Daily Papers

We introduce the "exponential linear unit" (ELU) which speeds up learning in deep neural networks and leads to higher classification accuracies. Like rectified linear units (ReLUs), leaky ReLUs (LReLUs) and parametrized ReLUs (PReLUs), ELUs alleviate the vanishing gradient problem via the identity for positive values. However, ELUs have improved learning characteristics compared to the units with other activation functions. In contrast to ReLUs, ELUs have negative values which allows them to push mean unit activations closer to zero like batch normalization but with lower computational complexity. Mean shifts toward zero speed up learning by bringing the normal gradient closer to the unit natural gradient because of a reduced bias shift effect. While LReLUs and PReLUs have negative values, too, they do not ensure a noise-robust deactivation state. ELUs saturate to a negative value with smaller inputs and thereby decrease the forward propagated variation and information. Therefore, ELUs code the degree of presence of particular phenomena in the input, while they do not quantitatively model the degree of their absence. In experiments, ELUs lead not only to faster learning, but also to significantly better generalization performance than ReLUs and LReLUs on networks with more than 5 layers. On CIFAR-100 ELUs networks significantly outperform ReLU networks with batch normalization while batch normalization does not improve ELU networks. ELU networks are among the top 10 reported CIFAR-10 results and yield the best published result on CIFAR-100, without resorting to multi-view evaluation or model averaging. On ImageNet, ELU networks considerably speed up learning compared to a ReLU network with the same architecture, obtaining less than 10% classification error for a single crop, single model network.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep. Implementations are available at: github.com/bioinf-jku/SNNs.

Recent work in activation steering has demonstrated the potential to better control the outputs of Large Language Models (LLMs), but it involves finding steering vectors. This is difficult because engineers do not typically know how features are represented in these models. We seek to address this issue by applying the idea of mean-centring to steering vectors. We find that taking the average of activations associated with a target dataset, and then subtracting the mean of all training activations, results in effective steering vectors. We test this method on a variety of models on natural language tasks by steering away from generating toxic text, and steering the completion of a story towards a target genre. We also apply mean-centring to extract function vectors, more effectively triggering the execution of a range of natural language tasks by a significant margin (compared to previous baselines). This suggests that mean-centring can be used to easily improve the effectiveness of activation steering in a wide range of contexts.

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial, and the choice depends on the architecture, hyper-parameters, and even on the dataset. Typically these activations are fixed by hand before training. Here, we demonstrate how to eliminate the reliance on first picking fixed activation functions by using flexible parametric rational functions instead. The resulting Pad\'e Activation Units (PAUs) can both approximate common activation functions and also learn new ones while providing compact representations. Our empirical evidence shows that end-to-end learning deep networks with PAUs can increase the predictive performance. Moreover, PAUs pave the way to approximations with provable robustness. https://github.com/ml-research/pau

Activation Functions introduce non-linearity in the deep neural networks. This nonlinearity helps the neural networks learn faster and efficiently from the dataset. In deep learning, many activation functions are developed and used based on the type of problem statement. ReLU's variants, SWISH, and MISH are goto activation functions. MISH function is considered having similar or even better performance than SWISH, and much better than ReLU. In this paper, we propose an activation function named APTx which behaves similar to MISH, but requires lesser mathematical operations to compute. The lesser computational requirements of APTx does speed up the model training, and thus also reduces the hardware requirement for the deep learning model. Source code: https://github.com/mr-ravin/aptx_activation

Deep neural networks (DNNs) have demonstrated state-of-the-art results on many pattern recognition tasks, especially vision classification problems. Understanding the inner workings of such computational brains is both fascinating basic science that is interesting in its own right - similar to why we study the human brain - and will enable researchers to further improve DNNs. One path to understanding how a neural network functions internally is to study what each of its neurons has learned to detect. One such method is called activation maximization (AM), which synthesizes an input (e.g. an image) that highly activates a neuron. Here we dramatically improve the qualitative state of the art of activation maximization by harnessing a powerful, learned prior: a deep generator network (DGN). The algorithm (1) generates qualitatively state-of-the-art synthetic images that look almost real, (2) reveals the features learned by each neuron in an interpretable way, (3) generalizes well to new datasets and somewhat well to different network architectures without requiring the prior to be relearned, and (4) can be considered as a high-quality generative method (in this case, by generating novel, creative, interesting, recognizable images).

The choice of activation functions in deep networks has a significant effect on the training dynamics and task performance. Currently, the most successful and widely-used activation function is the Rectified Linear Unit (ReLU). Although various hand-designed alternatives to ReLU have been proposed, none have managed to replace it due to inconsistent gains. In this work, we propose to leverage automatic search techniques to discover new activation functions. Using a combination of exhaustive and reinforcement learning-based search, we discover multiple novel activation functions. We verify the effectiveness of the searches by conducting an empirical evaluation with the best discovered activation function. Our experiments show that the best discovered activation function, f(x) = x cdot sigmoid(beta x), which we name Swish, tends to work better than ReLU on deeper models across a number of challenging datasets. For example, simply replacing ReLUs with Swish units improves top-1 classification accuracy on ImageNet by 0.9\% for Mobile NASNet-A and 0.6\% for Inception-ResNet-v2. The simplicity of Swish and its similarity to ReLU make it easy for practitioners to replace ReLUs with Swish units in any neural network.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

We observe an empirical phenomenon in Large Language Models (LLMs) -- very few activations exhibit significantly larger values than others (e.g., 100,000 times larger). We call them massive activations. First, we demonstrate the widespread existence of massive activations across various LLMs and characterize their locations. Second, we find their values largely stay constant regardless of the input, and they function as indispensable bias terms in LLMs. Third, these massive activations lead to the concentration of attention probabilities to their corresponding tokens, and further, implicit bias terms in the self-attention output. Last, we also study massive activations in Vision Transformers. Code is available at https://github.com/locuslab/massive-activations.

A neuroscience method to understanding the brain is to find and study the preferred stimuli that highly activate an individual cell or groups of cells. Recent advances in machine learning enable a family of methods to synthesize preferred stimuli that cause a neuron in an artificial or biological brain to fire strongly. Those methods are known as Activation Maximization (AM) or Feature Visualization via Optimization. In this chapter, we (1) review existing AM techniques in the literature; (2) discuss a probabilistic interpretation for AM; and (3) review the applications of AM in debugging and explaining networks.

Massive activations are scalar values in transformer hidden states that achieve values orders of magnitude larger than typical activations and have been shown to be critical for model functionality. While prior work has characterized these phenomena in fully trained models, the temporal dynamics of their emergence during training remain poorly understood. We present the first comprehensive analysis of massive activation development throughout transformer training, using the Pythia model family as our testbed. Through systematic analysis of various model sizes across multiple training checkpoints, we demonstrate that massive activation emergence follows predictable mathematical patterns that can be accurately modeled using an exponentially-modulated logarithmic function with five key parameters. We develop a machine learning framework to predict these mathematical parameters from architectural specifications alone, achieving high accuracy for steady-state behavior and moderate accuracy for emergence timing and magnitude. These findings enable architects to predict and potentially control key aspects of massive activation emergence through design choices, with significant implications for model stability, training cycle length, interpretability, and optimization. Our findings demonstrate that the emergence of massive activations is governed by model design and can be anticipated, and potentially controlled, before training begins.

Recent advancements in large language models (LLMs) have resulted in increasingly anthropomorphic language concerning the ability of LLMs to reason. Whether reasoning in LLMs should be understood to be inherently different is, however, widely debated. We propose utilizing a representation engineering approach wherein model activations are read from the residual stream of an LLM when processing a reasoning task. The activations are used to derive a control vector that is applied to the model as an inference-time intervention, modulating the representational space of the model, to improve performance on the specified task. We publish the code for deriving control vectors and analyzing model representations. The method allows us to improve performance on reasoning benchmarks and assess how control vectors influence the final logit distribution of a model via metrics such as KL divergence and entropy. We apply control vectors to Mistral-7B-Instruct and a range of Pythia models on an inductive, a deductive and mathematical reasoning task. We show that an LLM can, to a certain degree, be controlled to improve its perceived reasoning ability by modulating activations. The intervention is dependent upon the ability to reliably extract the model's typical state when correctly solving a task. Our results suggest that reasoning performance can be modulated in the same manner as other information-processing tasks performed by LLMs and demonstrate that we are capable of improving performance on specific tasks via a simple intervention on the residual stream with no additional training.

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.

Refusal refers to the functional behavior enabling safety-aligned language models to reject harmful or unethical prompts. Following the growing scientific interest in mechanistic interpretability, recent work encoded refusal behavior as a single direction in the model's latent space; e.g., computed as the difference between the centroids of harmful and harmless prompt representations. However, emerging evidence suggests that concepts in LLMs often appear to be encoded as a low-dimensional manifold embedded in the high-dimensional latent space. Motivated by these findings, we propose a novel method leveraging Self-Organizing Maps (SOMs) to extract multiple refusal directions. To this end, we first prove that SOMs generalize the prior work's difference-in-means technique. We then train SOMs on harmful prompt representations to identify multiple neurons. By subtracting the centroid of harmless representations from each neuron, we derive a set of multiple directions expressing the refusal concept. We validate our method on an extensive experimental setup, demonstrating that ablating multiple directions from models' internals outperforms not only the single-direction baseline but also specialized jailbreak algorithms, leading to an effective suppression of refusal. Finally, we conclude by analyzing the mechanistic implications of our approach.

Activation functions are fundamental in deep neural networks and directly impact gradient flow, optimization stability, and generalization. Although ReLU remains standard because of its simplicity, it suffers from vanishing gradients and lacks adaptability. Alternatives like Swish and GELU introduce smooth transitions, but fail to dynamically adjust to input statistics. We propose VeLU, a Variance-enhanced Learning Unit as an activation function that dynamically scales based on input variance by integrating ArcTan-Sin transformations and Wasserstein-2 regularization, effectively mitigating covariate shifts and stabilizing optimization. Extensive experiments on ViT_B16, VGG19, ResNet50, DenseNet121, MobileNetV2, and EfficientNetB3 confirm VeLU's superiority over ReLU, ReLU6, Swish, and GELU on six vision benchmarks. The codes of VeLU are publicly available on GitHub.

Machine learning algorithms relying on deep neural networks recently allowed a great leap forward in artificial intelligence. Despite the popularity of their applications, the efficiency of these algorithms remains largely unexplained from a theoretical point of view. The mathematical description of learning problems involves very large collections of interacting random variables, difficult to handle analytically as well as numerically. This complexity is precisely the object of study of statistical physics. Its mission, originally pointed towards natural systems, is to understand how macroscopic behaviors arise from microscopic laws. Mean-field methods are one type of approximation strategy developed in this view. We review a selection of classical mean-field methods and recent progress relevant for inference in neural networks. In particular, we remind the principles of derivations of high-temperature expansions, the replica method and message passing algorithms, highlighting their equivalences and complementarities. We also provide references for past and current directions of research on neural networks relying on mean-field methods.

