Daily Papers

Vision Transformer models exhibit immense power yet remain opaque to human understanding, posing challenges and risks for practical applications. While prior research has attempted to demystify these models through input attribution and neuron role analysis, there's been a notable gap in considering layer-level information and the holistic path of information flow across layers. In this paper, we investigate the significance of influential neuron paths within vision Transformers, which is a path of neurons from the model input to output that impacts the model inference most significantly. We first propose a joint influence measure to assess the contribution of a set of neurons to the model outcome. And we further provide a layer-progressive neuron locating approach that efficiently selects the most influential neuron at each layer trying to discover the crucial neuron path from input to output within the target model. Our experiments demonstrate the superiority of our method finding the most influential neuron path along which the information flows, over the existing baseline solutions. Additionally, the neuron paths have illustrated that vision Transformers exhibit some specific inner working mechanism for processing the visual information within the same image category. We further analyze the key effects of these neurons on the image classification task, showcasing that the found neuron paths have already preserved the model capability on downstream tasks, which may also shed some lights on real-world applications like model pruning. The project website including implementation code is available at https://foundation-model-research.github.io/NeuronPath/.

Multimodal Large Language Models (MLLMs) extend foundation models to real-world applications by integrating inputs such as text and vision. However, their broad knowledge capacity raises growing concerns about privacy leakage, toxicity mitigation, and intellectual property violations. Machine Unlearning (MU) offers a practical solution by selectively forgetting targeted knowledge while preserving overall model utility. When applied to MLLMs, existing neuron-editing-based MU approaches face two fundamental challenges: (1) forgetting becomes inconsistent across modalities because existing point-wise attribution methods fail to capture the structured, layer-by-layer information flow that connects different modalities; and (2) general knowledge performance declines when sensitive neurons that also support important reasoning paths are pruned, as this disrupts the model's ability to generalize. To alleviate these limitations, we propose a multimodal influential neuron path editor (MIP-Editor) for MU. Our approach introduces modality-specific attribution scores to identify influential neuron paths responsible for encoding forget-set knowledge and applies influential-path-aware neuron-editing via representation misdirection. This strategy also enables effective and coordinated forgetting across modalities while preserving the model's general capabilities. Experimental results demonstrate that MIP-Editor achieves a superior unlearning performance on multimodal tasks, with a maximum forgetting rate of 87.75% and up to 54.26% improvement in general knowledge retention. On textual tasks, MIP-Editor achieves up to 80.65% forgetting and preserves 77.9% of general performance. Codes are available at https://github.com/PreckLi/MIP-Editor.

Everyday tasks come with a target, and pretraining models around this target is what turns them into experts. In this paper, we study target-oriented language model (LM) pretraining by introducing Neuron-Activated Graph Ranking (NAG-based Ranking), a training-free and interpretable framework for target pretraining data selection. Rather than using black-box representations, our approach directly characterizes each target input by a sparse set of high-impact neurons in any off-the-shelf LLMs. Concretely, we quantify neuron impact and select the most influential neurons across layers into a compact Neuron-Activated Graph (NAG), and rank candidate data by NAG similarity to target examples. We conduct experiments across six benchmarks, where our NAG-based Ranking improves target-oriented pretraining by 4.9% on average over random sampling, and also outperforms state-of-the-art baselines by 5.3% accuracy on HellaSwag. It also remains effective under a more applicable multi-target setting, where our best setup surpasses two baselines by 1.1% and 4.1%, respectively. Furthermore, we provide a comprehensive analysis on why and how our NAG works, e.g., deactivating NAG-selected neurons (only 0.12% of all) causes a 23.5% performance collapse, and restricting NAG to the final layer incurs a 4.1% average drop, indicating that NAG captures a sparse "functional backbone" for learning target features. We release the code at https://github.com/asillycat/NAG.

Uncovering the fundamental neural correlates of biological intelligence, developing mathematical models, and conducting computational simulations are critical for advancing new paradigms in artificial intelligence (AI). In this study, we implemented a comprehensive visual decision-making model that spans from visual input to behavioral output, using a neural dynamics modeling approach. Drawing inspiration from the key components of the dorsal visual pathway in primates, our model not only aligns closely with human behavior but also reflects neural activities in primates, and achieving accuracy comparable to convolutional neural networks (CNNs). Moreover, magnetic resonance imaging (MRI) identified key neuroimaging features such as structural connections and functional connectivity that are associated with performance in perceptual decision-making tasks. A neuroimaging-informed fine-tuning approach was introduced and applied to the model, leading to performance improvements that paralleled the behavioral variations observed among subjects. Compared to classical deep learning models, our model more accurately replicates the behavioral performance of biological intelligence, relying on the structural characteristics of biological neural networks rather than extensive training data, and demonstrating enhanced resilience to perturbation.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Biologically-informed neural networks typically leverage pathway annotations to enhance performance in biomedical applications. We hypothesized that the benefits of pathway integration does not arise from its biological relevance, but rather from the sparsity it introduces. We conducted a comprehensive analysis of all relevant pathway-based neural network models for predictive tasks, critically evaluating each study's contributions. From this review, we curated a subset of methods for which the source code was publicly available. The comparison of the biologically informed state-of-the-art deep learning models and their randomized counterparts showed that models based on randomized information performed equally well as biologically informed ones across different metrics and datasets. Notably, in 3 out of the 15 analyzed models, the randomized versions even outperformed their biologically informed counterparts. Moreover, pathway-informed models did not show any clear advantage in interpretability, as randomized models were still able to identify relevant disease biomarkers despite lacking explicit pathway information. Our findings suggest that pathway annotations may be too noisy or inadequately explored by current methods. Therefore, we propose a methodology that can be applied to different domains and can serve as a robust benchmark for systematically comparing novel pathway-informed models against their randomized counterparts. This approach enables researchers to rigorously determine whether observed performance improvements can be attributed to biological insights.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

We introduce directional routing, a lightweight mechanism that gives each transformer attention head learned suppression directions controlled by a shared router, at 3.9% parameter cost. We train a 433M-parameter model alongside an identical baseline in a single run, then trace the resulting circuits through mechanistic interpretability. Routing becomes the model's dominant computational pathway. Disabling it collapses factual recall to near-zero probability across all 8 test prompts and drops induction accuracy from 93.4% to 0.0%. Knocking out individual attention heads has negligible effect: the primary mover head's removal actually increases target probability, and induction heads retain 98.6% accuracy without their strongest member. The coordination mechanism is irreplaceable; the components it coordinates are not. The model also self-organizes, without explicit pressure, into two regimes: domain-adaptive routing in early layers and fixed syntactic pruning in late layers, where the least-varying layer is the most critical (+42.6 PPL when disabled). Routing reduces perplexity 31-56% relative to the baseline, though downstream multiple-choice benchmarks do not yet reflect these gains.

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.

Understanding the inner workings of neural networks is essential for enhancing model performance and interpretability. Current research predominantly focuses on examining the connection between individual neurons and the model's final predictions. Which suffers from challenges in interpreting the internal workings of the model, particularly when neurons encode multiple unrelated features. In this paper, we propose a novel framework that transitions the focus from analyzing individual neurons to investigating groups of neurons, shifting the emphasis from neuron-output relationships to functional interaction between neurons. Our automated framework, NeurFlow, first identifies core neurons and clusters them into groups based on shared functional relationships, enabling a more coherent and interpretable view of the network's internal processes. This approach facilitates the construction of a hierarchical circuit representing neuron interactions across layers, thus improving interpretability while reducing computational costs. Our extensive empirical studies validate the fidelity of our proposed NeurFlow. Additionally, we showcase its utility in practical applications such as image debugging and automatic concept labeling, thereby highlighting its potential to advance the field of neural network explainability.

Recently, cutting-plane methods such as GCP-CROWN have been explored to enhance neural network verifiers and made significant advances. However, GCP-CROWN currently relies on generic cutting planes (cuts) generated from external mixed integer programming (MIP) solvers. Due to the poor scalability of MIP solvers, large neural networks cannot benefit from these cutting planes. In this paper, we exploit the structure of the neural network verification problem to generate efficient and scalable cutting planes specific for this problem setting. We propose a novel approach, Branch-and-bound Inferred Cuts with COnstraint Strengthening (BICCOS), which leverages the logical relationships of neurons within verified subproblems in the branch-and-bound search tree, and we introduce cuts that preclude these relationships in other subproblems. We develop a mechanism that assigns influence scores to neurons in each path to allow the strengthening of these cuts. Furthermore, we design a multi-tree search technique to identify more cuts, effectively narrowing the search space and accelerating the BaB algorithm. Our results demonstrate that BICCOS can generate hundreds of useful cuts during the branch-and-bound process and consistently increase the number of verifiable instances compared to other state-of-the-art neural network verifiers on a wide range of benchmarks, including large networks that previous cutting plane methods could not scale to. BICCOS is part of the α,β-CROWN verifier, the VNN-COMP 2024 winner. The code is available at http://github.com/Lemutisme/BICCOS .

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Learning and decision making in the brain are key processes critical to survival, and yet are processes implemented by non-ideal biological building blocks which can impose significant error. We explore quantitatively how the brain might cope with this inherent source of error by taking advantage of two ubiquitous mechanisms, redundancy and synchronization. In particular we consider a neural process whose goal is to learn a decision function by implementing a nonlinear gradient dynamics. The dynamics, however, are assumed to be corrupted by perturbations modeling the error which might be incurred due to limitations of the biology, intrinsic neuronal noise, and imperfect measurements. We show that error, and the associated uncertainty surrounding a learned solution, can be controlled in large part by trading off synchronization strength among multiple redundant neural systems against the noise amplitude. The impact of the coupling between such redundant systems is quantified by the spectrum of the network Laplacian, and we discuss the role of network topology in synchronization and in reducing the effect of noise. A range of situations in which the mechanisms we model arise in brain science are discussed, and we draw attention to experimental evidence suggesting that cortical circuits capable of implementing the computations of interest here can be found on several scales. Finally, simulations comparing theoretical bounds to the relevant empirical quantities show that the theoretical estimates we derive can be tight.

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.

Transformer models underpin many recent advances in practical machine learning applications, yet understanding their internal behavior continues to elude researchers. Given the size and complexity of these models, forming a comprehensive picture of their inner workings remains a significant challenge. To this end, we set out to understand small transformer models in a more tractable setting: that of solving mazes. In this work, we focus on the abstractions formed by these models and find evidence for the consistent emergence of structured internal representations of maze topology and valid paths. We demonstrate this by showing that the residual stream of only a single token can be linearly decoded to faithfully reconstruct the entire maze. We also find that the learned embeddings of individual tokens have spatial structure. Furthermore, we take steps towards deciphering the circuity of path-following by identifying attention heads (dubbed adjacency heads), which are implicated in finding valid subsequent tokens.

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.

Safety fine-tuning algorithms are commonly used to fine-tune language models to reduce harmful outputs, but the exact internal mechanisms of how those models achieve this remain unclear. In studying direct preference optimisation (DPO) for toxicity reduction, current explanations claim that DPO works by dampening the most toxic MLP neurons to learn an offset to avert toxic regions in the residual stream. However, by ablating the most toxic neurons and applying activation patching, we find this explanation incomplete. By projecting neuron activation changes onto a toxicity probe, we find that only 31.8\% of toxicity reduction comes from dampened toxic neurons. Instead, DPO reduces toxicity by accumulating effects across multiple neuron groups, both reducing writing in the toxic direction and promoting anti-toxicity in the residual stream. Moreover, DPO gives noisy adjustments to neuron activations, with many neurons actually increasing toxicity. This indicates that DPO is a balancing process between opposing neuron effects to achieve toxicity reduction.

