Neural Information Processing Systems http://nips.cc/

Recovering the latent factors of variation of high dimensional data has so far focused on simple synthetic settings. Mostly building on unsupervised and weakly-supervised objectives, prior work missed out on the positive implications for representation learning on real world data. In this work, we propose to leverage knowledge extracted from a diversified set of supervised tasks to learn a common disentangled representation. Assuming each supervised task only depends on an unknown subset of the factors of variation, we disentangle the feature space of a supervised multi-task model, with features activating sparsely across different tasks and information being shared as appropriate. Importantly, we never directly observe the factors of variations but establish that access to multiple tasks is sufficient for identifiability under sufficiency and minimality assumptions.We validate our approach on six real world distribution shift benchmarks, and different data modalities (images, text), demonstrating how disentangled representations can be transferred to real settings.

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language model (LLM) architectures have yielded chemistry language models (CLMs) with impressive capabilities in molecular property prediction and molecular generation. However, how these models internally represent chemical knowledge remains poorly understood. In this work, we extend sparse autoencoder techniques to uncover and examine interpretable features within CLMs. Applying our methodology to the Foundation Models for Materials (FM4M) SMI-TED chemistry foundation model, we extract semantically meaningful latent features and analyse their activation patterns across diverse molecular datasets. Our findings reveal that these models encode a rich landscape of chemical concepts. We identify correlations between specific latent features and distinct domains of chemical knowledge, including structural motifs, physicochemical properties, and pharmacological drug classes. Our approach provides a generalisable framework for uncovering latent knowledge in chemistry-focused AI systems. This work has implications for both foundational understanding and practical deployment; with the potential to accelerate computational chemistry research.

Large language models (LLMs) have achieved remarkable progress, yet their internal mechanisms remain largely opaque, posing a significant challenge to their safe and reliable deployment. Sparse autoencoders (SAEs) have emerged as a promising tool for decomposing LLM representations into more interpretable features, but explaining the features captured by SAEs remains a challenging task. In this work, we propose SAGE (SAE AGentic Explainer), an agent-based framework that recasts feature interpretation from a passive, single-pass generation task into an active, explanation-driven process. SAGE implements a rigorous methodology by systematically formulating multiple explanations for each feature, designing targeted experiments to test them, and iteratively refining explanations based on empirical activation feedback. Experiments on features from SAEs of diverse language models demonstrate that SAGE produces explanations with significantly higher generative and predictive accuracy compared to state-of-the-art baselines.an agent-based framework that recasts feature interpretation from a passive, single-pass generation task into an active, explanationdriven process. SAGE implements a rigorous methodology by systematically formulating multiple explanations for each feature, designing targeted experiments to test them, and iteratively refining explanations based on empirical activation feedback. Experiments on features from SAEs of diverse language models demonstrate that SAGE produces explanations with significantly higher generative and predictive accuracy compared to state-of-the-art baselines.

Translating the internal representations and computations of models into concepts that humans can understand is a key goal of interpretability. While recent dictionary learning methods such as Sparse Autoencoders (SAEs) provide a promising route to discover human-interpretable features, they suffer from a variety of problems, including a systematic failure to capture the rich conceptual information that drives linguistic understanding. Instead, they exhibit a bias towards shallow, token-specific, or noisy features, such as "the phrase 'The' at the start of sentences". In this work, we propose that this is due to a fundamental issue with how dictionary learning methods for LLMs are trained. Language itself has a rich, well-studied structure spanning syntax, semantics, and pragmatics; however, current unsupervised methods largely ignore this linguistic knowledge, leading to poor feature discovery that favors superficial patterns over meaningful concepts. We focus on a simple but important aspect of language: semantic content has long-range dependencies and tends to be smooth over a sequence, whereas syntactic information is much more local. Building on this insight, we introduce Temporal Sparse Autoencoders (T-SAEs), which incorporate a novel contrastive loss encouraging consistent activations of high-level features over adjacent tokens. This simple yet powerful modification enables SAEs to disentangle semantic from syntactic features in a self-supervised manner. Across multiple datasets and models, T-SAEs recover smoother, more coherent semantic concepts without sacrificing reconstruction quality. Strikingly, they exhibit clear semantic structure despite being trained without explicit semantic signal, offering a new pathway for unsupervised interpretability in language models.