The field of large language models (LLMs) has grown rapidly in recent years, driven by the desire for better efficiency, interpretability, and safe use. Building on the novel approach of "activation engineering," this study explores personality modification in LLMs, drawing inspiration from research like Refusal in LLMs Is Mediated by a Single Direction (arXiv:2406.11717) and Steering Llama 2 via Contrastive Activation Addition (arXiv:2312.06681). We leverage activation engineering to develop a method for identifying and adjusting activation directions related to personality traits, which may allow for dynamic LLM personality fine-tuning. This work aims to further our understanding of LLM interpretability while examining the ethical implications of such developments.

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.

Automated interpretability pipelines generate natural language descriptions for the concepts represented by features in large language models (LLMs), such as plants or the first word in a sentence. These descriptions are derived using inputs that activate the feature, which may be a dimension or a direction in the model's representation space. However, identifying activating inputs is costly, and the mechanistic role of a feature in model behavior is determined both by how inputs cause a feature to activate and by how feature activation affects outputs. Using steering evaluations, we reveal that current pipelines provide descriptions that fail to capture the causal effect of the feature on outputs. To fix this, we propose efficient, output-centric methods for automatically generating feature descriptions. These methods use the tokens weighted higher after feature stimulation or the highest weight tokens after applying the vocabulary "unembedding" head directly to the feature. Our output-centric descriptions better capture the causal effect of a feature on model outputs than input-centric descriptions, but combining the two leads to the best performance on both input and output evaluations. Lastly, we show that output-centric descriptions can be used to find inputs that activate features previously thought to be "dead".

We can better understand deep neural networks by identifying which features each of their neurons have learned to detect. To do so, researchers have created Deep Visualization techniques including activation maximization, which synthetically generates inputs (e.g. images) that maximally activate each neuron. A limitation of current techniques is that they assume each neuron detects only one type of feature, but we know that neurons can be multifaceted, in that they fire in response to many different types of features: for example, a grocery store class neuron must activate either for rows of produce or for a storefront. Previous activation maximization techniques constructed images without regard for the multiple different facets of a neuron, creating inappropriate mixes of colors, parts of objects, scales, orientations, etc. Here, we introduce an algorithm that explicitly uncovers the multiple facets of each neuron by producing a synthetic visualization of each of the types of images that activate a neuron. We also introduce regularization methods that produce state-of-the-art results in terms of the interpretability of images obtained by activation maximization. By separately synthesizing each type of image a neuron fires in response to, the visualizations have more appropriate colors and coherent global structure. Multifaceted feature visualization thus provides a clearer and more comprehensive description of the role of each neuron.

We present the Mixture-of-Tunable-Experts (MoTE), a method that extends the Mixture-of-Experts architecture of Large Language Models (LLMs). Without additional training, MoTE enables meaningful and focused behavior changes in LLMs on-the-fly during inference time. By analyzing the digital LLM brain of DeepSeek-R1 using a technique we dub 'functional Token Resonance Imaging' (fTRI) -- inspired by fMRI and using prompts designed to elicit specific behavior (e.g., 'What happened {time}{place}?') -- we empirically identify distinctive experts associated with behaviors like refusal responses. Using MoTE we are able to intervene and control such specific behavior. We switched off the top 10 most refusal-relevant experts (0.07% of R1's 14,848 routed experts), achieving a 52% refusal reduction on sensitive reference prompts without performance degradation on MT-Bench. Random expert deactivation resulted in smaller behavioral shifts with increased noise, whereas forced expert activation led to significantly higher refusal rates. Our approach shares similarities with sparse autoencoders (SAEs) in terms of explainability and steerability. Unlike SAEs, MoTE does not require large training efforts, as within MoEs with a vast number of experts, specialization already emerged naturally during pretraining. Our findings suggest that significant functional mechanisms in Mixture-of-Experts architectures can at least partially be localized in a small number of specific experts, rather than being distributed throughout the model's weights. Expert subgroups can be tuned to trigger significant behavior variations, providing insights into the inner workings of LLMs.

We introduce Contrastive Activation Addition (CAA), an innovative method for steering language models by modifying activations during their forward passes. CAA computes ``steering vectors'' by averaging the difference in residual stream activations between pairs of positive and negative examples of a particular behavior such as factual versus hallucinatory responses. During inference, these steering vectors are added at all token positions after the user's prompt with either a positive or negative coefficient, allowing precise control over the degree of the targeted behavior. We evaluate CAA's effectiveness on Llama 2 Chat using both multiple-choice behavioral question datasets and open-ended generation tasks. We demonstrate that CAA significantly alters model behavior, outperforms traditional methods like finetuning and few-shot prompting, and minimally reduces capabilities. Moreover, by employing various activation space interpretation methods, we gain deeper insights into CAA's mechanisms. CAA both accurately steers model outputs and also sheds light on how high-level concepts are represented in Large Language Models (LLMs).

Activation steering has emerged as a cost-effective paradigm for modifying large language model (LLM) behaviors. Existing methods typically intervene at the block level, steering the bundled activations of selected attention heads, feedforward networks, or residual streams. However, we reveal that block-level activations are inherently heterogeneous, entangling beneficial, irrelevant, and harmful features, thereby rendering block-level steering coarse, inefficient, and intrusive. To investigate the root cause, we decompose block activations into fine-grained atomic unit (AU)-level activations, where each AU-level activation corresponds to a single dimension of the block activation, and each AU denotes a slice of the block weight matrix. Steering an AU-level activation is thus equivalent to steering its associated AU. Our theoretical and empirical analysis show that heterogeneity arises because different AUs or dimensions control distinct token distributions in LLM outputs. Hence, block-level steering inevitably moves helpful and harmful token directions together, which reduces efficiency. Restricting intervention to beneficial AUs yields more precise and effective steering. Building on this insight, we propose AUSteer, a simple and efficient method that operates at a finer granularity of the AU level. AUSteer first identifies discriminative AUs globally by computing activation momenta on contrastive samples. It then assigns adaptive steering strengths tailored to diverse inputs and selected AU activations. Comprehensive experiments on multiple LLMs and tasks show that AUSteer consistently surpasses advanced baselines while steering considerably fewer activations, demonstrating that steering less achieves more.

The interpretation of deep learning models is a challenge due to their size, complexity, and often opaque internal state. In addition, many systems, such as image classifiers, operate on low-level features rather than high-level concepts. To address these challenges, we introduce Concept Activation Vectors (CAVs), which provide an interpretation of a neural net's internal state in terms of human-friendly concepts. The key idea is to view the high-dimensional internal state of a neural net as an aid, not an obstacle. We show how to use CAVs as part of a technique, Testing with CAVs (TCAV), that uses directional derivatives to quantify the degree to which a user-defined concept is important to a classification result--for example, how sensitive a prediction of "zebra" is to the presence of stripes. Using the domain of image classification as a testing ground, we describe how CAVs may be used to explore hypotheses and generate insights for a standard image classification network as well as a medical application.

The role of hidden units in recurrent neural networks is typically seen as modeling memory, with research focusing on enhancing information retention through gating mechanisms. A less explored perspective views hidden units as active participants in the computation performed by the network, rather than passive memory stores. In this work, we revisit bi-linear operations, which involve multiplicative interactions between hidden units and input embeddings. We demonstrate theoretically and empirically that they constitute a natural inductive bias for representing the evolution of hidden states in state tracking tasks. These are the simplest type of task that require hidden units to actively contribute to the behavior of the network. We also show that bi-linear state updates form a natural hierarchy corresponding to state tracking tasks of increasing complexity, with popular linear recurrent networks such as Mamba residing at the lowest-complexity center of that hierarchy.

In-context learning is a powerful emergent ability in transformer models. Prior work in mechanistic interpretability has identified a circuit element that may be critical for in-context learning -- the induction head (IH), which performs a match-and-copy operation. During training of large transformers on natural language data, IHs emerge around the same time as a notable phase change in the loss. Despite the robust evidence for IHs and this interesting coincidence with the phase change, relatively little is known about the diversity and emergence dynamics of IHs. Why is there more than one IH, and how are they dependent on each other? Why do IHs appear all of a sudden, and what are the subcircuits that enable them to emerge? We answer these questions by studying IH emergence dynamics in a controlled setting by training on synthetic data. In doing so, we develop and share a novel optogenetics-inspired causal framework for modifying activations throughout training. Using this framework, we delineate the diverse and additive nature of IHs. By clamping subsets of activations throughout training, we then identify three underlying subcircuits that interact to drive IH formation, yielding the phase change. Furthermore, these subcircuits shed light on data-dependent properties of formation, such as phase change timing, already showing the promise of this more in-depth understanding of subcircuits that need to "go right" for an induction head.

To correctly use in-context information, language models (LMs) must bind entities to their attributes. For example, given a context describing a "green square" and a "blue circle", LMs must bind the shapes to their respective colors. We analyze LM representations and identify the binding ID mechanism: a general mechanism for solving the binding problem, which we observe in every sufficiently large model from the Pythia and LLaMA families. Using causal interventions, we show that LMs' internal activations represent binding information by attaching binding ID vectors to corresponding entities and attributes. We further show that binding ID vectors form a continuous subspace, in which distances between binding ID vectors reflect their discernability. Overall, our results uncover interpretable strategies in LMs for representing symbolic knowledge in-context, providing a step towards understanding general in-context reasoning in large-scale LMs.

Large language models (LLMs) exhibit strong multilingual abilities, yet the neural mechanisms behind language-specific processing remain unclear. We analyze language-specific neurons in Llama-3.1-8B, Mistral-Nemo-12B, and Aya-Expanse-8B & 32B across 21 typologically diverse languages, identifying neurons that control language behavior. Using the Language Activation Probability Entropy (LAPE) method, we show that these neurons cluster in deeper layers, with non-Latin scripts showing greater specialization. Related languages share overlapping neurons, reflecting internal representations of linguistic proximity. Through language arithmetics, i.e. systematic activation addition and multiplication, we steer models to deactivate unwanted languages and activate desired ones, outperforming simpler replacement approaches. These interventions effectively guide behavior across five multilingual tasks: language forcing, translation, QA, comprehension, and NLI. Manipulation is more successful for high-resource languages, while typological similarity improves effectiveness. We also demonstrate that cross-lingual neuron steering enhances downstream performance and reveal internal "fallback" mechanisms for language selection when neurons are progressively deactivated. Our code is made publicly available at https://github.com/d-gurgurov/Language-Neurons-Manipulation.

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

We propose the Gaussian Error Linear Unit (GELU), a high-performing neural network activation function. The GELU activation function is xPhi(x), where Phi(x) the standard Gaussian cumulative distribution function. The GELU nonlinearity weights inputs by their value, rather than gates inputs by their sign as in ReLUs (x1_{x>0}). We perform an empirical evaluation of the GELU nonlinearity against the ReLU and ELU activations and find performance improvements across all considered computer vision, natural language processing, and speech tasks.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

In recent years, neural networks have enjoyed a renaissance as function approximators in reinforcement learning. Two decades after Tesauro's TD-Gammon achieved near top-level human performance in backgammon, the deep reinforcement learning algorithm DQN achieved human-level performance in many Atari 2600 games. The purpose of this study is twofold. First, we propose two activation functions for neural network function approximation in reinforcement learning: the sigmoid-weighted linear unit (SiLU) and its derivative function (dSiLU). The activation of the SiLU is computed by the sigmoid function multiplied by its input. Second, we suggest that the more traditional approach of using on-policy learning with eligibility traces, instead of experience replay, and softmax action selection with simple annealing can be competitive with DQN, without the need for a separate target network. We validate our proposed approach by, first, achieving new state-of-the-art results in both stochastic SZ-Tetris and Tetris with a small 10times10 board, using TD(λ) learning and shallow dSiLU network agents, and, then, by outperforming DQN in the Atari 2600 domain by using a deep Sarsa(λ) agent with SiLU and dSiLU hidden units.