A basic question within the emerging field of mechanistic interpretability is the degree to which neural networks learn the same underlying mechanisms. In other words, are neural mechanisms universal across different models? In this work, we study the universality of individual neurons across GPT2 models trained from different initial random seeds, motivated by the hypothesis that universal neurons are likely to be interpretable. In particular, we compute pairwise correlations of neuron activations over 100 million tokens for every neuron pair across five different seeds and find that 1-5\% of neurons are universal, that is, pairs of neurons which consistently activate on the same inputs. We then study these universal neurons in detail, finding that they usually have clear interpretations and taxonomize them into a small number of neuron families. We conclude by studying patterns in neuron weights to establish several universal functional roles of neurons in simple circuits: deactivating attention heads, changing the entropy of the next token distribution, and predicting the next token to (not) be within a particular set.

Designing a high-efficiency and high-quality expressive network architecture has always been the most important research topic in the field of deep learning. Most of today's network design strategies focus on how to integrate features extracted from different layers, and how to design computing units to effectively extract these features, thereby enhancing the expressiveness of the network. This paper proposes a new network design strategy, i.e., to design the network architecture based on gradient path analysis. On the whole, most of today's mainstream network design strategies are based on feed forward path, that is, the network architecture is designed based on the data path. In this paper, we hope to enhance the expressive ability of the trained model by improving the network learning ability. Due to the mechanism driving the network parameter learning is the backward propagation algorithm, we design network design strategies based on back propagation path. We propose the gradient path design strategies for the layer-level, the stage-level, and the network-level, and the design strategies are proved to be superior and feasible from theoretical analysis and experiments.

Networks capture our intuition about relationships in the world. They describe the friendships between Facebook users, interactions in financial markets, and synapses connecting neurons in the brain. These networks are richly structured with cliques of friends, sectors of stocks, and a smorgasbord of cell types that govern how neurons connect. Some networks, like social network friendships, can be directly observed, but in many cases we only have an indirect view of the network through the actions of its constituents and an understanding of how the network mediates that activity. In this work, we focus on the problem of latent network discovery in the case where the observable activity takes the form of a mutually-excitatory point process known as a Hawkes process. We build on previous work that has taken a Bayesian approach to this problem, specifying prior distributions over the latent network structure and a likelihood of observed activity given this network. We extend this work by proposing a discrete-time formulation and developing a computationally efficient stochastic variational inference (SVI) algorithm that allows us to scale the approach to long sequences of observations. We demonstrate our algorithm on the calcium imaging data used in the Chalearn neural connectomics challenge.

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.

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

We present a simple mathematical model for the mammalian low visual pathway, taking into account its key elements: retina, lateral geniculate nucleus (LGN), primary visual cortex (V1). The analogies between the cortical level of the visual system and the structure of popular CNNs, used in image classification tasks, suggests the introduction of an additional preliminary convolutional module inspired to precortical neuronal circuits to improve robustness with respect to global light intensity and contrast variations in the input images. We validate our hypothesis on the popular databases MNIST, FashionMNIST and SVHN, obtaining significantly more robust CNNs with respect to these variations, once such extra module is added.

Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control. Specifically, we translate C. elegans locomotion circuits into an ANN model controlling a simulated Swimmer agent. On a locomotion task, our architecture achieves good initial performance and asymptotic performance comparable with MLPs, while dramatically improving data efficiency and requiring orders of magnitude fewer parameters. Our architecture is interpretable and transfers to new body designs. An ablation analysis shows that constrained excitation/inhibition is crucial for learning, while weight initialization contributes to good initial performance. Our work demonstrates several advantages of biologically inspired ANN architecture and encourages future work in more complex embodied control.

Recent advancements have scaled neural networks to unprecedented sizes, achieving remarkable performance across a wide range of tasks. However, deploying these large-scale models on resource-constrained devices poses significant challenges due to substantial storage and computational requirements. Neural network pruning has emerged as an effective technique to mitigate these limitations by reducing model size and complexity. In this paper, we introduce an intuitive and interpretable pruning method based on activation statistics, rooted in information theory and statistical analysis. Our approach leverages the statistical properties of neuron activations to identify and remove weights with minimal contributions to neuron outputs. Specifically, we build a distribution of weight contributions across the dataset and utilize its parameters to guide the pruning process. Furthermore, we propose a Pruning-aware Training strategy that incorporates an additional regularization term to enhance the effectiveness of our pruning method. Extensive experiments on multiple datasets and network architectures demonstrate that our method consistently outperforms several baseline and state-of-the-art pruning techniques.

We introduce a mathematically rigorous framework based on rough path theory to model stochastic spiking neural networks (SSNNs) as stochastic differential equations with event discontinuities (Event SDEs) and driven by c\`adl\`ag rough paths. Our formalism is general enough to allow for potential jumps to be present both in the solution trajectories as well as in the driving noise. We then identify a set of sufficient conditions ensuring the existence of pathwise gradients of solution trajectories and event times with respect to the network's parameters and show how these gradients satisfy a recursive relation. Furthermore, we introduce a general-purpose loss function defined by means of a new class of signature kernels indexed on c\`adl\`ag rough paths and use it to train SSNNs as generative models. We provide an end-to-end autodifferentiable solver for Event SDEs and make its implementation available as part of the diffrax library. Our framework is, to our knowledge, the first enabling gradient-based training of SSNNs with noise affecting both the spike timing and the network's dynamics.

How neuronal circuits achieve credit assignment remains a central unsolved question in systems neuroscience. Various studies have suggested plausible solutions for back-propagating error signals through multi-layer networks. These purely functionally motivated models assume distinct neuronal compartments to represent local error signals that determine the sign of synaptic plasticity. However, this explicit error modulation is inconsistent with phenomenological plasticity models in which the sign depends primarily on postsynaptic activity. Here we show how a plausible microcircuit model and Hebbian learning rule derived within an adaptive control theory framework can resolve this discrepancy. Assuming errors are encoded in top-down dis-inhibitory synaptic afferents, we show that error-modulated learning emerges naturally at the circuit level when recurrent inhibition explicitly influences Hebbian plasticity. The same learning rule accounts for experimentally observed plasticity in the absence of inhibition and performs comparably to back-propagation of error (BP) on several non-linearly separable benchmarks. Our findings bridge the gap between functional and experimentally observed plasticity rules and make concrete predictions on inhibitory modulation of excitatory plasticity.

Quantifying the causal influence of input features within neural networks has become a topic of increasing interest. Existing approaches typically assess direct, indirect, and total causal effects. This work treats NNs as structural causal models (SCMs) and extends our focus to include intrinsic causal contributions (ICC). We propose an identifiable generative post-hoc framework for quantifying ICC. We also draw a relationship between ICC and Sobol' indices. Our experiments on synthetic and real-world datasets demonstrate that ICC generates more intuitive and reliable explanations compared to existing global explanation techniques.

Mathematical reasoning is an increasingly important indicator of large language model (LLM) capabilities, yet we lack understanding of how LLMs process even simple mathematical tasks. To address this, we reverse engineer how three mid-sized LLMs compute addition. We first discover that numbers are represented in these LLMs as a generalized helix, which is strongly causally implicated for the tasks of addition and subtraction, and is also causally relevant for integer division, multiplication, and modular arithmetic. We then propose that LLMs compute addition by manipulating this generalized helix using the "Clock" algorithm: to solve a+b, the helices for a and b are manipulated to produce the a+b answer helix which is then read out to model logits. We model influential MLP outputs, attention head outputs, and even individual neuron preactivations with these helices and verify our understanding with causal interventions. By demonstrating that LLMs represent numbers on a helix and manipulate this helix to perform addition, we present the first representation-level explanation of an LLM's mathematical capability.

A common expectation is that career productivity peaks rather early and then gradually declines with seniority. But whether this holds true is still an open question. Here we investigate the productivity trajectories of almost 8,500 scientists from over fifty disciplines using methods from time series analysis, dimensionality reduction, and network science, showing that there exist six universal productivity patterns in research. Based on clusters of productivity trajectories and network representations where researchers with similar productivity patterns are connected, we identify constant, u-shaped, decreasing, periodic-like, increasing, and canonical productivity patterns, with the latter two describing almost three-fourths of researchers. In fact, we find that canonical curves are the most prevalent, but contrary to expectations, productivity peaks occur much more frequently around mid-career rather than early. These results outline the boundaries of possible career paths in science and caution against the adoption of stereotypes in tenure and funding decisions.

Deep neural networks include millions of learnable parameters, making their deployment over resource-constrained devices problematic. SeReNe (Sensitivity-based Regularization of Neurons) is a method for learning sparse topologies with a structure, exploiting neural sensitivity as a regularizer. We define the sensitivity of a neuron as the variation of the network output with respect to the variation of the activity of the neuron. The lower the sensitivity of a neuron, the less the network output is perturbed if the neuron output changes. By including the neuron sensitivity in the cost function as a regularization term, we areable to prune neurons with low sensitivity. As entire neurons are pruned rather then single parameters, practical network footprint reduction becomes possible. Our experimental results on multiple network architectures and datasets yield competitive compression ratios with respect to state-of-the-art references.

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

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.

Video diffusion models exhibit emergent reasoning capabilities like solving mazes and puzzles, yet little is understood about how they reason during generation. We take a first step towards understanding this and study the internal planning dynamics of video models using 2D maze solving as a controlled testbed. Our investigations reveal two findings. Our first finding is early plan commitment: video diffusion models commit to a high-level motion plan within the first few denoising steps, after which further denoising alters visual details but not the underlying trajectory. Our second finding is that path length, not obstacle density, is the dominant predictor of maze difficulty, with a sharp failure threshold at 12 steps. This means video models can only reason over long mazes by chaining together multiple sequential generations. To demonstrate the practical benefits of our findings, we introduce Chaining with Early Planning, or ChEaP, which only spends compute on seeds with promising early plans and chains them together to tackle complex mazes. This improves accuracy from 7% to 67% on long-horizon mazes and by 2.5x overall on hard tasks in Frozen Lake and VR-Bench across Wan2.2-14B and HunyuanVideo-1.5. Our analysis reveals that current video models possess deeper reasoning capabilities than previously recognized, which can be elicited more reliably with better inference-time scaling.

In this paper, we present the findings of our Project ALPINE which stands for ``Autoregressive Learning for Planning In NEtworks." Project ALPINE initiates a theoretical investigation into the development of planning capabilities in Transformer-based language models through their autoregressive learning mechanisms, aiming to identify any potential limitations in their planning abilities. We abstract planning as a network path-finding task where the objective is to generate a valid path from a specified source node to a designated target node. In terms of expressiveness, we show that the Transformer is capable of executing path-finding by embedding the adjacency and reachability matrices within its weights. Our theoretical analysis of the gradient-based learning dynamic of the Transformer reveals that the Transformer is capable of learning both the adjacency matrix and a limited form of the reachability matrix. These theoretical insights are then validated through experiments, which demonstrate that the Transformer indeed learns the adjacency matrix and an incomplete reachability matrix, which aligns with the predictions made in our theoretical analysis. Additionally, when applying our methodology to a real-world planning benchmark, called Blocksworld, our observations remain consistent. Our theoretical and empirical analyses further unveil a potential limitation of Transformer in path-finding: it cannot identify reachability relationships through transitivity, and thus would fail when path concatenation is needed to generate a path. In summary, our findings shed new light on how the internal mechanisms of autoregressive learning enable planning in networks. This study may contribute to our understanding of the general planning capabilities in other related domains.