Mechanistic interpretability strives to explain model behavior in terms of bottom-up primitives. The leading paradigm is to express hidden states as a sparse linear combination of basis vectors, called features. However, this only identifies which text sequences (exemplars) activate which features; the actual interpretation of features requires subjective inspection of these exemplars. This paper advocates for a different solution: rule-based descriptions that match token patterns in the input and correspondingly increase or decrease the likelihood of specific output tokens. Specifically, we extract rule-based descriptions of SAE features trained on the outputs of attention layers. While prior work treats the attention layers as an opaque box, we describe how it may naturally be expressed in terms of interactions between input and output features, of which we study three types: (1) skip-gram rules of the form "[Canadian city]... speaks --> English", (2) absence rules of the form "[Montreal]... speaks -/-> English," and (3) counting rules that toggle only when the count of a word exceeds a certain value or the count of another word. Absence and counting rules are not readily discovered by inspection of exemplars, where manual and automatic descriptions often identify misleading or incomplete explanations. We then describe a simple approach to extract these types of rules automatically from a transformer, and apply it to GPT-2 small. We find that a majority of features may be described well with around 100 skip-gram rules, though absence rules are abundant even as early as the first layer (in over a fourth of features). We also isolate a few examples of counting rules. This paper lays the groundwork for future research into rule-based descriptions of features by defining them, showing how they may be extracted, and providing a preliminary taxonomy of some of the behaviors they represent.

The fields of explainable AI and mechanistic interpretability aim to uncover the internal structure of neural networks, with circuit discovery as a central tool for understanding model computations. Existing approaches, however, rely on manual inspection and remain limited to toy tasks. Automated interpretability offers scalability by analyzing isolated features and their activations, but it often misses interactions between features and depends strongly on external LLMs and dataset quality. Transcoders have recently made it possible to separate feature attributions into input-dependent and input-invariant components, providing a foundation for more systematic circuit analysis. Building on this, we propose WeightLens and CircuitLens, two complementary methods that go beyond activation-based analysis. WeightLens interprets features directly from their learned weights, removing the need for explainer models or datasets while matching or exceeding the performance of existing methods on context-independent features. CircuitLens captures how feature activations arise from interactions between components, revealing circuit-level dynamics that activation-only approaches cannot identify. Together, these methods increase interpretability robustness and enhance scalable mechanistic analysis of circuits while maintaining efficiency and quality.

Work on adversarial examples has shown that neural nets are surprisingly sensitive to adversarially chosen changes of small magnitude.

Sparse Autoencoders (SAEs) have emerged as a promising approach for interpreting neural network representations by learning sparse, human-interpretable features from dense activations. We investigate whether incorporating variational methods into SAE architectures can improve feature organization and interpretability. We introduce the Variational Sparse Autoencoder (vSAE), which replaces deterministic ReLU gating with stochastic sampling from learned Gaussian posteriors and incorporates KL divergence regularization toward a standard normal prior. Our hypothesis is that this probabilistic sampling creates dispersive pressure, causing features to organize more coherently in the latent space while avoiding overlap. We evaluate a TopK vSAE against a standard TopK SAE on Pythia-70M transformer residual stream activations using comprehensive benchmarks including SAE Bench, individual feature interpretability analysis, and global latent space visualization through t-SNE. The vSAE underperforms standard SAE across core evaluation metrics, though excels at feature independence and ablation metrics. The KL divergence term creates excessive regularization pressure that substantially reduces the fraction of living features, leading to observed performance degradation. While vSAE features demonstrate improved robustness, they exhibit many more dead features than baseline. Our findings suggest that naive application of variational methods to SAEs does not improve feature organization or interpretability.

Sparse autoencoders (SAEs) are used to decompose neural network activations into sparsely activating features, but many SAE features are only interpretable at high activation strengths. To address this issue we propose to use binary sparse autoencoders (BAEs) and binary transcoders (BTCs), which constrain all activations to be zero or one. We find that binarisation significantly improves the interpretability and monosemanticity of the discovered features, while increasing reconstruction error. By eliminating the distinction between high and low activation strengths, we prevent uninterpretable information from being smuggled in through the continuous variation in feature activations. However, we also find that binarisation increases the number of uninterpretable ultra-high frequency features, and when interpretability scores are frequency-adjusted, the scores for continuous sparse coders are slightly better than those of binary ones. This suggests that polysemanticity may be an ineliminable property of neural activations.