Visualizing features in deep neural networks (DNNs) can help understanding their computations. Many previous studies aimed to visualize the selectivity of individual units by finding meaningful images that maximize their activation. However, comparably little attention has been paid to visualizing to what image transformations units in DNNs are invariant. Here we propose a method to discover invariances in the responses of hidden layer units of deep neural networks. Our approach is based on simultaneously searching for a batch of images that strongly activate a unit while at the same time being as distinct from each other as possible. We find that even early convolutional layers in VGG-19 exhibit various forms of response invariance: near-perfect phase invariance in some units and invariance to local diffeomorphic transformations in others. At the same time, we uncover representational differences with ResNet-50 in its corresponding layers. We conclude that invariance transformations are a major computational component learned by DNNs and we provide a systematic method to study them.

We propose Mish, a novel self-regularized non-monotonic activation function which can be mathematically defined as: f(x)=xtanh(softplus(x)). As activation functions play a crucial role in the performance and training dynamics in neural networks, we validated experimentally on several well-known benchmarks against the best combinations of architectures and activation functions. We also observe that data augmentation techniques have a favorable effect on benchmarks like ImageNet-1k and MS-COCO across multiple architectures. For example, Mish outperformed Leaky ReLU on YOLOv4 with a CSP-DarkNet-53 backbone on average precision (AP_{50}^{val}) by 2.1% in MS-COCO object detection and ReLU on ResNet-50 on ImageNet-1k in Top-1 accuracy by approx1% while keeping all other network parameters and hyperparameters constant. Furthermore, we explore the mathematical formulation of Mish in relation with the Swish family of functions and propose an intuitive understanding on how the first derivative behavior may be acting as a regularizer helping the optimization of deep neural networks. Code is publicly available at https://github.com/digantamisra98/Mish.

Selecting the most suitable activation function is a critical factor in the effectiveness of deep learning models, as it influences their learning capacity, stability, and computational efficiency. In recent years, the Gaussian Error Linear Unit (GELU) activation function has emerged as a dominant method, surpassing traditional functions such as the Rectified Linear Unit (ReLU) in various applications. This study presents a rigorous mathematical investigation of the GELU activation function, exploring its differentiability, boundedness, stationarity, and smoothness properties in detail. Additionally, we conduct an extensive experimental comparison of the GELU function against a broad range of alternative activation functions, utilizing a residual convolutional network trained on the CIFAR-10, CIFAR-100, and STL-10 datasets as the empirical testbed. Our results demonstrate the superior performance of GELU compared to other activation functions, establishing its suitability for a wide range of deep learning applications. This comprehensive study contributes to a more profound understanding of the underlying mathematical properties of GELU and provides valuable insights for practitioners aiming to select activation functions that optimally align with their specific objectives and constraints in deep learning.

We analyze a family of large language models in such a lightweight manner that can be done on a single GPU. Specifically, we focus on the OPT family of models ranging from 125m to 66b parameters and rely only on whether an FFN neuron is activated or not. First, we find that the early part of the network is sparse and represents many discrete features. Here, many neurons (more than 70% in some layers of the 66b model) are "dead", i.e. they never activate on a large collection of diverse data. At the same time, many of the alive neurons are reserved for discrete features and act as token and n-gram detectors. Interestingly, their corresponding FFN updates not only promote next token candidates as could be expected, but also explicitly focus on removing the information about triggering them tokens, i.e., current input. To the best of our knowledge, this is the first example of mechanisms specialized at removing (rather than adding) information from the residual stream. With scale, models become more sparse in a sense that they have more dead neurons and token detectors. Finally, some neurons are positional: them being activated or not depends largely (or solely) on position and less so (or not at all) on textual data. We find that smaller models have sets of neurons acting as position range indicators while larger models operate in a less explicit manner.

We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Taken together, our findings suggest that LLMs contain internal abstractions of general-purpose functions that can be invoked in a variety of contexts.

The out-of-distribution (OOD) problem generally arises when neural networks encounter data that significantly deviates from the training data distribution, i.e., in-distribution (InD). In this paper, we study the OOD problem from a neuron activation view. We first formulate neuron activation states by considering both the neuron output and its influence on model decisions. Then, to characterize the relationship between neurons and OOD issues, we introduce the neuron activation coverage (NAC) -- a simple measure for neuron behaviors under InD data. Leveraging our NAC, we show that 1) InD and OOD inputs can be largely separated based on the neuron behavior, which significantly eases the OOD detection problem and beats the 21 previous methods over three benchmarks (CIFAR-10, CIFAR-100, and ImageNet-1K). 2) a positive correlation between NAC and model generalization ability consistently holds across architectures and datasets, which enables a NAC-based criterion for evaluating model robustness. Compared to prevalent InD validation criteria, we show that NAC not only can select more robust models, but also has a stronger correlation with OOD test performance.

Interpretability researchers have attempted to understand MLP neurons of language models based on both the contexts in which they activate and their output weight vectors. They have paid little attention to a complementary aspect: the interactions between input and output. For example, when neurons detect a direction in the input, they might add much the same direction to the residual stream ("enrichment neurons") or reduce its presence ("depletion neurons"). We address this aspect by examining the cosine similarity between input and output weights of a neuron. We apply our method to 12 models and find that enrichment neurons dominate in early-middle layers whereas later layers tend more towards depletion. To explain this finding, we argue that enrichment neurons are largely responsible for enriching concept representations, one of the first steps of factual recall. Our input-output perspective is a complement to activation-dependent analyses and to approaches that treat input and output separately.

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, but they can also fail to do so. This suggests some degree of metacognition -- the capacity to monitor one's own cognitive processes for subsequent reporting and self-control. Metacognitive abilities enhance AI capabilities but raise safety concerns, as models might obscure their internal processes to evade neural-activation-based oversight mechanisms designed to detect harmful behaviors. Given society's increased reliance on these models, it is critical that we understand the limits of their metacognitive abilities, particularly their ability to monitor their internal activations. To address this, we introduce a neuroscience-inspired neurofeedback paradigm designed to quantify the ability of LLMs to explicitly report and control their activation patterns. By presenting models with sentence-label pairs where labels correspond to sentence-elicited internal activations along specific directions in the neural representation space, we demonstrate that LLMs can learn to report and control these activations. The performance varies with several factors: the number of example pairs provided, the semantic interpretability of the target neural direction, and the variance explained by that direction. These results reveal a "metacognitive space" with dimensionality much lower than the model's neural space, suggesting LLMs can monitor only a subset of their neural mechanisms. Our findings provide empirical evidence quantifying metacognitive capabilities in LLMs, with significant implications for AI safety.

Activation sparsity denotes the existence of substantial weakly-contributed elements within activation outputs that can be eliminated, benefiting many important applications concerned with large language models (LLMs). Although promoting greater activation sparsity within LLMs deserves deep studies, existing works lack comprehensive and quantitative research on the correlation between activation sparsity and potentially influential factors. In this paper, we present a comprehensive study on the quantitative scaling properties and influential factors of the activation sparsity within decoder-only Transformer-based LLMs. Specifically, we propose PPL-p% sparsity, a precise and performance-aware activation sparsity metric that is applicable to any activation function. Through extensive experiments, we find several important phenomena. Firstly, different activation functions exhibit comparable performance but opposite training-time sparsity trends. The activation ratio (i.e., 1-sparsity ratio) evolves as a convergent increasing power-law and decreasing logspace power-law with the amount of training data for SiLU-activated and ReLU-activated LLMs, respectively. These demonstrate that ReLU is more efficient as the activation function than SiLU and can leverage more training data to improve activation sparsity. Secondly, the activation ratio linearly increases with the width-depth ratio below a certain bottleneck point, indicating the potential advantage of a deeper architecture at a fixed parameter scale. Finally, at similar width-depth ratios, we surprisingly find that the limit value of activation sparsity varies weakly with the parameter scale, i.e., the activation patterns within LLMs are insensitive to the parameter scale. These empirical laws towards LLMs with greater activation sparsity have important implications for making LLMs more efficient and interpretable.

Large Language Models (LLMs) have impressive capabilities, but are prone to outputting falsehoods. Recent work has developed techniques for inferring whether a LLM is telling the truth by training probes on the LLM's internal activations. However, this line of work is controversial, with some authors pointing out failures of these probes to generalize in basic ways, among other conceptual issues. In this work, we use high-quality datasets of simple true/false statements to study in detail the structure of LLM representations of truth, drawing on three lines of evidence: 1. Visualizations of LLM true/false statement representations, which reveal clear linear structure. 2. Transfer experiments in which probes trained on one dataset generalize to different datasets. 3. Causal evidence obtained by surgically intervening in a LLM's forward pass, causing it to treat false statements as true and vice versa. Overall, we present evidence that at sufficient scale, LLMs linearly represent the truth or falsehood of factual statements. We also show that simple difference-in-mean probes generalize as well as other probing techniques while identifying directions which are more causally implicated in model outputs.

We introduce stochastic activations. This novel strategy randomly selects between several non-linear functions in the feed-forward layer of a large language model. In particular, we choose between SILU or RELU depending on a Bernoulli draw. This strategy circumvents the optimization problem associated with RELU, namely, the constant shape for negative inputs that prevents the gradient flow. We leverage this strategy in two ways: (1) We use stochastic activations during pre-training and fine-tune the model with RELU, which is used at inference time to provide sparse latent vectors. This reduces the inference FLOPs and translates into a significant speedup in the CPU. Interestingly, this leads to much better results than training from scratch with the RELU activation function. (2) We evaluate stochastic activations for generation. This strategy performs reasonably well: it is only slightly inferior to the best deterministic non-linearity, namely SILU combined with temperature scaling. This offers an alternative to existing strategies by providing a controlled way to increase the diversity of the generated text.