A major goal of neuroscience is to understand brain computations during visual processing in naturalistic settings. A dominant approach is to use image-computable deep neural networks trained with different task objectives as a basis for linear encoding models. However, in addition to requiring tuning a large number of parameters, the linear encoding approach ignores the structure of the feature maps both in the brain and the models. Recently proposed alternatives have focused on decomposing the linear mapping to spatial and feature components but focus on finding static receptive fields for units that are applicable only in early visual areas. In this work, we employ the attention mechanism used in the transformer architecture to study how retinotopic visual features can be dynamically routed to category-selective areas in high-level visual processing. We show that this computational motif is significantly more powerful than alternative methods in predicting brain activity during natural scene viewing, across different feature basis models and modalities. We also show that this approach is inherently more interpretable, without the need to create importance maps, by interpreting the attention routing signal for different high-level categorical areas. Our approach proposes a mechanistic model of how visual information from retinotopic maps can be routed based on the relevance of the input content to different category-selective regions.

Motivated by neuroscientific and clinical applications, we empirically examine whether observational measures of information flow can suggest interventions. We do so by performing experiments on artificial neural networks in the context of fairness in machine learning, where the goal is to induce fairness in the system through interventions. Using our recently developed M-information flow framework, we measure the flow of information about the true label (responsible for accuracy, and hence desirable), and separately, the flow of information about a protected attribute (responsible for bias, and hence undesirable) on the edges of a trained neural network. We then compare the flow magnitudes against the effect of intervening on those edges by pruning. We show that pruning edges that carry larger information flows about the protected attribute reduces bias at the output to a greater extent. This demonstrates that M-information flow can meaningfully suggest targets for interventions, answering the title's question in the affirmative. We also evaluate bias-accuracy tradeoffs for different intervention strategies, to analyze how one might use estimates of desirable and undesirable information flows (here, accuracy and bias flows) to inform interventions that preserve the former while reducing the latter.

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.

Guidance is a crucial technique for extracting the best performance out of image-generating diffusion models. Traditionally, a constant guidance weight has been applied throughout the sampling chain of an image. We show that guidance is clearly harmful toward the beginning of the chain (high noise levels), largely unnecessary toward the end (low noise levels), and only beneficial in the middle. We thus restrict it to a specific range of noise levels, improving both the inference speed and result quality. This limited guidance interval improves the record FID in ImageNet-512 significantly, from 1.81 to 1.40. We show that it is quantitatively and qualitatively beneficial across different sampler parameters, network architectures, and datasets, including the large-scale setting of Stable Diffusion XL. We thus suggest exposing the guidance interval as a hyperparameter in all diffusion models that use guidance.

Sparsely activated neural networks with conditional computation learn to route their inputs through different "expert" subnetworks, providing a form of modularity that densely activated models lack. Despite their possible benefits, models with learned routing often underperform their parameter-matched densely activated counterparts as well as models that use non-learned heuristic routing strategies. In this paper, we hypothesize that these shortcomings stem from the gradient estimation techniques used to train sparsely activated models that use non-differentiable discrete routing decisions. To address this issue, we introduce Soft Merging of Experts with Adaptive Routing (SMEAR), which avoids discrete routing by using a single "merged" expert constructed via a weighted average of all of the experts' parameters. By routing activations through a single merged expert, SMEAR does not incur a significant increase in computational costs and enables standard gradient-based training. We empirically validate that models using SMEAR outperform models that route based on metadata or learn sparse routing through gradient estimation. Furthermore, we provide qualitative analysis demonstrating that the experts learned via SMEAR exhibit a significant amount of specialization. All of the code used in our experiments is publicly available.

Transformers use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

Learning synaptic weights of spiking neural network (SNN) models that can reproduce target spike trains from provided neural firing data is a central problem in computational neuroscience and spike-based computing. The discovery of the optimal weight values can be posed as a supervised learning task wherein the weights of the model network are chosen to maximize the similarity between the target spike trains and the model outputs. It is still largely unknown whether optimizing spike train similarity of highly recurrent SNNs produces weight matrices similar to those of the ground truth model. To this end, we propose flexible heuristic supervised learning rules, termed Pre-Synaptic Pool Modification (PSPM), that rely on stochastic weight updates in order to produce spikes within a short window of the desired times and eliminate spikes outside of this window. PSPM improves spike train similarity for all-to-all SNNs and makes no assumption about the post-synaptic potential of the neurons or the structure of the network since no gradients are required. We test whether optimizing for spike train similarity entails the discovery of accurate weights and explore the relative contributions of local and homeostatic weight updates. Although PSPM improves similarity between spike trains, the learned weights often differ from the weights of the ground truth model, implying that connectome inference from spike data may require additional constraints on connectivity statistics. We also find that spike train similarity is sensitive to local updates, but other measures of network activity such as avalanche distributions, can be learned through synaptic homeostasis.

Historically, artificial intelligence has drawn much inspiration from neuroscience to fuel advances in the field. However, current progress in reinforcement learning is largely focused on benchmark problems that fail to capture many of the aspects that are of interest in neuroscience today. We illustrate this point by extending a T-maze task from neuroscience for use with reinforcement learning algorithms, and show that state-of-the-art algorithms are not capable of solving this problem. Finally, we point out where insights from neuroscience could help explain some of the issues encountered.

For many segmentation tasks, especially for the biomedical image, the topological prior is vital information which is useful to exploit. The containment/nesting is a typical inter-class geometric relationship. In the MICCAI Brain tumor segmentation challenge, with its three hierarchically nested classes 'whole tumor', 'tumor core', 'active tumor', the nested classes relationship is introduced into the 3D-residual-Unet architecture. The network comprises a context aggregation pathway and a localization pathway, which encodes increasingly abstract representation of the input as going deeper into the network, and then recombines these representations with shallower features to precisely localize the interest domain via a localization path. The nested-class-prior is combined by proposing the multi-class activation function and its corresponding loss function. The model is trained on the training dataset of Brats2018, and 20% of the dataset is regarded as the validation dataset to determine parameters. When the parameters are fixed, we retrain the model on the whole training dataset. The performance achieved on the validation leaderboard is 86%, 77% and 72% Dice scores for the whole tumor, enhancing tumor and tumor core classes without relying on ensembles or complicated post-processing steps. Based on the same start-of-the-art network architecture, the accuracy of nested-class (enhancing tumor) is reasonably improved from 69% to 72% compared with the traditional Softmax-based method which blind to topological prior.

The parcellation of Cranial Nerves (CNs) serves as a crucial quantitative methodology for evaluating the morphological characteristics and anatomical pathways of specific CNs. Multi-modal CNs parcellation networks have achieved promising segmentation performance, which combine structural Magnetic Resonance Imaging (MRI) and diffusion MRI. However, insufficient exploration of diffusion MRI information has led to low performance of existing multi-modal fusion. In this work, we propose a tractography-guided Dual-label Collaborative Learning Network (DCLNet) for multi-modal CNs parcellation. The key contribution of our DCLNet is the introduction of coarse labels of CNs obtained from fiber tractography through CN atlas, and collaborative learning with precise labels annotated by experts. Meanwhile, we introduce a Modality-adaptive Encoder Module (MEM) to achieve soft information swapping between structural MRI and diffusion MRI. Extensive experiments conducted on the publicly available Human Connectome Project (HCP) dataset demonstrate performance improvements compared to single-label network. This systematic validation underscores the effectiveness of dual-label strategies in addressing inherent ambiguities in CNs parcellation tasks.

Node centralities play a pivotal role in network science, social network analysis, and recommender systems. In temporal data, static path-based centralities like closeness or betweenness can give misleading results about the true importance of nodes in a temporal graph. To address this issue, temporal generalizations of betweenness and closeness have been defined that are based on the shortest time-respecting paths between pairs of nodes. However, a major issue of those generalizations is that the calculation of such paths is computationally expensive. Addressing this issue, we study the application of De Bruijn Graph Neural Networks (DBGNN), a causality-aware graph neural network architecture, to predict temporal path-based centralities in time series data. We experimentally evaluate our approach in 13 temporal graphs from biological and social systems and show that it considerably improves the prediction of both betweenness and closeness centrality compared to a static Graph Convolutional Neural Network.

Artificial neural networks (ANN) were inspired by the architecture and functions of the human brain and have revolutionised the field of artificial intelligence (AI). Inspired by studies on the latent geometry of the brain we posit that an increase in the research and application of hyperbolic geometry in machine learning will lead to increased accuracy, improved feature space representations and more efficient models across a range of tasks. We look at the structure and functions of the human brain, highlighting the alignment between the brain's hierarchical nature and hyperbolic geometry. By examining the brain's complex network of neuron connections and its cognitive processes, we illustrate how hyperbolic geometry plays a pivotal role in human intelligence. Empirical evidence indicates that hyperbolic neural networks outperform Euclidean models for tasks including natural language processing, computer vision and complex network analysis, requiring fewer parameters and exhibiting better generalisation. Despite its nascent adoption, hyperbolic geometry holds promise for improving machine learning models and advancing the field toward AGI.

The structure of biological neural circuits-modular, hierarchical, and sparsely interconnected-reflects an efficient trade-off between wiring cost, functional specialization, and robustness. These principles offer valuable insights for artificial neural network (ANN) design, especially as networks grow in depth and scale. Sparsity, in particular, has been widely explored for reducing memory and computation, improving speed, and enhancing generalization. Motivated by systems neuroscience findings, we explore how patterns of functional connectivity in the mouse visual cortex-specifically, ensemble-to-ensemble communication, can inform ANN design. We introduce G2GNet, a novel architecture that imposes sparse, modular connectivity across feedforward layers. Despite having significantly fewer parameters than fully connected models, G2GNet achieves superior accuracy on standard vision benchmarks. To our knowledge, this is the first architecture to incorporate biologically observed functional connectivity patterns as a structural bias in ANN design. We complement this static bias with a dynamic sparse training (DST) mechanism that prunes and regrows edges during training. We also propose a Hebbian-inspired rewiring rule based on activation correlations, drawing on principles of biological plasticity. G2GNet achieves up to 75% sparsity while improving accuracy by up to 4.3% on benchmarks, including Fashion-MNIST, CIFAR-10, and CIFAR-100, outperforming dense baselines with far fewer computations.

