. Furthermore, we investigate how belief biases manifest in syllogistic reasoning, finding evidence of partial contamination from additional attention heads responsible for encoding commonsense and contextualized knowledge. Finally, we explore the generalization of the discovered mechanisms across various syllogistic schemes and model sizes, finding that the identified circuit is sufficient and necessary for all the schemes on which the model achieves high downstream accuracy ($\geq$ 60\%). Overall, our findings suggest that LMs indeed learn transferable content-independent reasoning mechanisms, but that, at the same time, such mechanisms do not involve generalisable and abstract logical primitives, being susceptible to contamination by the same world knowledge acquired during pre-training.

The Mechanics of Conceptual Interpretation in GPT Models: Interpretative Insights

Locating and editing knowledge in large language models (LLMs) is crucial for enhancing their accuracy, safety, and inference rationale. We introduce ``concept editing'', an innovative variation of knowledge editing that uncovers conceptualisation mechanisms within these models. Using the reverse dictionary task, inference tracing, and input abstraction, we analyse the Multi-Layer Perceptron (MLP), Multi-Head Attention (MHA), and hidden state components of transformer models. Our results reveal distinct patterns: MLP layers employ key-value retrieval mechanism and context-dependent processing, which are highly associated with relative input tokens. MHA layers demonstrate a distributed nature with significant higher-level activations, suggesting sophisticated semantic integration. Hidden states emphasise the importance of the last token and top layers in the inference process. We observe evidence of gradual information building and distributed representation. These observations elucidate how transformer models process semantic information, paving the way for targeted interventions and improved interpretability techniques. Our work highlights the complex, layered nature of semantic processing in LLMs and the challenges of isolating and modifying specific concepts within these models.