We analyze the storage and recall of factual associations in autoregressive transformer language models, finding evidence that these associations correspond to localized, directly-editable computations. We first develop a causal intervention for identifying neuron activations that are decisive in a model's factual predictions. This reveals a distinct set of steps in middle-layer feed-forward modules that mediate factual predictions while processing subject tokens. To test our hypothesis that these computations correspond to factual association recall, we modify feed-forward weights to update specific factual associations using Rank-One Model Editing (ROME). We find that ROME is effective on a standard zero-shot relation extraction (zsRE) model-editing task, comparable to existing methods. To perform a more sensitive evaluation, we also evaluate ROME on a new dataset of counterfactual assertions, on which it simultaneously maintains both specificity and generalization, whereas other methods sacrifice one or another. Our results confirm an important role for mid-layer feed-forward modules in storing factual associations and suggest that direct manipulation of computational mechanisms may be a feasible approach for model editing. The code, dataset, visualizations, and an interactive demo notebook are available at https://rome.baulab.info/

Deep networks are gradually penetrating almost every domain in our lives due to their amazing success. However, with substantive performance accuracy improvements comes the price of irreproducibility. Two identical models, trained on the exact same training dataset may exhibit large differences in predictions on individual examples even when average accuracy is similar, especially when trained on highly distributed parallel systems. The popular Rectified Linear Unit (ReLU) activation has been key to recent success of deep networks. We demonstrate, however, that ReLU is also a catalyzer to irreproducibility in deep networks. We show that not only can activations smoother than ReLU provide better accuracy, but they can also provide better accuracy-reproducibility tradeoffs. We propose a new family of activations; Smooth ReLU (SmeLU), designed to give such better tradeoffs, while also keeping the mathematical expression simple, and thus implementation cheap. SmeLU is monotonic, mimics ReLU, while providing continuous gradients, yielding better reproducibility. We generalize SmeLU to give even more flexibility and then demonstrate that SmeLU and its generalized form are special cases of a more general methodology of REctified Smooth Continuous Unit (RESCU) activations. Empirical results demonstrate the superior accuracy-reproducibility tradeoffs with smooth activations, SmeLU in particular.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

Transformer models encounter challenges in scaling hidden dimensions efficiently, as uniformly increasing them inflates computational and memory costs while failing to emphasize the most relevant features for each token. For further understanding, we study hidden dimension sparsity and observe that trained Transformers utilize only a small fraction of token dimensions, revealing an "activation flow" pattern. Notably, there are shared sub-dimensions with sustained activation across multiple consecutive tokens and specialized sub-dimensions uniquely activated for each token. To better model token-relevant sub-dimensions, we propose MoHD (Mixture of Hidden Dimensions), a sparse conditional activation architecture. Particularly, MoHD employs shared sub-dimensions for common token features and a routing mechanism to dynamically activate specialized sub-dimensions. To mitigate potential information loss from sparsity, we design activation scaling and group fusion mechanisms to preserve activation flow. In this way, MoHD expands hidden dimensions with negligible increases in computation or parameters, efficient training and inference while maintaining performance. Evaluations across 10 NLP tasks show that MoHD surpasses Vanilla Transformers in parameter efficiency and task performance. It achieves 1.7% higher performance with 50% fewer activation parameters and 3.7% higher performance with a 3x parameter expansion at constant activation cost. MOHD offers a new perspective for scaling the model, showcasing the potential of hidden dimension sparsity to boost efficiency

The choice of activation function plays a critical role in neural networks, yet most architectures still rely on fixed, uniform activation functions across all neurons. We introduce SmartMixed, a two-phase training strategy that allows networks to learn optimal per-neuron activation functions while preserving computational efficiency at inference. In the first phase, neurons adaptively select from a pool of candidate activation functions (ReLU, Sigmoid, Tanh, Leaky ReLU, ELU, SELU) using a differentiable hard-mixture mechanism. In the second phase, each neuron's activation function is fixed according to the learned selection, resulting in a computationally efficient network that supports continued training with optimized vectorized operations. We evaluate SmartMixed on the MNIST dataset using feedforward neural networks of varying depths. The analysis shows that neurons in different layers exhibit distinct preferences for activation functions, providing insights into the functional diversity within neural architectures.

As artificial intelligence models have exploded in scale and capability, understanding of their internal mechanisms remains a critical challenge. Inspired by the success of dynamical systems approaches in neuroscience, here we propose a novel framework for studying computations in deep learning systems. We focus on the residual stream (RS) in transformer models, conceptualizing it as a dynamical system evolving across layers. We find that activations of individual RS units exhibit strong continuity across layers, despite the RS being a non-privileged basis. Activations in the RS accelerate and grow denser over layers, while individual units trace unstable periodic orbits. In reduced-dimensional spaces, the RS follows a curved trajectory with attractor-like dynamics in the lower layers. These insights bridge dynamical systems theory and mechanistic interpretability, establishing a foundation for a "neuroscience of AI" that combines theoretical rigor with large-scale data analysis to advance our understanding of modern neural networks.

Activation functions are fundamental elements of deep learning architectures as they significantly influence training dynamics. ReLU, while widely used, is prone to the dying neuron problem, which has been mitigated by variants such as LeakyReLU, PReLU, and ELU that better handle negative neuron outputs. Recently, self-gated activations like GELU and Swish have emerged as state-of-the-art alternatives, leveraging their smoothness to ensure stable gradient flow and prevent neuron inactivity. In this work, we introduce the Gompertz Linear Unit (GoLU), a novel self-gated activation function defined as GoLU(x) = x , Gompertz(x), where Gompertz(x) = e^{-e^{-x}}. The GoLU activation leverages the asymmetry in the Gompertz function to reduce variance in the latent space more effectively compared to GELU and Swish, while preserving robust gradient flow. Extensive experiments across diverse tasks, including Image Classification, Language Modeling, Semantic Segmentation, Object Detection, Instance Segmentation, and Diffusion, highlight GoLU's superior performance relative to state-of-the-art activation functions, establishing GoLU as a robust alternative to existing activation functions.

Objective: Electroencephalography signals are recorded as a multidimensional dataset. We propose a new framework based on the augmented covariance extracted from an autoregressive model to improve motor imagery classification. Methods: From the autoregressive model can be derived the Yule-Walker equations, which show the emergence of a symmetric positive definite matrix: the augmented covariance matrix. The state-of the art for classifying covariance matrices is based on Riemannian Geometry. A fairly natural idea is therefore to extend the standard approach using these augmented covariance matrices. The methodology for creating the augmented covariance matrix shows a natural connection with the delay embedding theorem proposed by Takens for dynamical systems. Such an embedding method is based on the knowledge of two parameters: the delay and the embedding dimension, respectively related to the lag and the order of the autoregressive model. This approach provides new methods to compute the hyper-parameters in addition to standard grid search. Results: The augmented covariance matrix performed noticeably better than any state-of-the-art methods. We will test our approach on several datasets and several subjects using the MOABB framework, using both within-session and cross-session evaluation. Conclusion: The improvement in results is due to the fact that the augmented covariance matrix incorporates not only spatial but also temporal information, incorporating nonlinear components of the signal through an embedding procedure, which allows the leveraging of dynamical systems algorithms. Significance: These results extend the concepts and the results of the Riemannian distance based classification algorithm.

Large language models (LLMs) exhibit remarkable capabilities on not just language tasks, but also various tasks that are not linguistic in nature, such as logical reasoning and social inference. In the human brain, neuroscience has identified a core language system that selectively and causally supports language processing. We here ask whether similar specialization for language emerges in LLMs. We identify language-selective units within 18 popular LLMs, using the same localization approach that is used in neuroscience. We then establish the causal role of these units by demonstrating that ablating LLM language-selective units -- but not random units -- leads to drastic deficits in language tasks. Correspondingly, language-selective LLM units are more aligned to brain recordings from the human language system than random units. Finally, we investigate whether our localization method extends to other cognitive domains: while we find specialized networks in some LLMs for reasoning and social capabilities, there are substantial differences among models. These findings provide functional and causal evidence for specialization in large language models, and highlight parallels with the functional organization in the brain.

Sparse Autoencoders (SAEs) have been proposed as an unsupervised approach to learn a decomposition of a model's latent space. This enables useful applications such as steering - influencing the output of a model towards a desired concept - without requiring labeled data. Current methods identify SAE features to steer by analyzing the input tokens that activate them. However, recent work has highlighted that activations alone do not fully describe the effect of a feature on the model's output. In this work, we draw a distinction between two types of features: input features, which mainly capture patterns in the model's input, and output features, which have a human-understandable effect on the model's output. We propose input and output scores to characterize and locate these types of features, and show that high values for both scores rarely co-occur in the same features. These findings have practical implications: after filtering out features with low output scores, we obtain 2-3x improvements when steering with SAEs, making them competitive with supervised methods.

Large language models (LLMs) excel at generating fluent text, but their internal reasoning remains opaque and difficult to control. Sparse autoencoders (SAEs) make hidden activations more interpretable by exposing latent features that often align with human concepts. Yet, these features are fragile and passive, offering no mechanism for systematic reasoning or model control. To address this, we introduce ActivationReasoning (AR), a framework that embeds explicit logical reasoning into the latent space of LLMs. It proceeds in three stages: (1) Finding latent representations, first latent concept representations are identified (e.g., via SAEs) and organized into a dictionary; (2) Activating propositions, at inference time AR detects activating concepts and maps them to logical propositions; and (3)Logical reasoning, applying logical rules over these propositions to infer higher-order structures, compose new concepts, and steer model behavior. We evaluate AR on multi-hop reasoning (PrOntoQA), abstraction and robustness to indirect concept cues (Rail2Country), reasoning over natural and diverse language (ProverQA), and context-sensitive safety (BeaverTails). Across all tasks, AR scales robustly with reasoning complexity, generalizes to abstract and context-sensitive tasks, and transfers across model backbones. These results demonstrate that grounding logical structure in latent activations not only improves transparency but also enables structured reasoning, reliable control, and alignment with desired behaviors, providing a path toward more reliable and auditable AI.

As generative AI systems become competent and democratized in science, business, and government, deeper insight into their failure modes now poses an acute need. The occasional volatility in their behavior, such as the propensity of transformer models to hallucinate, impedes trust and adoption of emerging AI solutions in high-stakes areas. In the present work, we establish how and when hallucinations arise in pre-trained transformer models through concept representations captured by sparse autoencoders, under scenarios with experimentally controlled uncertainty in the input space. Our systematic experiments reveal that the number of semantic concepts used by the transformer model grows as the input information becomes increasingly unstructured. In the face of growing uncertainty in the input space, the transformer model becomes prone to activate coherent yet input-insensitive semantic features, leading to hallucinated output. At its extreme, for pure-noise inputs, we identify a wide variety of robustly triggered and meaningful concepts in the intermediate activations of pre-trained transformer models, whose functional integrity we confirm through targeted steering. We also show that hallucinations in the output of a transformer model can be reliably predicted from the concept patterns embedded in transformer layer activations. This collection of insights on transformer internal processing mechanics has immediate consequences for aligning AI models with human values, AI safety, opening the attack surface for potential adversarial attacks, and providing a basis for automatic quantification of a model's hallucination risk.

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

Recent work by Anthropic on Mechanistic interpretability claims to understand and control Large Language Models by extracting human-interpretable features from their neural activation patterns using sparse autoencoders (SAEs). If successful, this approach offers one of the most promising routes for human oversight in AI safety. We conduct an initial stress-test of these claims by replicating their main results with open-source SAEs for Llama 3.1. While we successfully reproduce basic feature extraction and steering capabilities, our investigation suggests that major caution is warranted regarding the generalizability of these claims. We find that feature steering exhibits substantial fragility, with sensitivity to layer selection, steering magnitude, and context. We observe non-standard activation behavior and demonstrate the difficulty to distinguish thematically similar features from one another. While SAE-based interpretability produces compelling demonstrations in selected cases, current methods often fall short of the systematic reliability required for safety-critical applications. This suggests a necessary shift in focus from prioritizing interpretability of internal representations toward reliable prediction and control of model output. Our work contributes to a more nuanced understanding of what mechanistic interpretability has achieved and highlights fundamental challenges for AI safety that remain unresolved.