A key component of creativity is associative reasoning: the ability to draw novel yet meaningful connections between concepts. We introduce CREATE, a benchmark designed to evaluate models' capacity for creative associative reasoning. CREATE requires models to generate sets of paths connecting concepts in a model's parametric knowledge. Paths should have high specificity (distinctiveness and closeness of the concept connection) and high diversity (dissimilarity from other paths), and models are scored more highly if they produce a larger set of strong, diverse paths. This task shares demands of real creativity tasks like hypothesis generation, including an extremely large search space, but enables collection of a sizable benchmark with objective answer grading. Evaluation of frontier models shows that the strongest models achieve higher creative utility than others, with the high multiplicity of answers and complexity of the search making benchmark saturation difficult to achieve. Furthermore, our results illustrate that thinking models are not always more effective on our task, even with high token budgets. Recent approaches for creative prompting give some but limited additional improvement. CREATE provides a sandbox for developing new methods to improve models' capacity for associative creativity.

We propose the Distance-informed Neural Process (DNP), a novel variant of Neural Processes that improves uncertainty estimation by combining global and distance-aware local latent structures. Standard Neural Processes (NPs) often rely on a global latent variable and struggle with uncertainty calibration and capturing local data dependencies. DNP addresses these limitations by introducing a global latent variable to model task-level variations and a local latent variable to capture input similarity within a distance-preserving latent space. This is achieved through bi-Lipschitz regularization, which bounds distortions in input relationships and encourages the preservation of relative distances in the latent space. This modeling approach allows DNP to produce better-calibrated uncertainty estimates and more effectively distinguish in- from out-of-distribution data. Empirical results demonstrate that DNP achieves strong predictive performance and improved uncertainty calibration across regression and classification tasks.

Artificial intelligence has made great strides in the last decade but still falls short of the human brain, the best-known example of intelligence. Not much is known of the neural processes that allow the brain to make the leap to achieve so much from so little beyond its ability to create knowledge structures that can be flexibly and dynamically combined, recombined, and applied in new and novel ways. This paper proposes a mathematical approach using graph theory and spectral graph theory, to hypothesize how to constrain these neural clusters of information based on eigen-relationships. This same hypothesis is hierarchically applied to scale up from the smallest to the largest clusters of knowledge that eventually lead to model building and reasoning.

This paper presents a survey of methods for pruning deep neural networks. It begins by categorising over 150 studies based on the underlying approach used and then focuses on three categories: methods that use magnitude based pruning, methods that utilise clustering to identify redundancy, and methods that use sensitivity analysis to assess the effect of pruning. Some of the key influencing studies within these categories are presented to highlight the underlying approaches and results achieved. Most studies present results which are distributed in the literature as new architectures, algorithms and data sets have developed with time, making comparison across different studied difficult. The paper therefore provides a resource for the community that can be used to quickly compare the results from many different methods on a variety of data sets, and a range of architectures, including AlexNet, ResNet, DenseNet and VGG. The resource is illustrated by comparing the results published for pruning AlexNet and ResNet50 on ImageNet and ResNet56 and VGG16 on the CIFAR10 data to reveal which pruning methods work well in terms of retaining accuracy whilst achieving good compression rates. The paper concludes by identifying some promising directions for future research.

When studying unconstrained behaviour and allowing mice to leave their cage to navigate a complex labyrinth, the mice exhibit foraging behaviour in the labyrinth searching for rewards, returning to their home cage now and then, e.g. to drink. Surprisingly, when executing such a ``home run'', the mice do not follow the exact reverse path, in fact, the entry path and home path have very little overlap. Recent work proposed a hierarchical active inference model for navigation, where the low level model makes inferences about hidden states and poses that explain sensory inputs, whereas the high level model makes inferences about moving between locations, effectively building a map of the environment. However, using this ``map'' for planning, only allows the agent to find trajectories that it previously explored, far from the observed mice's behaviour. In this paper, we explore ways of incorporating before-unvisited paths in the planning algorithm, by using the low level generative model to imagine potential, yet undiscovered paths. We demonstrate a proof of concept in a grid-world environment, showing how an agent can accurately predict a new, shorter path in the map leading to its starting point, using a generative model learnt from pixel-based observations.

Quantifying the impact of training data points is crucial for understanding the outputs of machine learning models and for improving the transparency of the AI pipeline. The influence function is a principled and popular data attribution method, but its computational cost often makes it challenging to use. This issue becomes more pronounced in the setting of large language models and text-to-image models. In this work, we propose DataInf, an efficient influence approximation method that is practical for large-scale generative AI models. Leveraging an easy-to-compute closed-form expression, DataInf outperforms existing influence computation algorithms in terms of computational and memory efficiency. Our theoretical analysis shows that DataInf is particularly well-suited for parameter-efficient fine-tuning techniques such as LoRA. Through systematic empirical evaluations, we show that DataInf accurately approximates influence scores and is orders of magnitude faster than existing methods. In applications to RoBERTa-large, Llama-2-13B-chat, and stable-diffusion-v1.5 models, DataInf effectively identifies the most influential fine-tuning examples better than other approximate influence scores. Moreover, it can help to identify which data points are mislabeled.

Vital to primary visual processing, retinal circuitry shows many similar structures across a very broad array of species, both vertebrate and non-vertebrate, especially functional components such as lateral inhibition. This surprisingly conservative pattern raises a question of how evolution leads to it, and whether there is any alternative that can also prompt helpful preprocessing. Here we design a method using genetic algorithm that, with many degrees of freedom, leads to architectures whose functions are similar to biological retina, as well as effective alternatives that are different in structures and functions. We compare this model to natural evolution and discuss how our framework can come into goal-driven search and sustainable enhancement of neural network models in machine learning.

A growing literature in computational neuroscience leverages gradient descent and learning algorithms that approximate it to study synaptic plasticity in the brain. However, the vast majority of this work ignores a critical underlying assumption: the choice of distance for synaptic changes - i.e. the geometry of synaptic plasticity. Gradient descent assumes that the distance is Euclidean, but many other distances are possible, and there is no reason that biology necessarily uses Euclidean geometry. Here, using the theoretical tools provided by mirror descent, we show that the distribution of synaptic weights will depend on the geometry of synaptic plasticity. We use these results to show that experimentally-observed log-normal weight distributions found in several brain areas are not consistent with standard gradient descent (i.e. a Euclidean geometry), but rather with non-Euclidean distances. Finally, we show that it should be possible to experimentally test for different synaptic geometries by comparing synaptic weight distributions before and after learning. Overall, our work shows that the current paradigm in theoretical work on synaptic plasticity that assumes Euclidean synaptic geometry may be misguided and that it should be possible to experimentally determine the true geometry of synaptic plasticity in the brain.

We find arithmetic ability resides within a limited number of attention heads, with each head specializing in distinct operations. To delve into the reason, we introduce the Comparative Neuron Analysis (CNA) method, which identifies an internal logic chain consisting of four distinct stages from input to prediction: feature enhancing with shallow FFN neurons, feature transferring by shallow attention layers, feature predicting by arithmetic heads, and prediction enhancing among deep FFN neurons. Moreover, we identify the human-interpretable FFN neurons within both feature-enhancing and feature-predicting stages. These findings lead us to investigate the mechanism of LoRA, revealing that it enhances prediction probabilities by amplifying the coefficient scores of FFN neurons related to predictions. Finally, we apply our method in model pruning for arithmetic tasks and model editing for reducing gender bias. Code is on https://github.com/zepingyu0512/arithmetic-mechanism.

We propose a novel Two-Stage framework for Structured Pruning (2SSP) for pruning Large Language Models (LLMs), which combines two different strategies of pruning, namely Width and Depth Pruning. The first stage (Width Pruning) removes entire neurons, hence their corresponding rows and columns, aiming to preserve the connectivity among the pruned structures in the intermediate state of the Feed-Forward Networks in each Transformer block. This is done based on an importance score measuring the impact of each neuron over the output magnitude. The second stage (Depth Pruning), instead, removes entire Attention submodules. This is done by applying an iterative process that removes the Attention submodules with the minimum impact on a given metric of interest (in our case, perplexity). We also propose a novel mechanism to balance the sparsity rate of the two stages w.r.t. to the desired global sparsity. We test 2SSP on four LLM families and three sparsity rates (25\%, 37.5\%, and 50\%), measuring the resulting perplexity over three language modeling datasets as well as the performance over six downstream tasks. Our method consistently outperforms five state-of-the-art competitors over three language modeling and six downstream tasks, with an up to two-order-of-magnitude gain in terms of pruning time. The code is available at available at https://github.com/FabrizioSandri/2SSP.

The impressive lifelong learning in animal brains is primarily enabled by plastic changes in synaptic connectivity. Importantly, these changes are not passive, but are actively controlled by neuromodulation, which is itself under the control of the brain. The resulting self-modifying abilities of the brain play an important role in learning and adaptation, and are a major basis for biological reinforcement learning. Here we show for the first time that artificial neural networks with such neuromodulated plasticity can be trained with gradient descent. Extending previous work on differentiable Hebbian plasticity, we propose a differentiable formulation for the neuromodulation of plasticity. We show that neuromodulated plasticity improves the performance of neural networks on both reinforcement learning and supervised learning tasks. In one task, neuromodulated plastic LSTMs with millions of parameters outperform standard LSTMs on a benchmark language modeling task (controlling for the number of parameters). We conclude that differentiable neuromodulation of plasticity offers a powerful new framework for training neural networks.

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.

Critical learning periods are periods early in development where temporary sensory deficits can have a permanent effect on behavior and learned representations. Despite the radical differences between biological and artificial networks, critical learning periods have been empirically observed in both systems. This suggests that critical periods may be fundamental to learning and not an accident of biology. Yet, why exactly critical periods emerge in deep networks is still an open question, and in particular it is unclear whether the critical periods observed in both systems depend on particular architectural or optimization details. To isolate the key underlying factors, we focus on deep linear network models, and show that, surprisingly, such networks also display much of the behavior seen in biology and artificial networks, while being amenable to analytical treatment. We show that critical periods depend on the depth of the model and structure of the data distribution. We also show analytically and in simulations that the learning of features is tied to competition between sources. Finally, we extend our analysis to multi-task learning to show that pre-training on certain tasks can damage the transfer performance on new tasks, and show how this depends on the relationship between tasks and the duration of the pre-training stage. To the best of our knowledge, our work provides the first analytically tractable model that sheds light into why critical learning periods emerge in biological and artificial networks.

Genetic pathways usually encode molecular mechanisms that can inform targeted interventions. It is often challenging for existing machine learning approaches to jointly model genetic pathways (higher-order features) and variants (atomic features), and present to clinicians interpretable models. In order to build more accurate and better interpretable machine learning models for genetic medicine, we introduce Pathway Augmented Nonnegative Tensor factorization for HighER-order feature learning (PANTHER). PANTHER selects informative genetic pathways that directly encode molecular mechanisms. We apply genetically motivated constrained tensor factorization to group pathways in a way that reflects molecular mechanism interactions. We then train a softmax classifier for disease types using the identified pathway groups. We evaluated PANTHER against multiple state-of-the-art constrained tensor/matrix factorization models, as well as group guided and Bayesian hierarchical models. PANTHER outperforms all state-of-the-art comparison models significantly (p<0.05). Our experiments on large scale Next Generation Sequencing (NGS) and whole-genome genotyping datasets also demonstrated wide applicability of PANTHER. We performed feature analysis in predicting disease types, which suggested insights and benefits of the identified pathway groups.