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Exploiting activation sparsity is a promising approach to significantly accelerating the inference process of large language models (LLMs) without compromising performance. However, activation sparsity is determined by activation functions, and commonly used ones like SwiGLU and GeGLU exhibit limited sparsity. Simply replacing these functions with ReLU fails to achieve sufficient sparsity. Moreover, inadequate training data can further increase the risk of performance degradation. To address these challenges, we propose a novel dReLU function, which is designed to improve LLM activation sparsity, along with a high-quality training data mixture ratio to facilitate effective sparsification. Additionally, we leverage sparse activation patterns within the Feed-Forward Network (FFN) experts of Mixture-of-Experts (MoE) models to further boost efficiency. By applying our neuron sparsification method to the Mistral and Mixtral models, only 2.5 billion and 4.3 billion parameters are activated per inference iteration, respectively, while achieving even more powerful model performance. Evaluation results demonstrate that this sparsity achieves a 2-5x decoding speedup. Remarkably, on mobile phones, our TurboSparse-Mixtral-47B achieves an inference speed of 11 tokens per second. Our models are available at https://huggingface.co/PowerInfer

In this study, we present a technique that spans multi-scale views (global scale -- meaning brain network-level and local scale -- examining each individual ROI that constitutes the network) applied to resting-state fMRI volumes. Deep learning based classification is utilized in understanding neurodegeneration. The novelty of the proposed approach lies in utilizing two extreme scales of analysis. One branch considers the entire network within graph-analysis framework. Concurrently, the second branch scrutinizes each ROI within a network independently, focusing on evolution of dynamics. For each subject, graph-based approach employs partial correlation to profile the subject in a single graph where each ROI is a node, providing insights into differences in levels of participation. In contrast, non-linear analysis employs recurrence plots to profile a subject as a multichannel 2D image, revealing distinctions in underlying dynamics. The proposed approach is employed for classification of a cohort of 50 healthy control (HC) and 50 Mild Cognitive Impairment (MCI), sourced from ADNI dataset. Results point to: (1) reduced activity in ROIs such as PCC in MCI (2) greater activity in occipital in MCI, which is not seen in HC (3) when analysed for dynamics, all ROIs in MCI show greater predictability in time-series.

Human brains respond to semantic features of presented stimuli with different neurons. It is then curious whether modern deep neural networks admit a similar behavior pattern. Specifically, this paper finds a small cluster of neurons in a diffusion model corresponding to a particular subject. We call those neurons the concept neurons. They can be identified by statistics of network gradients to a stimulation connected with the given subject. The concept neurons demonstrate magnetic properties in interpreting and manipulating generation results. Shutting them can directly yield the related subject contextualized in different scenes. Concatenating multiple clusters of concept neurons can vividly generate all related concepts in a single image. A few steps of further fine-tuning can enhance the multi-concept capability, which may be the first to manage to generate up to four different subjects in a single image. For large-scale applications, the concept neurons are environmentally friendly as we only need to store a sparse cluster of int index instead of dense float32 values of the parameters, which reduces storage consumption by 90\% compared with previous subject-driven generation methods. Extensive qualitative and quantitative studies on diverse scenarios show the superiority of our method in interpreting and manipulating diffusion models.

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.

We show that taking the width and depth to infinity in a deep neural network with skip connections, when branches are scaled by 1/depth (the only nontrivial scaling), result in the same covariance structure no matter how that limit is taken. This explains why the standard infinite-width-then-depth approach provides practical insights even for networks with depth of the same order as width. We also demonstrate that the pre-activations, in this case, have Gaussian distributions which has direct applications in Bayesian deep learning. We conduct extensive simulations that show an excellent match with our theoretical findings.

Non-linear activation functions are crucial in Convolutional Neural Networks. However, until now they have not been well described in the frequency domain. In this work, we study the spectral behavior of ReLU, a popular activation function. We use the ReLU's Taylor expansion to derive its frequency domain behavior. We demonstrate that ReLU introduces higher frequency oscillations in the signal and a constant DC component. Furthermore, we investigate the importance of this DC component, where we demonstrate that it helps the model extract meaningful features related to the input frequency content. We accompany our theoretical derivations with experiments and real-world examples. First, we numerically validate our frequency response model. Then we observe ReLU's spectral behavior on two example models and a real-world one. Finally, we experimentally investigate the role of the DC component introduced by ReLU in the CNN's representations. Our results indicate that the DC helps to converge to a weight configuration that is close to the initial random weights.

When a language model generates text, the selection of individual tokens might lead it down very different reasoning paths, making uncertainty difficult to quantify. In this work, we consider whether reasoning language models represent the alternate paths that they could take during generation. To test this hypothesis, we use hidden activations to control and predict a language model's uncertainty during chain-of-thought reasoning. In our experiments, we find a clear correlation between how uncertain a model is at different tokens, and how easily the model can be steered by controlling its activations. This suggests that activation interventions are most effective when there are alternate paths available to the model -- in other words, when it has not yet committed to a particular final answer. We also find that hidden activations can predict a model's future outcome distribution, demonstrating that models implicitly represent the space of possible paths.

Large language models (LLMs) frequently generate hallucinations -- plausible but factually incorrect outputs -- undermining their reliability. While prior work has examined hallucinations from macroscopic perspectives such as training data and objectives, the underlying neuron-level mechanisms remain largely unexplored. In this paper, we conduct a systematic investigation into hallucination-associated neurons (H-Neurons) in LLMs from three perspectives: identification, behavioral impact, and origins. Regarding their identification, we demonstrate that a remarkably sparse subset of neurons (less than 0.1% of total neurons) can reliably predict hallucination occurrences, with strong generalization across diverse scenarios. In terms of behavioral impact, controlled interventions reveal that these neurons are causally linked to over-compliance behaviors. Concerning their origins, we trace these neurons back to the pre-trained base models and find that these neurons remain predictive for hallucination detection, indicating they emerge during pre-training. Our findings bridge macroscopic behavioral patterns with microscopic neural mechanisms, offering insights for developing more reliable LLMs.

Steering methods have emerged as effective and targeted tools for guiding large language models' (LLMs) behavior without modifying their parameters. Multimodal large language models (MLLMs), however, do not currently enjoy the same suite of techniques, due in part to their recency and architectural diversity. Inspired by this gap, we investigate whether MLLMs can be steered using vectors derived from their text-only LLM backbone, via sparse autoencoders (SAEs), mean shift, and linear probing. We find that text-derived steering consistently enhances multimodal accuracy across diverse MLLM architectures and visual tasks. In particular, mean shift boosts spatial relationship accuracy on CV-Bench by up to +7.3% and counting accuracy by up to +3.3%, outperforming prompting and exhibiting strong generalization to out-of-distribution datasets. These results highlight textual steering vectors as a powerful, efficient mechanism for enhancing grounding in MLLMs with minimal additional data collection and computational overhead.

Large language models map semantically related prompts to similar internal representations -- a phenomenon interpretable as attractor-like dynamics. We ask whether the identity document of a persistent cognitive agent (its cognitive_core) exhibits analogous attractor-like behavior. We present a controlled experiment on Llama 3.1 8B Instruct, comparing hidden states of an original cognitive_core (Condition A), seven paraphrases (Condition B), and seven structurally matched controls (Condition C). Mean-pooled states at layers 8, 16, and 24 show that paraphrases converge to a tighter cluster than controls (Cohen's d > 1.88, p < 10^{-27}, Bonferroni-corrected). Replication on Gemma 2 9B confirms cross-architecture generalizability. Ablations suggest the effect is primarily semantic rather than structural, and that structural completeness appears necessary to reach the attractor region. An exploratory experiment shows that reading a scientific description of the agent shifts internal state toward the attractor -- closer than a sham preprint -- distinguishing knowing about an identity from operating as that identity. These results provide representational evidence that agent identity documents induce attractor-like geometry in LLM activation space.

Activation sparsity refers to the existence of considerable weakly-contributed elements among activation outputs. As a prevalent property of the models using the ReLU activation function, it has been proven a promising paradigm to boost model inference efficiency. Nevertheless, most large language models (LLMs) adopt activation functions without intrinsic activation sparsity (e.g., GELU and Swish). Some recent efforts have explored introducing ReLU or its variants as the substitutive activation function to help LLMs achieve activation sparsity and inference acceleration, but few can simultaneously obtain high sparsity and comparable model performance. This paper introduces an effective sparsification method named "ProSparse" to push LLMs for higher activation sparsity without decreasing model performance. Specifically, after substituting the activation function of LLMs with ReLU, ProSparse adopts progressive sparsity regularization with a factor smoothly increasing along sine curves in multiple stages. This can enhance activation sparsity and alleviate performance degradation by avoiding radical shifts in activation distribution. With ProSparse, we obtain high sparsity of 89.32% and 88.80% for LLaMA2-7B and LLaMA2-13B, respectively, achieving comparable performance to their original Swish-activated versions. Our inference acceleration experiments further demonstrate the practical acceleration brought by higher activation sparsity.

Natural language is an appealing medium for explaining how large language models process and store information, but evaluating the faithfulness of such explanations is challenging. To help address this, we develop two modes of evaluation for natural language explanations that claim individual neurons represent a concept in a text input. In the observational mode, we evaluate claims that a neuron a activates on all and only input strings that refer to a concept picked out by the proposed explanation E. In the intervention mode, we construe E as a claim that the neuron a is a causal mediator of the concept denoted by E. We apply our framework to the GPT-4-generated explanations of GPT-2 XL neurons of Bills et al. (2023) and show that even the most confident explanations have high error rates and little to no causal efficacy. We close the paper by critically assessing whether natural language is a good choice for explanations and whether neurons are the best level of analysis.

Increasingly expensive training of ever larger models such as Vision Transfomers motivate reusing the vast library of already trained state-of-the-art networks. However, their latency, high computational costs and memory demands pose significant challenges for deployment, especially on resource-constrained hardware. While structured pruning methods can reduce these factors, they often require costly retraining, sometimes for up to hundreds of epochs, or even training from scratch to recover the lost accuracy resulting from the structural modifications. Maintaining the provided performance of trained models after structured pruning and thereby avoiding extensive retraining remains a challenge. To solve this, we introduce Variance-Based Pruning, a simple and structured one-shot pruning technique for efficiently compressing networks, with minimal finetuning. Our approach first gathers activation statistics, which are used to select neurons for pruning. Simultaneously the mean activations are integrated back into the model to preserve a high degree of performance. On ImageNet-1k recognition tasks, we demonstrate that directly after pruning DeiT-Base retains over 70% of its original performance and requires only 10 epochs of fine-tuning to regain 99% of the original accuracy while simultaneously reducing MACs by 35% and model size by 36%, thus speeding up the model by 1.44x.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

Through considerable effort and intuition, several recent works have reverse-engineered nontrivial behaviors of transformer models. This paper systematizes the mechanistic interpretability process they followed. First, researchers choose a metric and dataset that elicit the desired model behavior. Then, they apply activation patching to find which abstract neural network units are involved in the behavior. By varying the dataset, metric, and units under investigation, researchers can understand the functionality of each component. We automate one of the process' steps: to identify the circuit that implements the specified behavior in the model's computational graph. We propose several algorithms and reproduce previous interpretability results to validate them. For example, the ACDC algorithm rediscovered 5/5 of the component types in a circuit in GPT-2 Small that computes the Greater-Than operation. ACDC selected 68 of the 32,000 edges in GPT-2 Small, all of which were manually found by previous work. Our code is available at https://github.com/ArthurConmy/Automatic-Circuit-Discovery.