Over the past decade, the dominance of deep learning has prevailed across various domains of artificial intelligence, including natural language processing, computer vision, and biomedical signal processing. While there have been remarkable improvements in model accuracy, deploying these models on lightweight devices, such as mobile phones and microcontrollers, is constrained by limited resources. In this survey, we provide comprehensive design guidance tailored for these devices, detailing the meticulous design of lightweight models, compression methods, and hardware acceleration strategies. The principal goal of this work is to explore methods and concepts for getting around hardware constraints without compromising the model's accuracy. Additionally, we explore two notable paths for lightweight deep learning in the future: deployment techniques for TinyML and Large Language Models. Although these paths undoubtedly have potential, they also present significant challenges, encouraging research into unexplored areas.

Neural Network movement controllers promise a variety of advantages over conventional control methods however they are not widely adopted due to their inability to produce reliably precise movements. This research explores a bilateral neural network architecture as a control system for motor tasks. We aimed to achieve hemispheric specialisation similar to what is observed in humans across different tasks; the dominant system (usually the right hand, left hemisphere) excels at tasks involving coordination and efficiency of movement, and the non-dominant system performs better at tasks requiring positional stability. Specialisation was achieved by training the hemispheres with different loss functions tailored toward the expected behaviour of the respective hemispheres. We compared bilateral models with and without specialised hemispheres, with and without inter-hemispheric connectivity (representing the biological Corpus Callosum), and unilateral models with and without specialisation. The models were trained and tested on two tasks common in the human motor control literature: the random reach task, suited to the dominant system, a model with better coordination, and the hold position task, suited to the non-dominant system, a model with more stable movement. Each system out-performed the non-favoured system in its preferred task. For both tasks, a bilateral model outperforms the 'non-preferred' hand, and is as good or better than the 'preferred' hand. The Corpus Callosum tends to improve performance, but not always for the specialised models.

Biological neural networks define the brain function and intelligence of humans and other mammals, and form ultra-large, spatial, structured graphs. Their neuronal organization is closely interconnected with the spatial organization of the brain's microvasculature, which supplies oxygen to the neurons and builds a complementary spatial graph. This vasculature (or the vessel structure) plays an important role in neuroscience; for example, the organization of (and changes to) vessel structure can represent early signs of various pathologies, e.g. Alzheimer's disease or stroke. Recently, advances in tissue clearing have enabled whole brain imaging and segmentation of the entirety of the mouse brain's vasculature. Building on these advances in imaging, we are presenting an extendable dataset of whole-brain vessel graphs based on specific imaging protocols. Specifically, we extract vascular graphs using a refined graph extraction scheme leveraging the volume rendering engine Voreen and provide them in an accessible and adaptable form through the OGB and PyTorch Geometric dataloaders. Moreover, we benchmark numerous state-of-the-art graph learning algorithms on the biologically relevant tasks of vessel prediction and vessel classification using the introduced vessel graph dataset. Our work paves a path towards advancing graph learning research into the field of neuroscience. Complementarily, the presented dataset raises challenging graph learning research questions for the machine learning community, in terms of incorporating biological priors into learning algorithms, or in scaling these algorithms to handle sparse,spatial graphs with millions of nodes and edges. All datasets and code are available for download at https://github.com/jocpae/VesselGraph .

Neurosymbolic (NeSy) predictors combine neural perception with symbolic reasoning to solve tasks like visual reasoning. However, standard NeSy predictors assume conditional independence between the symbols they extract, thus limiting their ability to model interactions and uncertainty - often leading to overconfident predictions and poor out-of-distribution generalisation. To overcome the limitations of the independence assumption, we introduce neurosymbolic diffusion models (NeSyDMs), a new class of NeSy predictors that use discrete diffusion to model dependencies between symbols. Our approach reuses the independence assumption from NeSy predictors at each step of the diffusion process, enabling scalable learning while capturing symbol dependencies and uncertainty quantification. Across both synthetic and real-world benchmarks - including high-dimensional visual path planning and rule-based autonomous driving - NeSyDMs achieve state-of-the-art accuracy among NeSy predictors and demonstrate strong calibration.

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.

The truthfulness of existing explanation methods in authentically elucidating the underlying model's decision-making process has been questioned. Existing methods have deviated from faithfully representing the model, thus susceptible to adversarial attacks. To address this, we propose a novel eXplainable AI (XAI) method called SRD (Sharing Ratio Decomposition), which sincerely reflects the model's inference process, resulting in significantly enhanced robustness in our explanations. Different from the conventional emphasis on the neuronal level, we adopt a vector perspective to consider the intricate nonlinear interactions between filters. We also introduce an interesting observation termed Activation-Pattern-Only Prediction (APOP), letting us emphasize the importance of inactive neurons and redefine relevance encapsulating all relevant information including both active and inactive neurons. Our method, SRD, allows for the recursive decomposition of a Pointwise Feature Vector (PFV), providing a high-resolution Effective Receptive Field (ERF) at any layer.

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

The deep neural nets of modern artificial intelligence (AI) have not achieved defining features of biological intelligence, including abstraction, causal learning, and energy-efficiency. While scaling to larger models has delivered performance improvements for current applications, more brain-like capacities may demand new theories, models, and methods for designing artificial learning systems. Here, we argue that this opportunity to reassess insights from the brain should stimulate cooperation between AI research and theory-driven computational neuroscience (CN). To motivate a brain basis of neural computation, we present a dynamical view of intelligence from which we elaborate concepts of sparsity in network structure, temporal dynamics, and interactive learning. In particular, we suggest that temporal dynamics, as expressed through neural synchrony, nested oscillations, and flexible sequences, provide a rich computational layer for reading and updating hierarchical models distributed in long-term memory networks. Moreover, embracing agent-centered paradigms in AI and CN will accelerate our understanding of the complex dynamics and behaviors that build useful world models. A convergence of AI/CN theories and objectives will reveal dynamical principles of intelligence for brains and engineered learning systems. This article was inspired by our symposium on dynamical neuroscience and machine learning at the 6th Annual US/NIH BRAIN Initiative Investigators Meeting.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

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.

Vision Transformers (ViTs) are normally regarded as a stack of transformer layers. In this work, we propose a novel view of ViTs showing that they can be seen as ensemble networks containing multiple parallel paths with different lengths. Specifically, we equivalently transform the traditional cascade of multi-head self-attention (MSA) and feed-forward network (FFN) into three parallel paths in each transformer layer. Then, we utilize the identity connection in our new transformer form and further transform the ViT into an explicit multi-path ensemble network. From the new perspective, these paths perform two functions: the first is to provide the feature for the classifier directly, and the second is to provide the lower-level feature representation for subsequent longer paths. We investigate the influence of each path for the final prediction and discover that some paths even pull down the performance. Therefore, we propose the path pruning and EnsembleScale skills for improvement, which cut out the underperforming paths and re-weight the ensemble components, respectively, to optimize the path combination and make the short paths focus on providing high-quality representation for subsequent paths. We also demonstrate that our path combination strategies can help ViTs go deeper and act as high-pass filters to filter out partial low-frequency signals. To further enhance the representation of paths served for subsequent paths, self-distillation is applied to transfer knowledge from the long paths to the short paths. This work calls for more future research to explain and design ViTs from new perspectives.

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.

Neurological diseases are the leading global cause of disability, yet most lack disease-modifying treatments. We present PROTON, a heterogeneous graph transformer that generates testable hypotheses across molecular, organoid, and clinical systems. To evaluate PROTON, we apply it to Parkinson's disease (PD), bipolar disorder (BD), and Alzheimer's disease (AD). In PD, PROTON linked genetic risk loci to genes essential for dopaminergic neuron survival and predicted pesticides toxic to patient-derived neurons, including the insecticide endosulfan, which ranked within the top 1.29% of predictions. In silico screens performed by PROTON reproduced six genome-wide α-synuclein experiments, including a split-ubiquitin yeast two-hybrid system (normalized enrichment score [NES] = 2.30, FDR-adjusted p < 1 times 10^{-4}), an ascorbate peroxidase proximity labeling assay (NES = 2.16, FDR < 1 times 10^{-4}), and a high-depth targeted exome sequencing study in 496 synucleinopathy patients (NES = 2.13, FDR < 1 times 10^{-4}). In BD, PROTON predicted calcitriol as a candidate drug that reversed proteomic alterations observed in cortical organoids derived from BD patients. In AD, we evaluated PROTON predictions in health records from n = 610,524 patients at Mass General Brigham, confirming that five PROTON-predicted drugs were associated with reduced seven-year dementia risk (minimum hazard ratio = 0.63, 95% CI: 0.53-0.75, p < 1 times 10^{-7}). PROTON generated neurological hypotheses that were evaluated across molecular, organoid, and clinical systems, defining a path for AI-driven discovery in neurological disease.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

We introduce and train distributed neural architectures (DNA) in vision and language domains. DNAs are initialized with a proto-architecture that consists of (transformer, MLP, attention, etc.) modules and routers. Any token (or patch) can traverse any series of modules in any order. DNAs are a natural generalization of the sparse methods such as Mixture-of-Experts, Mixture-of-Depths, parameter sharing, etc. Computation and communication patterns of DNA modules are learnt end-to-end during training and depend on the content and context of each token (or patch). These patterns can be shaped by further requirements added to the optimization objective such as compute/memory efficiency or load balancing. We empirically show that (i) trained DNAs are competitive with the dense baselines in both domains and (ii) compute efficiency/parameter sharing can be learnt from data. Next, we analyze the emergent connectivity and computation patterns in the trained DNAs. We find that the paths that tokens take through the models are themselves distributed according to a power-law. We show that some paths (or, equivalently, groups of modules) show emergent specialization. Finally, we demonstrate that models learn to allocate compute and active parameters in an interpretable way.

Graphs have often been used to answer questions about the interaction between real-world entities by taking advantage of their capacity to represent complex topologies. Complex networks are known to be graphs that capture such non-trivial topologies; they are able to represent human phenomena such as epidemic processes, the dynamics of populations, and the urbanization of cities. The investigation of complex networks has been extrapolated to many fields of science, with particular emphasis on computing techniques, including artificial intelligence. In such a case, the analysis of the interaction between entities of interest is transposed to the internal learning of algorithms, a paradigm whose investigation is able to expand the state of the art in Computer Science. By exploring this paradigm, this thesis puts together complex networks and machine learning techniques to improve the understanding of the human phenomena observed in pandemics, pendular migration, and street networks. Accordingly, we contribute with: (i) a new neural network architecture capable of modeling dynamic processes observed in spatial and temporal data with applications in epidemics propagation, weather forecasting, and patient monitoring in intensive care units; (ii) a machine-learning methodology for analyzing and predicting links in the scope of human mobility between all the cities of Brazil; and, (iii) techniques for identifying inconsistencies in the urban planning of cities while tracking the most influential vertices, with applications over Brazilian and worldwide cities. We obtained results sustained by sound evidence of advances to the state of the art in artificial intelligence, rigorous formalisms, and ample experimentation. Our findings rely upon real-world applications in a range of domains, demonstrating the applicability of our methodologies.