Foundation models trained with self-supervised objectives are increasingly applied to brain recordings, but autoregressive generation of realistic multichannel neural time series remains comparatively underexplored, particularly for Magnetoencephalography (MEG). We study (i) modified multichannel WaveNet variants and (ii) a GPT-2-style Transformer, autoregressively trained by next-step prediction on unlabelled MEG. For the Transformer, we propose a simple quantization/tokenization and embedding scheme (channel, subject, and task-condition embeddings) that repurposes a language-model architecture for continuous, high-rate multichannel time series and enables conditional simulation of task-evoked activity. Across forecasting, long-horizon generation, and downstream decoding, GPT2MEG more faithfully reproduces temporal, spectral, and task-evoked statistics of real MEG than WaveNet variants and linear autoregressive baselines, and scales to multiple subjects via subject embeddings. Code available at https://github.com/ricsinaruto/MEG-transfer-decoding.

Current large language models have dangerous capabilities, which are likely to become more problematic in the future. Activation steering techniques can be used to reduce risks from these capabilities. In this paper, we investigate the efficacy of activation steering for broad skills and multiple behaviours. First, by comparing the effects of reducing performance on general coding ability and Python-specific ability, we find that steering broader skills is competitive to steering narrower skills. Second, we steer models to become more or less myopic and wealth-seeking, among other behaviours. In our experiments, combining steering vectors for multiple different behaviours into one steering vector is largely unsuccessful. On the other hand, injecting individual steering vectors at different places in a model simultaneously is promising.

Despite their widespread use, the mechanisms by which large language models (LLMs) represent and regulate uncertainty in next-token predictions remain largely unexplored. This study investigates two critical components believed to influence this uncertainty: the recently discovered entropy neurons and a new set of components that we term token frequency neurons. Entropy neurons are characterized by an unusually high weight norm and influence the final layer normalization (LayerNorm) scale to effectively scale down the logits. Our work shows that entropy neurons operate by writing onto an unembedding null space, allowing them to impact the residual stream norm with minimal direct effect on the logits themselves. We observe the presence of entropy neurons across a range of models, up to 7 billion parameters. On the other hand, token frequency neurons, which we discover and describe here for the first time, boost or suppress each token's logit proportionally to its log frequency, thereby shifting the output distribution towards or away from the unigram distribution. Finally, we present a detailed case study where entropy neurons actively manage confidence in the setting of induction, i.e. detecting and continuing repeated subsequences.

We introduce exact macroscopic on-line learning dynamics of two-layer neural networks with ReLU units in the form of a system of differential equations, using techniques borrowed from statistical physics. For the first experiments, numerical solutions reveal similar behavior compared to sigmoidal activation researched in earlier work. In these experiments the theoretical results show good correspondence with simulations. In ove-rrealizable and unrealizable learning scenarios, the learning behavior of ReLU networks shows distinctive characteristics compared to sigmoidal networks.

Neural networks can approximate complex functions, but they struggle to perform exact arithmetic operations over real numbers. The lack of inductive bias for arithmetic operations leaves neural networks without the underlying logic necessary to extrapolate on tasks such as addition, subtraction, and multiplication. We present two new neural network components: the Neural Addition Unit (NAU), which can learn exact addition and subtraction; and the Neural Multiplication Unit (NMU) that can multiply subsets of a vector. The NMU is, to our knowledge, the first arithmetic neural network component that can learn to multiply elements from a vector, when the hidden size is large. The two new components draw inspiration from a theoretical analysis of recently proposed arithmetic components. We find that careful initialization, restricting parameter space, and regularizing for sparsity is important when optimizing the NAU and NMU. Our proposed units NAU and NMU, compared with previous neural units, converge more consistently, have fewer parameters, learn faster, can converge for larger hidden sizes, obtain sparse and meaningful weights, and can extrapolate to negative and small values.

Mathematical reasoning in large language models (LMs) has garnered significant attention in recent work, but there is a limited understanding of how these models process and store information related to arithmetic tasks within their architecture. In order to improve our understanding of this aspect of language models, we present a mechanistic interpretation of Transformer-based LMs on arithmetic questions using a causal mediation analysis framework. By intervening on the activations of specific model components and measuring the resulting changes in predicted probabilities, we identify the subset of parameters responsible for specific predictions. This provides insights into how information related to arithmetic is processed by LMs. Our experimental results indicate that LMs process the input by transmitting the information relevant to the query from mid-sequence early layers to the final token using the attention mechanism. Then, this information is processed by a set of MLP modules, which generate result-related information that is incorporated into the residual stream. To assess the specificity of the observed activation dynamics, we compare the effects of different model components on arithmetic queries with other tasks, including number retrieval from prompts and factual knowledge questions.

To fully understand the behavior of a large language model (LLM) requires our understanding of its input space. If this input space differs from our assumption, our understanding of and conclusions about the LLM is likely flawed, regardless of its architecture. Here, we elucidate the structure of the token embeddings, the input domain for LLMs, both empirically and theoretically. We present a generalized and statistically testable model where the neighborhood of each token splits into well-defined signal and noise dimensions. This model is based on a generalization of a manifold called a fiber bundle, so we denote our hypothesis test as the ``fiber bundle null.'' Failing to reject the null is uninformative, but rejecting it at a specific token indicates that token has a statistically significant local structure, and so is of interest to us. By running our test over several open-source LLMs, each with unique token embeddings, we find that the null is frequently rejected, and so the token subspace is provably not a fiber bundle and hence also not a manifold. As a consequence of our findings, when an LLM is presented with two semantically equivalent prompts, and if one prompt contains a token implicated by our test, that prompt will likely exhibit more output variability proportional to the local signal dimension of the token.

Decomposing model activations into interpretable components is a key open problem in mechanistic interpretability. Sparse autoencoders (SAEs) are a popular method for decomposing the internal activations of trained transformers into sparse, interpretable features, and have been applied to MLP layers and the residual stream. In this work we train SAEs on attention layer outputs and show that also here SAEs find a sparse, interpretable decomposition. We demonstrate this on transformers from several model families and up to 2B parameters. We perform a qualitative study of the features computed by attention layers, and find multiple families: long-range context, short-range context and induction features. We qualitatively study the role of every head in GPT-2 Small, and estimate that at least 90% of the heads are polysemantic, i.e. have multiple unrelated roles. Further, we show that Sparse Autoencoders are a useful tool that enable researchers to explain model behavior in greater detail than prior work. For example, we explore the mystery of why models have so many seemingly redundant induction heads, use SAEs to motivate the hypothesis that some are long-prefix whereas others are short-prefix, and confirm this with more rigorous analysis. We use our SAEs to analyze the computation performed by the Indirect Object Identification circuit (Wang et al.), validating that the SAEs find causally meaningful intermediate variables, and deepening our understanding of the semantics of the circuit. We open-source the trained SAEs and a tool for exploring arbitrary prompts through the lens of Attention Output SAEs.

LLMs have shown remarkable capabilities, but precisely controlling their response behavior remains challenging. Existing activation steering methods alter LLM behavior indiscriminately, limiting their practical applicability in settings where selective responses are essential, such as content moderation or domain-specific assistants. In this paper, we propose Conditional Activation Steering (CAST), which analyzes LLM activation patterns during inference to selectively apply or withhold activation steering based on the input context. Our method is based on the observation that different categories of prompts activate distinct patterns in the model's hidden states. Using CAST, one can systematically control LLM behavior with rules like "if input is about hate speech or adult content, then refuse" or "if input is not about legal advice, then refuse." This allows for selective modification of responses to specific content while maintaining normal responses to other content, all without requiring weight optimization. We release an open-source implementation of our framework at github.com/IBM/activation-steering .

Reliably controlling the behavior of large language models is a pressing open problem. Existing methods include supervised finetuning, reinforcement learning from human feedback, prompt engineering and guided decoding. We instead investigate activation engineering: modifying activations at inference-time to predictably alter model behavior. We bias the forward pass with a 'steering vector' implicitly specified through natural language. Past work learned these steering vectors; our Activation Addition (ActAdd) method instead computes them by taking the activation differences which result from pairs of prompts. We demonstrate ActAdd on GPT-2 on OpenWebText and ConceptNet, and replicate the effect on Llama-13B and GPT-J-6B. Our approach yields inference-time control over high-level properties of output & preserves performance on off-target topics. The method requires far less compute and implementation effort than finetuning and RLHF, allows for natural language specification by users, and its overhead scales naturally with model size.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Concept-based explanation methods, such as Concept Activation Vectors, are potent means to quantify how abstract or high-level characteristics of input data influence the predictions of complex deep neural networks. However, applying them to industrial prediction problems is challenging as it is not immediately clear how to define and access appropriate concepts for individual use cases and specific data types. In this work, we investigate how to leverage established concept-based explanation techniques in the context of bearing fault detection with deep neural networks trained on vibration signals. Since bearings are prevalent in almost every rotating equipment, ensuring the reliability of intransparent fault detection models is crucial to prevent costly repairs and downtimes of industrial machinery. Our evaluations demonstrate that explaining opaque models in terms of vibration concepts enables human-comprehensible and intuitive insights about their inner workings, but the underlying assumptions need to be carefully validated first.

Transformers demonstrate impressive performance on a range of reasoning benchmarks. To evaluate the degree to which these abilities are a result of actual reasoning, existing work has focused on developing sophisticated benchmarks for behavioral studies. However, these studies do not provide insights into the internal mechanisms driving the observed capabilities. To improve our understanding of the internal mechanisms of transformers, we present a comprehensive mechanistic analysis of a transformer trained on a synthetic reasoning task. We identify a set of interpretable mechanisms the model uses to solve the task, and validate our findings using correlational and causal evidence. Our results suggest that it implements a depth-bounded recurrent mechanisms that operates in parallel and stores intermediate results in selected token positions. We anticipate that the motifs we identified in our synthetic setting can provide valuable insights into the broader operating principles of transformers and thus provide a basis for understanding more complex models.

Implicit Neural Representations (INRs) are a versatile and powerful tool for encoding various forms of data, including images, videos, sound, and 3D shapes. A critical factor in the success of INRs is the initialization of the network, which can significantly impact the convergence and accuracy of the learned model. Unfortunately, commonly used neural network initializations are not widely applicable for many activation functions, especially those used by INRs. In this paper, we improve upon previous initialization methods by deriving an initialization that has stable variance across layers, and applies to any activation function. We show that this generalizes many previous initialization methods, and has even better stability for well studied activations. We also show that our initialization leads to improved results with INR activation functions in multiple signal modalities. Our approach is particularly effective for Gaussian INRs, where we demonstrate that the theory of our initialization matches with task performance in multiple experiments, allowing us to achieve improvements in image, audio, and 3D surface reconstruction.