This paper studies the problem of training a two-layer ReLU network for binary classification using gradient flow with small initialization. We consider a training dataset with well-separated input vectors: Any pair of input data with the same label are positively correlated, and any pair with different labels are negatively correlated. Our analysis shows that, during the early phase of training, neurons in the first layer try to align with either the positive data or the negative data, depending on its corresponding weight on the second layer. A careful analysis of the neurons' directional dynamics allows us to provide an O(log n{mu}) upper bound on the time it takes for all neurons to achieve good alignment with the input data, where n is the number of data points and mu measures how well the data are separated. After the early alignment phase, the loss converges to zero at a O(1{t}) rate, and the weight matrix on the first layer is approximately low-rank. Numerical experiments on the MNIST dataset illustrate our theoretical findings.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

Generative models such as Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) trained on massive datasets can lead them to memorize and inadvertently reveal sensitive information, raising ethical and privacy concerns. While some prior works have explored this issue in the context of LLMs, it presents a unique challenge for MLLMs due to the entangled nature of knowledge across modalities, making comprehensive unlearning more difficult. To address this challenge, we propose Modality Aware Neuron Unlearning (MANU), a novel unlearning framework for MLLMs designed to selectively clip neurons based on their relative importance to the targeted forget data, curated for different modalities. Specifically, MANU consists of two stages: important neuron selection and selective pruning. The first stage identifies and collects the most influential neurons across modalities relative to the targeted forget knowledge, while the second stage is dedicated to pruning those selected neurons. MANU effectively isolates and removes the neurons that contribute most to the forget data within each modality, while preserving the integrity of retained knowledge. Our experiments conducted across various MLLM architectures illustrate that MANU can achieve a more balanced and comprehensive unlearning in each modality without largely affecting the overall model utility.

Fiber tractography is a cornerstone of neuroimaging, enabling the detailed mapping of the brain's white matter pathways through diffusion MRI. This is crucial for understanding brain connectivity and function, making it a valuable tool in neurological applications. Despite its importance, tractography faces challenges due to its complexity and susceptibility to false positives, misrepresenting vital pathways. To address these issues, recent strategies have shifted towards deep learning, utilizing supervised learning, which depends on precise ground truth, or reinforcement learning, which operates without it. In this work, we propose Tract-RLFormer, a network utilizing both supervised and reinforcement learning, in a two-stage policy refinement process that markedly improves the accuracy and generalizability across various data-sets. By employing a tract-specific approach, our network directly delineates the tracts of interest, bypassing the traditional segmentation process. Through rigorous validation on datasets such as TractoInferno, HCP, and ISMRM-2015, our methodology demonstrates a leap forward in tractography, showcasing its ability to accurately map the brain's white matter tracts.

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and machine translation tasks, we investigate how much we can simplify the network function towards linearity before performance collapses. First, we observe a significant performance gap when reducing nonlinearity in the network function early on as opposed to late in training, in-line with recent observations on the time-evolution of the data-dependent NTK. Second, we find that after training, we are able to linearize a significant number of nonlinear units while maintaining a high performance, indicating that much of a network's expressivity remains unused but helps gradient descent in early stages of training. To characterize the depth of the resulting partially linearized network, we introduce a measure called average path length, representing the average number of active nonlinearities encountered along a path in the network graph. Under sparsity pressure, we find that the remaining nonlinear units organize into distinct structures, forming core-networks of near constant effective depth and width, which in turn depend on task difficulty.

Large Language Models have demonstrated impressive fluency across diverse tasks, yet their tendency to produce toxic content remains a critical challenge for AI safety and public trust. Existing toxicity mitigation approaches primarily manipulate individual neuron activations, but these methods suffer from instability, context dependence, and often compromise the model's core language abilities. To address these shortcomings, we investigate three key questions: the stability of neuron-level toxicity indicators, the advantages of structural (layer-wise) representations, and the interpretability of mechanisms driving toxic generation. Through extensive experiments on Jigsaw and ToxiCN datasets, we show that aggregated layer-wise features provide more robust signals than single neurons. Moreover, we observe conceptual limitations in prior works that conflate toxicity detection experts and generation experts within neuron-based interventions. To mitigate this, we propose a novel principled intervention technique, EigenShift, based on eigen-decomposition of the language model's final output layer. This method selectively targets generation-aligned components, enabling precise toxicity suppression without impairing linguistic competence. Our method requires no additional training or fine-tuning, incurs minimal computational cost, and is grounded in rigorous theoretical analysis.

Advancements in LLMs have recently unveiled challenges tied to computational efficiency and continual scalability due to their requirements of huge parameters, making the applications and evolution of these models on devices with limited computation resources and scenarios requiring various abilities increasingly cumbersome. Inspired by modularity within the human brain, there is a growing tendency to decompose LLMs into numerous functional modules, allowing for inference with part of modules and dynamic assembly of modules to tackle complex tasks, such as mixture-of-experts. To highlight the inherent efficiency and composability of the modular approach, we coin the term brick to represent each functional module, designating the modularized structure as configurable foundation models. In this paper, we offer a comprehensive overview and investigation of the construction, utilization, and limitation of configurable foundation models. We first formalize modules into emergent bricks - functional neuron partitions that emerge during the pre-training phase, and customized bricks - bricks constructed via additional post-training to improve the capabilities and knowledge of LLMs. Based on diverse functional bricks, we further present four brick-oriented operations: retrieval and routing, merging, updating, and growing. These operations allow for dynamic configuration of LLMs based on instructions to handle complex tasks. To verify our perspective, we conduct an empirical analysis on widely-used LLMs. We find that the FFN layers follow modular patterns with functional specialization of neurons and functional neuron partitions. Finally, we highlight several open issues and directions for future research. Overall, this paper aims to offer a fresh modular perspective on existing LLM research and inspire the future creation of more efficient and scalable foundational models.

Many papers have shown that attention heads work in conjunction with each other to perform complex tasks. It's frequently assumed that communication between attention heads is via the addition of specific features to token residuals. In this work we seek to isolate and identify the features used to effect communication and coordination among attention heads in GPT-2 small. Our key leverage on the problem is to show that these features are very often sparsely coded in the singular vectors of attention head matrices. We characterize the dimensionality and occurrence of these signals across the attention heads in GPT-2 small when used for the Indirect Object Identification (IOI) task. The sparse encoding of signals, as provided by attention head singular vectors, allows for efficient separation of signals from the residual background and straightforward identification of communication paths between attention heads. We explore the effectiveness of this approach by tracing portions of the circuits used in the IOI task. Our traces reveal considerable detail not present in previous studies, shedding light on the nature of redundant paths present in GPT-2. And our traces go beyond previous work by identifying features used to communicate between attention heads when performing IOI.

Large language models (LLMs) can express different values in two distinct ways: (1) intrinsic expression, reflecting the model's inherent values learned during training, and (2) prompted expression, elicited by explicit prompts. Given their widespread use in value alignment and persona steering, it is paramount to clearly understand their underlying mechanisms, particularly whether they mostly overlap (as one might expect) or rely on substantially different mechanisms, but this remains largely understudied. We analyze this at the mechanistic level using two approaches: (1) value vectors, feature directions representing value mechanisms extracted from the residual stream, and (2) value neurons, MLP neurons that contribute to value expressions. We demonstrate that intrinsic and prompted value mechanisms partly share common components that are crucial for inducing value expression, but also possess unique elements that manifest in different ways. As a result, these mechanisms lead to different degrees of value steerability (prompted > intrinsic) and response diversity (intrinsic > prompted). In particular, components unique to the intrinsic mechanism seem to promote lexical diversity in responses, whereas those specific to the prompted mechanism primarily strengthen instruction following, taking effect even in distant tasks like jailbreaking.

Instance segmentation of neurons in volumetric light microscopy images of nervous systems enables groundbreaking research in neuroscience by facilitating joint functional and morphological analyses of neural circuits at cellular resolution. Yet said multi-neuron light microscopy data exhibits extremely challenging properties for the task of instance segmentation: Individual neurons have long-ranging, thin filamentous and widely branching morphologies, multiple neurons are tightly inter-weaved, and partial volume effects, uneven illumination and noise inherent to light microscopy severely impede local disentangling as well as long-range tracing of individual neurons. These properties reflect a current key challenge in machine learning research, namely to effectively capture long-range dependencies in the data. While respective methodological research is buzzing, to date methods are typically benchmarked on synthetic datasets. To address this gap, we release the FlyLight Instance Segmentation Benchmark (FISBe) dataset, the first publicly available multi-neuron light microscopy dataset with pixel-wise annotations. In addition, we define a set of instance segmentation metrics for benchmarking that we designed to be meaningful with regard to downstream analyses. Lastly, we provide three baselines to kick off a competition that we envision to both advance the field of machine learning regarding methodology for capturing long-range data dependencies, and facilitate scientific discovery in basic neuroscience.

There is a widening recognition that cancer cells are products of complex developmental processes. Carcinogenesis and metastasis formation are increasingly described as systems-level, network phenomena. Here we propose that malignant transformation is a two-phase process, where an initial increase of system plasticity is followed by a decrease of plasticity at late stages of carcinogenesis as a model of cellular learning. We describe the hallmarks of increased system plasticity of early, tumor initiating cells, such as increased noise, entropy, conformational and phenotypic plasticity, physical deformability, cell heterogeneity and network rearrangements. Finally, we argue that the large structural changes of molecular networks during cancer development necessitate a rather different targeting strategy in early and late phase of carcinogenesis. Plastic networks of early phase cancer development need a central hit, while rigid networks of late stage primary tumors or established metastases should be attacked by the network influence strategy, such as by edgetic, multi-target, or allo-network drugs. Cancer stem cells need special diagnosis and targeting, since their dormant and rapidly proliferating forms may have more rigid, or more plastic networks, respectively. The extremely high ability to change their rigidity/plasticity may be a key differentiating hallmark of cancer stem cells. The application of early stage-optimized anti-cancer drugs to late-stage patients may be a reason of many failures in anti-cancer therapies. Our hypotheses presented here underlie the need for patient-specific multi-target therapies applying the correct ratio of central hits and network influences -- in an optimized sequence.

We propose a novel algorithm called Backpropagation Neural Tree (BNeuralT), which is a stochastic computational dendritic tree. BNeuralT takes random repeated inputs through its leaves and imposes dendritic nonlinearities through its internal connections like a biological dendritic tree would do. Considering the dendritic-tree like plausible biological properties, BNeuralT is a single neuron neural tree model with its internal sub-trees resembling dendritic nonlinearities. BNeuralT algorithm produces an ad hoc neural tree which is trained using a stochastic gradient descent optimizer like gradient descent (GD), momentum GD, Nesterov accelerated GD, Adagrad, RMSprop, or Adam. BNeuralT training has two phases, each computed in a depth-first search manner: the forward pass computes neural tree's output in a post-order traversal, while the error backpropagation during the backward pass is performed recursively in a pre-order traversal. A BNeuralT model can be considered a minimal subset of a neural network (NN), meaning it is a "thinned" NN whose complexity is lower than an ordinary NN. Our algorithm produces high-performing and parsimonious models balancing the complexity with descriptive ability on a wide variety of machine learning problems: classification, regression, and pattern recognition.

Convolutional neural networks (CNN) are built upon the classical McCulloch-Pitts neuron model, which is essentially a linear model, where the nonlinearity is provided by a separate activation function. Several researchers have proposed enhanced neuron models, including quadratic neurons, generalized operational neurons, generative neurons, and super neurons, with stronger nonlinearity than that provided by the pointwise activation function. There has also been a proposal to use Pade approximation as a generalized activation function. In this paper, we introduce a brand new neuron model called Pade neurons (Paons), inspired by the Pade approximants, which is the best mathematical approximation of a transcendental function as a ratio of polynomials with different orders. We show that Paons are a super set of all other proposed neuron models. Hence, the basic neuron in any known CNN model can be replaced by Paons. In this paper, we extend the well-known ResNet to PadeNet (built by Paons) to demonstrate the concept. Our experiments on the single-image super-resolution task show that PadeNets can obtain better results than competing architectures.

We show that in a drive-response coupling framework extreme events are suppressed in the response system by the dominance of a single driving signal. We validate this approach across three distinct response network topologies, namely (i) a pair of coupled neurons, (ii) a monolayer network of N coupled neurons and (iii) a two-layer multiplex network each composed of FitzHugh-Nagumo neuronal units. The response networks inherently exhibit extreme events. Our results demonstrate that influencing just one neuron in the response network with an appropriately tuned driving signal is sufficient to control extreme events across all three configurations. In the two-neuron case, suppression of extreme events occurs due to the breaking of phase-locking between the driving neuron and the targeted response neuron. In the case of monolayer and multiplex networks, suppression of extreme events results from the disruption of protoevent frequency dynamics and a subsequent frequency decoupling of the driven neuron from the rest of the network. We also observe that when the size of the neurons in response network connected to the drive increases, the onset of control occurs earlier indicating a scaling advantage of the method.

Automatic identification of brain lesions from magnetic resonance imaging (MRI) scans of stroke survivors would be a useful aid in patient diagnosis and treatment planning. We propose a multi-modal multi-path convolutional neural network system for automating stroke lesion segmentation. Our system has nine end-to-end UNets that take as input 2-dimensional (2D) slices and examines all three planes with three different normalizations. Outputs from these nine total paths are concatenated into a 3D volume that is then passed to a 3D convolutional neural network to output a final lesion mask. We trained and tested our method on datasets from three sources: Medical College of Wisconsin (MCW), Kessler Foundation (KF), and the publicly available Anatomical Tracings of Lesions After Stroke (ATLAS) dataset. Cross-study validation results (with independent training and validation datasets) were obtained to compare with previous methods based on naive Bayes, random forests, and three recently published convolutional neural networks. Model performance was quantified in terms of the Dice coefficient. Training on the KF and MCW images and testing on the ATLAS images yielded a mean Dice coefficient of 0.54. This was reliably better than the next best previous model, UNet, at 0.47. Reversing the train and test datasets yields a mean Dice of 0.47 on KF and MCW images, whereas the next best UNet reaches 0.45. With all three datasets combined, the current system compared to previous methods also attained a reliably higher cross-validation accuracy. It also achieved high Dice values for many smaller lesions that existing methods have difficulty identifying. Overall, our system is a clear improvement over previous methods for automating stroke lesion segmentation, bringing us an important step closer to the inter-rater accuracy level of human experts.

Prior studies on the emergence in large models have primarily focused on how the functional capabilities of large language models (LLMs) scale with model size. Our research, however, transcends this traditional paradigm, aiming to deepen our understanding of the emergence within LLMs by placing a special emphasis not just on the model size but more significantly on the complex behavior of neuron interactions during the training process. By introducing the concepts of "self-organization" and "multifractal analysis," we explore how neuron interactions dynamically evolve during training, leading to "emergence," mirroring the phenomenon in natural systems where simple micro-level interactions give rise to complex macro-level behaviors. To quantitatively analyze the continuously evolving interactions among neurons in large models during training, we propose the Neuron-based Multifractal Analysis (NeuroMFA). Utilizing NeuroMFA, we conduct a comprehensive examination of the emergent behavior in LLMs through the lens of both model size and training process, paving new avenues for research into the emergence in large models.

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.

Vision-language models (VLMs) achieve strong multimodal performance, yet how computation is organized across populations of neurons remains poorly understood. In this work, we study VLMs through the lens of neural topology, representing each layer as a within-layer correlation graph derived from neuron-neuron co-activations. This view allows us to ask whether population-level structure is behaviorally meaningful, how it changes across modalities and depth, and whether it identifies causally influential internal components under intervention. We show that correlation topology carries recoverable behavioral signal; moreover, cross-modal structure progressively consolidates with depth around a compact set of recurrent hub neurons, whose targeted perturbation substantially alters model output. Neural topology thus emerges as a meaningful intermediate scale for VLM interpretability: richer than local attribution, more tractable than full circuit recovery, and empirically tied to multimodal behavior. Code is publicly available at https://github.com/he-h/vlm-graph-probing.

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.

Treatment effect estimation is of high-importance for both researchers and practitioners across many scientific and industrial domains. The abundance of observational data makes them increasingly used by researchers for the estimation of causal effects. However, these data suffer from biases, from several weaknesses, leading to inaccurate causal effect estimations, if not handled properly. Therefore, several machine learning techniques have been proposed, most of them focusing on leveraging the predictive power of neural network models to attain more precise estimation of causal effects. In this work, we propose a new methodology, named Nearest Neighboring Information for Causal Inference (NNCI), for integrating valuable nearest neighboring information on neural network-based models for estimating treatment effects. The proposed NNCI methodology is applied to some of the most well established neural network-based models for treatment effect estimation with the use of observational data. Numerical experiments and analysis provide empirical and statistical evidence that the integration of NNCI with state-of-the-art neural network models leads to considerably improved treatment effect estimations on a variety of well-known challenging benchmarks.

The relationship between computing systems and the brain has served as motivation for pioneering theoreticians since John von Neumann and Alan Turing. Uniform, scale-free biological networks, such as the brain, have powerful properties, including generalizing over time, which is the main barrier for Machine Learning on the path to Universal Reasoning Models. We introduce `Dragon Hatchling' (BDH), a new Large Language Model architecture based on a scale-free biologically inspired network of \n locally-interacting neuron particles. BDH couples strong theoretical foundations and inherent interpretability without sacrificing Transformer-like performance. BDH is a practical, performant state-of-the-art attention-based state space sequence learning architecture. In addition to being a graph model, BDH admits a GPU-friendly formulation. It exhibits Transformer-like scaling laws: empirically BDH rivals GPT2 performance on language and translation tasks, at the same number of parameters (10M to 1B), for the same training data. BDH can be represented as a brain model. The working memory of BDH during inference entirely relies on synaptic plasticity with Hebbian learning using spiking neurons. We confirm empirically that specific, individual synapses strengthen connection whenever BDH hears or reasons about a specific concept while processing language inputs. The neuron interaction network of BDH is a graph of high modularity with heavy-tailed degree distribution. The BDH model is biologically plausible, explaining one possible mechanism which human neurons could use to achieve speech. BDH is designed for interpretability. Activation vectors of BDH are sparse and positive. We demonstrate monosemanticity in BDH on language tasks. Interpretability of state, which goes beyond interpretability of neurons and model parameters, is an inherent feature of the BDH architecture.

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

Automated interpretability research has recently attracted attention as a potential research direction that could scale explanations of neural network behavior to large models. Existing automated circuit discovery work applies activation patching to identify subnetworks responsible for solving specific tasks (circuits). In this work, we show that a simple method based on attribution patching outperforms all existing methods while requiring just two forward passes and a backward pass. We apply a linear approximation to activation patching to estimate the importance of each edge in the computational subgraph. Using this approximation, we prune the least important edges of the network. We survey the performance and limitations of this method, finding that averaged over all tasks our method has greater AUC from circuit recovery than other methods.

In this work we identify the dormant neuron phenomenon in deep reinforcement learning, where an agent's network suffers from an increasing number of inactive neurons, thereby affecting network expressivity. We demonstrate the presence of this phenomenon across a variety of algorithms and environments, and highlight its effect on learning. To address this issue, we propose a simple and effective method (ReDo) that Recycles Dormant neurons throughout training. Our experiments demonstrate that ReDo maintains the expressive power of networks by reducing the number of dormant neurons and results in improved performance.

We have only limited understanding of how and why large language models (LLMs) respond in the ways that they do. Their neural networks have proven challenging to interpret, and we are only beginning to tease out the function of individual neurons and circuits within them. However, another path to understanding these systems is to investigate and develop their capacity to introspect and explain their own functioning. Here, we show that i) contemporary LLMs are capable of providing accurate, quantitative descriptions of their own internal processes during certain kinds of decision-making, ii) that it is possible to improve these capabilities through training, and iii) that this training generalizes to at least some degree. To do so, we fine-tuned GPT-4o and GPT-4o-mini to make decisions in a wide variety of complex contexts (e.g., choosing between condos, loans, vacations, etc.) according to randomly-generated, quantitative preferences about how to weigh different attributes during decision-making (e.g., the relative importance of natural light versus quiet surroundings for condos). We demonstrate that the LLMs can accurately report these preferences (i.e., the weights that they learned to give to different attributes during decision-making). Next, we demonstrate that these LLMs can be fine-tuned to explain their decision-making even more accurately. Finally, we demonstrate that this training generalizes: It improves the ability of the models to accurately explain what they are doing as they make other complex decisions, not just decisions they have learned to make via fine-tuning. This work is a step towards training LLMs to accurately and broadly report on their own internal processes -- a possibility that would yield substantial benefits for interpretability, control, and safety.

It has long been known in both neuroscience and AI that ``binding'' between neurons leads to a form of competitive learning where representations are compressed in order to represent more abstract concepts in deeper layers of the network. More recently, it was also hypothesized that dynamic (spatiotemporal) representations play an important role in both neuroscience and AI. Building on these ideas, we introduce Artificial Kuramoto Oscillatory Neurons (AKOrN) as a dynamical alternative to threshold units, which can be combined with arbitrary connectivity designs such as fully connected, convolutional, or attentive mechanisms. Our generalized Kuramoto updates bind neurons together through their synchronization dynamics. We show that this idea provides performance improvements across a wide spectrum of tasks such as unsupervised object discovery, adversarial robustness, calibrated uncertainty quantification, and reasoning. We believe that these empirical results show the importance of rethinking our assumptions at the most basic neuronal level of neural representation, and in particular show the importance of dynamical representations.

LLMs are multilingual by training, yet their lingua franca is often English, reflecting English language dominance in pretraining. Other languages remain in parametric memory but are systematically suppressed. We argue that language defaultness is governed by a sparse, low-rank control circuit, language neurons, that can be mechanistically isolated and safely steered. We introduce Neural FOXP2, that makes a chosen language (Hindi or Spanish) primary in a model by steering language-specific neurons. Neural FOXP2 proceeds in three stages: (i) Localize: We train per-layer SAEs so each activation decomposes into a small set of active feature components. For every feature, we quantify English vs. Hindi/Spanish selectivity overall logit-mass lift toward the target-language token set. Tracing the top-ranked features back to their strongest contributing units yields a compact language-neuron set. (ii) Steering directions: We localize controllable language-shift geometry via a spectral low-rank analysis. For each layer, we build English to target activation-difference matrices and perform layerwise SVD to extract the dominant singular directions governing language change. The eigengap and effective-rank spectra identify a compact steering subspace and an empirically chosen intervention window (where these directions are strongest and most stable). (iii) Steer: We apply a signed, sparse activation shift targeted to the language neurons. Concretely, within low to mid layers we add a positive steering along the target-language dominant directions and a compensating negative shift toward the null space for the English neurons, yielding controllable target-language defaultness.