The increasing capabilities of large generative models and their ever more widespread deployment have raised concerns about their reliability, safety, and potential misuse. To address these issues, recent works have proposed to control model generation by steering model activations in order to effectively induce or prevent the emergence of concepts or behaviors in the generated output. In this paper we introduce Activation Transport (AcT), a general framework to steer activations guided by optimal transport theory that generalizes many previous activation-steering works. AcT is modality-agnostic and provides fine-grained control over the model behavior with negligible computational overhead, while minimally impacting model abilities. We experimentally show the effectiveness and versatility of our approach by addressing key challenges in large language models (LLMs) and text-to-image diffusion models (T2Is). For LLMs, we show that AcT can effectively mitigate toxicity, induce arbitrary concepts, and increase their truthfulness. In T2Is, we show how AcT enables fine-grained style control and concept negation.

Despite advances in transformer-based language models (LMs), a fundamental question remains largely unanswered: Are all layers activated during inference? We investigate this question by detecting unactivated layers (which we refer to as Voids) using a non-trainable and parameter-free adaptive computation method called L2 Adaptive Computation (LAC). We adapt LAC from its original efficiency-focused application to trace activated layers during inference. This method monitors changes in the L2-norm of activations to identify voids. We analyze layer activation in instruction-tuned LMs across two phases: Prompt Processing (PP), where we trace activated layers for each token in the input prompts, and Response Generation (RG), where we trace activated layers for each generated token. We further demonstrate that distinct layers are activated during these two phases. To show the effectiveness of our method, we evaluated three distinct instruction-tuned LMs from the Llama, Mistral, and Qwen families on three benchmarks: MMLU, GPQA Diamond, and BoolQ. For example, on MMLU with a zero-shot setting, skipping voids in Qwen2.5-7B-Instruct resulted in an improvement from 69.24 to 71.29 while the model uses only 30% of the layers. Similarly, Mistral-7B-Instruct-v0.3 on GPQA Diamond improved from 13.88 to 18.36 when using 70% of the layers during both the PP and RG phases. These results show that not all layers contribute equally during inference, and that selectively skipping most of them can improve the performance of models on certain tasks.

We propose the APTx Neuron, a novel, unified neural computation unit that integrates non-linear activation and linear transformation into a single trainable expression. The APTx Neuron is derived from the APTx activation function, thereby eliminating the need for separate activation layers and making the architecture both computationally efficient and elegant. The proposed neuron follows the functional form y = sum_{i=1}^{n} ((alpha_i + tanh(beta_i x_i)) cdot gamma_i x_i) + delta, where all parameters alpha_i, beta_i, gamma_i, and delta are trainable. We validate our APTx Neuron-based architecture on the MNIST dataset, achieving up to 96.69% test accuracy within 11 epochs using approximately 332K trainable parameters. The results highlight the superior expressiveness and computational efficiency of the APTx Neuron compared to traditional neurons, pointing toward a new paradigm in unified neuron design and the architectures built upon it.

This paper studies the emergence of interpretable categorical features within large language models (LLMs), analyzing their behavior across training checkpoints (time), transformer layers (space), and varying model sizes (scale). Using sparse autoencoders for mechanistic interpretability, we identify when and where specific semantic concepts emerge within neural activations. Results indicate clear temporal and scale-specific thresholds for feature emergence across multiple domains. Notably, spatial analysis reveals unexpected semantic reactivation, with early-layer features re-emerging at later layers, challenging standard assumptions about representational dynamics in transformer models.

In this paper, we identify a sparse reward subsystem within the hidden states of Large Language Models (LLMs), drawing an analogy to the biological reward subsystem in the human brain. We demonstrate that this subsystem contains value neurons that represent the model's internal expectation of state value, and through intervention experiments, we establish the importance of these neurons for reasoning. Our experiments reveal that these value neurons are robust across diverse datasets, model scales, and architectures; furthermore, they exhibit significant transferability across different datasets and models fine-tuned from the same base model. By examining cases where value predictions and actual rewards diverge, we identify dopamine neurons within the reward subsystem which encode reward prediction errors (RPE). These neurons exhibit high activation when the reward is higher than expected and low activation when the reward is lower than expected.

Invasive brain-computer interfaces have garnered significant attention due to their high performance. The current intracranial stereoElectroEncephaloGraphy (sEEG) foundation models typically build univariate representations based on a single channel. Some of them further use Transformer to model the relationship among channels. However, due to the locality and specificity of brain computation, their performance on more difficult tasks, e.g., speech decoding, which demands intricate processing in specific brain regions, is yet to be fully investigated. We hypothesize that building multi-variate representations within certain brain regions can better capture the specific neural processing. To explore this hypothesis, we collect a well-annotated Chinese word-reading sEEG dataset, targeting language-related brain networks, over 12 subjects. Leveraging this benchmark dataset, we developed the Du-IN model that can extract contextual embeddings from specific brain regions through discrete codebook-guided mask modeling. Our model achieves SOTA performance on the downstream 61-word classification task, surpassing all baseline models. Model comparison and ablation analysis reveal that our design choices, including (i) multi-variate representation by fusing channels in vSMC and STG regions and (ii) self-supervision by discrete codebook-guided mask modeling, significantly contribute to these performances. Collectively, our approach, inspired by neuroscience findings, capitalizing on multi-variate neural representation from specific brain regions, is suitable for invasive brain modeling. It marks a promising neuro-inspired AI approach in BCI.

We propose ERA, a new paradigm that constrains the sampling entropy above given thresholds by applying specially designed activations to the outputs of models. Our approach demonstrates broad effectiveness across different domains: 1) for large language models(LLMs), boosting the AIME 2025 score for Qwen2.5-Math-7B by 37.4%; 2) for continuous control reinforcement learning agents, improving performance by more than 30% over strong baselines such as SAC on the challenging HumanoidBench; 3) for image classification, enhancing ImageNet top-1 accuracy by 0.69% for ResNet-50. These gains are achieved with a computational overhead of less than 7%. Our work validates output activation as a powerful tool for entropy control, opening a new direction for designing simpler and more robust algorithms.

In this paper, we explore the application of mean field theory, a technique from statistical physics, to deep metric learning and address the high training complexity commonly associated with conventional metric learning loss functions. By adapting mean field theory for deep metric learning, we develop an approach to design classification-based loss functions from pair-based ones, which can be considered complementary to the proxy-based approach. Applying the mean field theory to two pair-based loss functions, we derive two new loss functions, MeanFieldContrastive and MeanFieldClassWiseMultiSimilarity losses, with reduced training complexity. We extensively evaluate these derived loss functions on three image-retrieval datasets and demonstrate that our loss functions outperform baseline methods in two out of the three datasets.

Interpretability research on large language models (LLMs) has yielded important insights into model behaviour, yet recurring pitfalls persist: findings that do not generalise, and causal interpretations that outrun the evidence. Our position is that causal inference specifies what constitutes a valid mapping from model activations to invariant high-level structures, the data or assumptions needed to achieve it, and the inferences it can support. Specifically, Pearl's causal hierarchy clarifies what an interpretability study can justify. Observations establish associations between model behaviour and internal components. Interventions (e.g., ablations or activation patching) support claims how these edits affect a behavioural metric (e.g., average change in token probabilities) over a set of prompts. However, counterfactual claims -- i.e., asking what the model output would have been for the same prompt under an unobserved intervention -- remain largely unverifiable without controlled supervision. We show how causal representation learning (CRL) operationalises this hierarchy, specifying which variables are recoverable from activations and under what assumptions. Together, these motivate a diagnostic framework that helps practitioners select methods and evaluations matching claims to evidence such that findings generalise.

Activation steering methods were shown to be effective in conditioning language model generation by additively intervening over models' intermediate representations. However, the evaluation of these techniques has so far been limited to single conditioning properties and synthetic settings. In this work, we conduct a comprehensive evaluation of various activation steering strategies, highlighting the property-dependent nature of optimal parameters to ensure a robust effect throughout generation. To address this issue, we propose Dynamic Activation Composition, an information-theoretic approach to modulate the steering intensity of one or more properties throughout generation. Our experiments on multi-property steering show that our method successfully maintains high conditioning while minimizing the impact of conditioning on generation fluency.

The human brain is autonomously active, being characterized by a self-sustained neural activity which would be present even in the absence of external sensory stimuli. Here we study the interrelation between the self-sustained activity in autonomously active recurrent neural nets and external sensory stimuli. There is no a priori semantical relation between the influx of external stimuli and the patterns generated internally by the autonomous and ongoing brain dynamics. The question then arises when and how are semantic correlations between internal and external dynamical processes learned and built up? We study this problem within the paradigm of transient state dynamics for the neural activity in recurrent neural nets, i.e. for an autonomous neural activity characterized by an infinite time-series of transiently stable attractor states. We propose that external stimuli will be relevant during the sensitive periods, {\it viz} the transition period between one transient state and the subsequent semi-stable attractor. A diffusive learning signal is generated unsupervised whenever the stimulus influences the internal dynamics qualitatively. For testing we have presented to the model system stimuli corresponding to the bars and stripes problem. We found that the system performs a non-linear independent component analysis on its own, being continuously and autonomously active. This emergent cognitive capability results here from a general principle for the neural dynamics, the competition between neural ensembles.

In large language models (LLMs), certain neurons can store distinct pieces of knowledge learned during pretraining. While knowledge typically appears as a combination of relations and entities, it remains unclear whether some neurons focus on a relation itself -- independent of any entity. We hypothesize such neurons detect a relation in the input text and guide generation involving such a relation. To investigate this, we study the Llama-2 family on a chosen set of relations with a statistics-based method. Our experiments demonstrate the existence of relation-specific neurons. We measure the effect of selectively deactivating candidate neurons specific to relation r on the LLM's ability to handle (1) facts whose relation is r and (2) facts whose relation is a different relation r' neq r. With respect to their capacity for encoding relation information, we give evidence for the following three properties of relation-specific neurons. (i) Neuron cumulativity. The neurons for r present a cumulative effect so that deactivating a larger portion of them results in the degradation of more facts in r. (ii) Neuron versatility. Neurons can be shared across multiple closely related as well as less related relations. Some relation neurons transfer across languages. (iii) Neuron interference. Deactivating neurons specific to one relation can improve LLM generation performance for facts of other relations. We will make our code publicly available at https://github.com/cisnlp/relation-specific-neurons.

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.

A proper initialization of the weights in a neural network is critical to its convergence. Current insights into weight initialization come primarily from linear activation functions. In this paper, I develop a theory for weight initializations with non-linear activations. First, I derive a general weight initialization strategy for any neural network using activation functions differentiable at 0. Next, I derive the weight initialization strategy for the Rectified Linear Unit (RELU), and provide theoretical insights into why the Xavier initialization is a poor choice with RELU activations. My analysis provides a clear demonstration of the role of non-linearities in determining the proper weight initializations.