Biological nervous systems are created in a fundamentally different way than current artificial neural networks. Despite its impressive results in a variety of different domains, deep learning often requires considerable engineering effort to design high-performing neural architectures. By contrast, biological nervous systems are grown through a dynamic self-organizing process. In this paper, we take initial steps toward neural networks that grow through a developmental process that mirrors key properties of embryonic development in biological organisms. The growth process is guided by another neural network, which we call a Neural Developmental Program (NDP) and which operates through local communication alone. We investigate the role of neural growth on different machine learning benchmarks and different optimization methods (evolutionary training, online RL, offline RL, and supervised learning). Additionally, we highlight future research directions and opportunities enabled by having self-organization driving the growth of neural networks.

Rigorousness and clarity are both essential for interpretations of DNNs to engender human trust. Path methods are commonly employed to generate rigorous attributions that satisfy three axioms. However, the meaning of attributions remains ambiguous due to distinct path choices. To address the ambiguity, we introduce Concentration Principle, which centrally allocates high attributions to indispensable features, thereby endowing aesthetic and sparsity. We then present SAMP, a model-agnostic interpreter, which efficiently searches the near-optimal path from a pre-defined set of manipulation paths. Moreover, we propose the infinitesimal constraint (IC) and momentum strategy (MS) to improve the rigorousness and optimality. Visualizations show that SAMP can precisely reveal DNNs by pinpointing salient image pixels. We also perform quantitative experiments and observe that our method significantly outperforms the counterparts. Code: https://github.com/zbr17/SAMP.

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.

Vertex centrality measures are a multi-purpose analysis tool, commonly used in many application environments to retrieve information and unveil knowledge from the graphs and network structural properties. However, the algorithms of such metrics are expensive in terms of computational resources when running real-time applications or massive real world networks. Thus, approximation techniques have been developed and used to compute the measures in such scenarios. In this paper, we demonstrate and analyze the use of neural network learning algorithms to tackle such task and compare their performance in terms of solution quality and computation time with other techniques from the literature. Our work offers several contributions. We highlight both the pros and cons of approximating centralities though neural learning. By empirical means and statistics, we then show that the regression model generated with a feedforward neural networks trained by the Levenberg-Marquardt algorithm is not only the best option considering computational resources, but also achieves the best solution quality for relevant applications and large-scale networks. Keywords: Vertex Centrality Measures, Neural Networks, Complex Network Models, Machine Learning, Regression Model

Autonomous Driving (AD), the area of robotics with the greatest potential impact on society, has gained a lot of momentum in the last decade. As a result of this, the number of datasets in AD has increased rapidly. Creators and users of datasets can benefit from a better understanding of developments in the field. While scientometric analysis has been conducted in other fields, it rarely revolves around datasets. Thus, the impact, attention, and influence of datasets on autonomous driving remains a rarely investigated field. In this work, we provide a scientometric analysis for over 200 datasets in AD. We perform a rigorous evaluation of relations between available metadata and citation counts based on linear regression. Subsequently, we propose an Influence Score to assess a dataset already early on without the need for a track-record of citations, which is only available with a certain delay.

Large language models have achieved near-expert performance in structured reasoning domains like mathematics and programming, yet their ability to perform compositional multi-hop reasoning in specialized scientific fields remains limited. We propose a bottom-up learning paradigm in which models are grounded in axiomatic domain facts and compose them to solve complex, unseen tasks. To this end, we present a post-training pipeline, based on a combination of supervised fine-tuning and reinforcement learning (RL), in which knowledge graphs act as implicit reward models. By deriving novel reward signals from knowledge graph paths, we provide verifiable, scalable, and grounded supervision that encourages models to compose intermediate axioms rather than optimize only final answers during RL. We validate this approach in the medical domain, training a 14B model on short-hop reasoning paths (1-3 hops) and evaluating its zero-shot generalization to complex multi-hop queries (4-5 hops). Our experiments show that path-derived rewards act as a "compositional bridge", enabling our model to significantly outperform much larger models and frontier systems like GPT-5.2 and Gemini 3 Pro, on the most difficult reasoning tasks. Furthermore, we demonstrate the robustness of our approach to adversarial perturbations against option-shuffling stress tests. This work suggests that grounding the reasoning process in structured knowledge is a scalable and efficient path toward intelligent reasoning.

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.

We tackle the challenge of large-scale network intervention for guiding excitatory point processes, such as infectious disease spread or traffic congestion control. Our model-based reinforcement learning utilizes neural ODEs to capture how the networked excitatory point processes will evolve subject to the time-varying changes in network topology. Our approach incorporates Gradient-Descent based Model Predictive Control (GD-MPC), offering policy flexibility to accommodate prior knowledge and constraints. To address the intricacies of planning and overcome the high dimensionality inherent to such decision-making problems, we design an Amortize Network Interventions (ANI) framework, allowing for the pooling of optimal policies from history and other contexts, while ensuring a permutation equivalent property. This property enables efficient knowledge transfer and sharing across diverse contexts. Our approach has broad applications, from curbing infectious disease spread to reducing carbon emissions through traffic light optimization, and thus has the potential to address critical societal and environmental challenges.

Large Language Models (LLMs) are composed of neurons that exhibit various behaviors and roles, which become increasingly diversified as models scale. Recent studies have revealed that not all neurons are active across different datasets, and this sparsity correlates positively with the task-specific ability, leading to advancements in model pruning and training efficiency. Traditional fine-tuning methods engage all parameters of LLMs, which is computationally expensive and may not be necessary. In contrast, Parameter-Efficient Fine-Tuning (PEFT) approaches aim to minimize the number of trainable parameters, yet they still operate at a relatively macro scale (e.g., layer-level). We introduce Neuron-Level Fine-Tuning (NeFT), a novel approach that refines the granularity of parameter training down to the individual neuron, enabling more precise and computationally efficient model updates. The experimental results show that NeFT not only exceeded the performance of full-parameter fine-tuning and PEFT but also provided insights into the analysis of neurons.

Within the complex neuroarchitecture of the brain, astrocytes play crucial roles in development, structure, and metabolism. These cells regulate neural activity through tripartite synapses, directly impacting cognitive processes such as learning and memory. Despite the growing recognition of astrocytes' significance, traditional Spiking Neural Network (SNN) models remain predominantly neuron-centric, overlooking the profound influence of astrocytes on neural dynamics. Inspired by these biological insights, we have developed an Astrocyte-Modulated Spiking Unit (AM-SU), an innovative framework that integrates neuron-astrocyte interactions into the computational paradigm, demonstrating wide applicability across various hardware platforms. Our Astrocyte-Modulated Spiking Neural Network (AstroSNN) exhibits exceptional performance in tasks involving memory retention and natural language generation, particularly in handling long-term dependencies and complex linguistic structures. The design of AstroSNN not only enhances its biological authenticity but also introduces novel computational dynamics, enabling more effective processing of complex temporal dependencies. Furthermore, AstroSNN shows low latency, high throughput, and reduced memory usage in practical applications, making it highly suitable for resource-constrained environments. By successfully integrating astrocytic dynamics into intelligent neural networks, our work narrows the gap between biological plausibility and neural modeling, laying the groundwork for future biologically-inspired neural computing research that includes both neurons and astrocytes.

We propose a novel nonlinear bidirectionally coupled heterogeneous chain network whose dynamics evolve in discrete time. The backbone of the model is a pair of popular map-based neuron models, the Chialvo and the Rulkov maps. This model is assumed to proximate the intricate dynamical properties of neurons in the widely complex nervous system. The model is first realized via various nonlinear analysis techniques: fixed point analysis, phase portraits, Jacobian matrix, and bifurcation diagrams. We observe the coexistence of chaotic and period-4 attractors. Various codimension-1 and -2 patterns for example saddle-node, period-doubling, Neimark-Sacker, double Neimark-Sacker, flip- and fold-Neimark Sacker, and 1:1 and 1:2 resonance are also explored. Furthermore, the study employs two synchronization measures to quantify how the oscillators in the network behave in tandem with each other over a long number of iterations. Finally, a time series analysis of the model is performed to investigate its complexity in terms of sample entropy.

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

Legged locomotion is a challenging task in the field of robotics but a rather simple one in nature. This motivates the use of biological methodologies as solutions to this problem. Central pattern generators are neural networks that are thought to be responsible for locomotion in humans and some animal species. As for robotics, many attempts were made to reproduce such systems and use them for a similar goal. One interesting design model is based on spiking neural networks. This model is the main focus of this work, as its contribution is not limited to engineering but also applicable to neuroscience. This paper introduces a new general framework for building central pattern generators that are task-independent, biologically plausible, and rely on learning methods. The abilities and properties of the presented approach are not only evaluated in simulation but also in a robotic experiment. The results are very promising as the used robot was able to perform stable walking at different speeds and to change speed within the same gait cycle.

Recent fMRI-to-image approaches mainly focused on associating fMRI signals with specific conditions of pre-trained diffusion models. These approaches, while producing high-quality images, capture only a limited aspect of the complex information in fMRI signals and offer little detailed control over image creation. In contrast, this paper proposes to directly modulate the generation process of diffusion models using fMRI signals. Our approach, NeuroPictor, divides the fMRI-to-image process into three steps: i) fMRI calibrated-encoding, to tackle multi-individual pre-training for a shared latent space to minimize individual difference and enable the subsequent cross-subject training; ii) fMRI-to-image cross-subject pre-training, perceptually learning to guide diffusion model with high- and low-level conditions across different individuals; iii) fMRI-to-image single-subject refining, similar with step ii but focus on adapting to particular individual. NeuroPictor extracts high-level semantic features from fMRI signals that characterizing the visual stimulus and incrementally fine-tunes the diffusion model with a low-level manipulation network to provide precise structural instructions. By training with over 60,000 fMRI-image pairs from various individuals, our model enjoys superior fMRI-to-image decoding capacity, particularly in the within-subject setting, as evidenced in benchmark datasets. Project page: https://jingyanghuo.github.io/neuropictor/.

There is an analogy that is often made between deep neural networks and actual brains, suggested by the nomenclature itself: the "neurons" in deep neural networks should correspond to neurons (or nerve cells, to avoid confusion) in the brain. We claim, however, that this analogy doesn't even type check: it is structurally flawed. In agreement with the slightly glib summary of Hebbian learning as "cells that fire together wire together", this article makes the case that the analogy should be different. Since the "neurons" in deep neural networks are managing the changing weights, they are more akin to the synapses in the brain; instead, it is the wires in deep neural networks that are more like nerve cells, in that they are what cause the information to flow. An intuition that nerve cells seem like more than mere wires is exactly right, and is justified by a precise category-theoretic analogy which we will explore in this article. Throughout, we will continue to highlight the error in equating artificial neurons with nerve cells by leaving "neuron" in quotes or by calling them artificial neurons. We will first explain how to view deep neural networks as nested dynamical systems with a very restricted sort of interaction pattern, and then explain a more general sort of interaction for dynamical systems that is useful throughout engineering, but which fails to adapt to changing circumstances. As mentioned, an analogy is then forced upon us by the mathematical formalism in which they are both embedded. We call the resulting encompassing generalization deeply interacting learning systems: they have complex interaction as in control theory, but adaptation to circumstances as in deep neural networks.