Activation sparsity improves compute efficiency and resource utilization in sparsity-aware neural network accelerators. As the predominant operation in DNNs is multiply-accumulate (MAC) of activations with weights to compute inner products, skipping operations where (at least) one of the two operands is zero can make inference more efficient in terms of latency and power. Spatial sparsification of activations is a popular topic in DNN literature and several methods have already been established to bias a DNN for it. On the other hand, temporal sparsity is an inherent feature of bio-inspired spiking neural networks (SNNs), which neuromorphic processing exploits for hardware efficiency. Introducing and exploiting spatio-temporal sparsity, is a topic much less explored in DNN literature, but in perfect resonance with the trend in DNN, to shift from static signal processing to more streaming signal processing. Towards this goal, in this paper we introduce a new DNN layer (called Delta Activation Layer), whose sole purpose is to promote temporal sparsity of activations during training. A Delta Activation Layer casts temporal sparsity into spatial activation sparsity to be exploited when performing sparse tensor multiplications in hardware. By employing delta inference and ``the usual'' spatial sparsification heuristics during training, the resulting model learns to exploit not only spatial but also temporal activation sparsity (for a given input data distribution). One may use the Delta Activation Layer either during vanilla training or during a refinement phase. We have implemented Delta Activation Layer as an extension of the standard Tensoflow-Keras library, and applied it to train deep neural networks on the Human Action Recognition (UCF101) dataset. We report an almost 3x improvement of activation sparsity, with recoverable loss of model accuracy after longer training.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

The input space of a neural network with ReLU-like activations is partitioned into multiple linear regions, each corresponding to a specific activation pattern of the included ReLU-like activations. We demonstrate that this partition exhibits the following encoding properties across a variety of deep learning models: (1) {\it determinism}: almost every linear region contains at most one training example. We can therefore represent almost every training example by a unique activation pattern, which is parameterized by a {\it neural code}; and (2) {\it categorization}: according to the neural code, simple algorithms, such as K-Means, K-NN, and logistic regression, can achieve fairly good performance on both training and test data. These encoding properties surprisingly suggest that {\it normal neural networks well-trained for classification behave as hash encoders without any extra efforts.} In addition, the encoding properties exhibit variability in different scenarios. {Further experiments demonstrate that {\it model size}, {\it training time}, {\it training sample size}, {\it regularization}, and {\it label noise} contribute in shaping the encoding properties, while the impacts of the first three are dominant.} We then define an {\it activation hash phase chart} to represent the space expanded by {model size}, training time, training sample size, and the encoding properties, which is divided into three canonical regions: {\it under-expressive regime}, {\it critically-expressive regime}, and {\it sufficiently-expressive regime}. The source code package is available at https://github.com/LeavesLei/activation-code.

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.

Interpreting individual neurons or directions in activations space is an important component of mechanistic interpretability. As such, many algorithms have been proposed to automatically produce neuron explanations, but it is often not clear how reliable these explanations are, or which methods produce the best explanations. This can be measured via crowd-sourced evaluations, but they can often be noisy and expensive, leading to unreliable results. In this paper, we carefully analyze the evaluation pipeline and develop a cost-effective and highly accurate crowdsourced evaluation strategy. In contrast to previous human studies that only rate whether the explanation matches the most highly activating inputs, we estimate whether the explanation describes neuron activations across all inputs. To estimate this effectively, we introduce a novel application of importance sampling to determine which inputs are the most valuable to show to raters, leading to around 30x cost reduction compared to uniform sampling. We also analyze the label noise present in crowd-sourced evaluations and propose a Bayesian method to aggregate multiple ratings leading to a further ~5x reduction in number of ratings required for the same accuracy. Finally, we use these methods to conduct a large-scale study comparing the quality of neuron explanations produced by the most popular methods for two different vision models.

Large language models (LLMs) can reliably distinguish grammatical from ungrammatical sentences, but how grammatical knowledge is represented within the models remains an open question. We investigate whether different syntactic phenomena recruit shared or distinct components in LLMs. Using a functional localization approach inspired by cognitive neuroscience, we identify the LLM units most responsive to 67 English syntactic phenomena in seven open-weight models. These units are consistently recruited across sentences containing the phenomena and causally support the models' syntactic performance. Critically, different types of syntactic agreement (e.g., subject-verb, anaphor, determiner-noun) recruit overlapping sets of units, suggesting that agreement constitutes a meaningful functional category for LLMs. This pattern holds in English, Russian, and Chinese; and further, in a cross-lingual analysis of 57 diverse languages, structurally more similar languages share more units for subject-verb agreement. Taken together, these findings reveal that syntactic agreement-a critical marker of syntactic dependencies-constitutes a meaningful category within LLMs' representational spaces.

LLMs increasingly exhibit over-refusal behavior, where safety mechanisms cause models to reject benign instructions that superficially resemble harmful content. This phenomena diminishes utility in production applications that repeatedly rely on common prompt templates or applications that frequently rely on LLMs for specific tasks (e.g. sentiment analysis, language translation). Through comprehensive evaluation, we demonstrate that LLMs still tend to refuse responses to harmful instructions when those instructions are reframed to appear as benign tasks. Our mechanistic analysis reveal that LLMs follow distinct "constellation" patterns in embedding space as representations traverse layers, with each task maintaining consistent trajectories that shift predictably between refusal and non-refusal cases. We introduce SafeConstellations, an inference-time trajectory-shifting approach that tracks task-specific trajectory patterns and guides representations toward non-refusal pathways. By selectively guiding model behavior only on tasks prone to over-refusal, and by preserving general model behavior, our method reduces over-refusal rates by up to 73% with minimal impact on utility-offering a principled approach to mitigating over-refusals.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by sparse we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

We introduce the use of rectified linear units (ReLU) as the classification function in a deep neural network (DNN). Conventionally, ReLU is used as an activation function in DNNs, with Softmax function as their classification function. However, there have been several studies on using a classification function other than Softmax, and this study is an addition to those. We accomplish this by taking the activation of the penultimate layer h_{n - 1} in a neural network, then multiply it by weight parameters theta to get the raw scores o_{i}. Afterwards, we threshold the raw scores o_{i} by 0, i.e. f(o) = max(0, o_{i}), where f(o) is the ReLU function. We provide class predictions y through argmax function, i.e. argmax f(x).

The development of foundation models for functional magnetic resonance imaging (fMRI) time series holds significant promise for predicting phenotypes related to disease and cognition. Current models, however, are often trained using a mask-and-reconstruct objective on small brain regions. This focus on low-level information leads to representations that are sensitive to noise and temporal fluctuations, necessitating extensive fine-tuning for downstream tasks. We introduce Brain-Semantoks, a self-supervised framework designed specifically to learn abstract representations of brain dynamics. Its architecture is built on two core innovations: a semantic tokenizer that aggregates noisy regional signals into robust tokens representing functional networks, and a self-distillation objective that enforces representational stability across time. We show that this objective is stabilized through a novel training curriculum, ensuring the model robustly learns meaningful features from low signal-to-noise time series. We demonstrate that learned representations enable strong performance on a variety of downstream tasks even when only using a linear probe. Furthermore, we provide comprehensive scaling analyses indicating more unlabeled data reliably results in out-of-distribution performance gains without domain adaptation.

Large Language Models (LLMs) are prone to hallucination, the generation of plausible yet factually incorrect statements. This work investigates the intrinsic, architectural origins of this failure mode through three primary contributions.First, to enable the reliable tracing of internal semantic failures, we propose Distributional Semantics Tracing (DST), a unified framework that integrates established interpretability techniques to produce a causal map of a model's reasoning, treating meaning as a function of context (distributional semantics). Second, we pinpoint the model's layer at which a hallucination becomes inevitable, identifying a specific commitment layer where a model's internal representations irreversibly diverge from factuality. Third, we identify the underlying mechanism for these failures. We observe a conflict between distinct computational pathways, which we interpret using the lens of dual-process theory: a fast, heuristic associative pathway (akin to System 1) and a slow, deliberate contextual pathway (akin to System 2), leading to predictable failure modes such as Reasoning Shortcut Hijacks. Our framework's ability to quantify the coherence of the contextual pathway reveals a strong negative correlation (rho = -0.863) with hallucination rates, implying that these failures are predictable consequences of internal semantic weakness. The result is a mechanistic account of how, when, and why hallucinations occur within the Transformer architecture.

Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.

Electroencephalography (EEG) and magnetoencephalography (MEG) measure neural activity non-invasively by capturing electromagnetic fields generated by dendritic currents. Although rooted in the same biophysics, EEG and MEG exhibit distinct signal patterns, further complicated by variations in sensor configurations across modalities and recording devices. Existing approaches typically rely on separate, modality- and dataset-specific models, which limits the performance and cross-domain scalability. This paper proposes BrainOmni, the first brain foundation model that generalises across heterogeneous EEG and MEG recordings. To unify diverse data sources, we introduce BrainTokenizer,the first tokenizer that quantises spatiotemporal brain activity into discrete representations. Central to BrainTokenizer is a novel Sensor Encoder that encodes sensor properties such as spatial layout, orientation, and type, enabling compatibility across devices and modalities. Building upon the discrete representations, BrainOmni learns unified semantic embeddings of brain signals by self-supervised pretraining. To the best of our knowledge, it is the first foundation model to support both EEG and MEG signals, as well as the first to incorporate large-scale MEG pretraining. A total of 1,997 hours of EEG and 656 hours of MEG data are curated and standardised from publicly available sources for pretraining. Experiments show that BrainOmni outperforms both existing foundation models and state-of-the-art task-specific models on a range of downstream tasks. It also demonstrates strong generalisation to unseen EEG and MEG devices. Further analysis reveals that joint EEG-MEG (EMEG) training yields consistent improvements across both modalities. Code and model checkpoints will be released upon acceptance.

Motivated in part by their relevance for low-precision training and quantization, massive activations in large language models (LLMs) have recently emerged as a topic of interest. However, existing analyses are limited in scope, and generalizability across architectures is unclear. This paper helps address some of these gaps by conducting an analysis of massive activations across a broad range of LLMs, including both GLU-based and non-GLU-based architectures. Our findings challenge several prior assumptions, most importantly: (1) not all massive activations are detrimental, i.e. suppressing them does not lead to an explosion of perplexity or a collapse in downstream task performance; (2) proposed mitigation strategies such as Attention KV bias are model-specific and ineffective in certain cases. We consequently investigate novel hybrid mitigation strategies; in particular pairing Target Variance Rescaling (TVR) with Attention KV bias or Dynamic Tanh (DyT) successfully balances the mitigation of massive activations with preserved downstream model performance in the scenarios we investigated. Our code is available at: https://github.com/bluorion-com/refine_massive_activations.

In an effort to understand the meaning of the intermediate representations captured by deep networks, recent papers have tried to associate specific semantic concepts to individual neural network filter responses, where interesting correlations are often found, largely by focusing on extremal filter responses. In this paper, we show that this approach can favor easy-to-interpret cases that are not necessarily representative of the average behavior of a representation. A more realistic but harder-to-study hypothesis is that semantic representations are distributed, and thus filters must be studied in conjunction. In order to investigate this idea while enabling systematic visualization and quantification of multiple filter responses, we introduce the Net2Vec framework, in which semantic concepts are mapped to vectorial embeddings based on corresponding filter responses. By studying such embeddings, we are able to show that 1., in most cases, multiple filters are required to code for a concept, that 2., often filters are not concept specific and help encode multiple concepts, and that 3., compared to single filter activations, filter embeddings are able to better characterize the meaning of a representation and its relationship to other concepts.