Daily Papers

Solving image-to-3D from a single view is an ill-posed problem, and current neural reconstruction methods addressing it through diffusion models still rely on scene-specific optimization, constraining their generalization capability. To overcome the limitations of existing approaches regarding generalization and consistency, we introduce a novel neural rendering technique. Our approach employs the signed distance function as the surface representation and incorporates generalizable priors through geometry-encoding volumes and HyperNetworks. Specifically, our method builds neural encoding volumes from generated multi-view inputs. We adjust the weights of the SDF network conditioned on an input image at test-time to allow model adaptation to novel scenes in a feed-forward manner via HyperNetworks. To mitigate artifacts derived from the synthesized views, we propose the use of a volume transformer module to improve the aggregation of image features instead of processing each viewpoint separately. Through our proposed method, dubbed as Hyper-VolTran, we avoid the bottleneck of scene-specific optimization and maintain consistency across the images generated from multiple viewpoints. Our experiments show the advantages of our proposed approach with consistent results and rapid generation.

Robotic grasping in scenes with transparent and specular objects presents great challenges for methods relying on accurate depth information. In this paper, we introduce NeuGrasp, a neural surface reconstruction method that leverages background priors for material-agnostic grasp detection. NeuGrasp integrates transformers and global prior volumes to aggregate multi-view features with spatial encoding, enabling robust surface reconstruction in narrow and sparse viewing conditions. By focusing on foreground objects through residual feature enhancement and refining spatial perception with an occupancy-prior volume, NeuGrasp excels in handling objects with transparent and specular surfaces. Extensive experiments in both simulated and real-world scenarios show that NeuGrasp outperforms state-of-the-art methods in grasping while maintaining comparable reconstruction quality. More details are available at https://neugrasp.github.io/.

Understanding the property of neural populations (or voxels) in the human brain can advance our comprehension of human perceptual and cognitive processing capabilities and contribute to developing brain-inspired computer models. Recent encoding models using deep neural networks (DNNs) have successfully predicted voxel-wise activity. However, interpreting the properties that explain voxel responses remains challenging because of the black-box nature of DNNs. As a solution, we propose LLM-assisted Visual Cortex Captioning (LaVCa), a data-driven approach that uses large language models (LLMs) to generate natural-language captions for images to which voxels are selective. By applying LaVCa for image-evoked brain activity, we demonstrate that LaVCa generates captions that describe voxel selectivity more accurately than the previously proposed method. Furthermore, the captions generated by LaVCa quantitatively capture more detailed properties than the existing method at both the inter-voxel and intra-voxel levels. Furthermore, a more detailed analysis of the voxel-specific properties generated by LaVCa reveals fine-grained functional differentiation within regions of interest (ROIs) in the visual cortex and voxels that simultaneously represent multiple distinct concepts. These findings offer profound insights into human visual representations by assigning detailed captions throughout the visual cortex while highlighting the potential of LLM-based methods in understanding brain representations. Please check out our webpage at https://sites.google.com/view/lavca-llm/

We quantify the upper bound on the size of the implicit neural representation (INR) model from a digital perspective. The upper bound of the model size increases exponentially as the required bit-precision increases. To this end, we present a bit-plane decomposition method that makes INR predict bit-planes, producing the same effect as reducing the upper bound of the model size. We validate our hypothesis that reducing the upper bound leads to faster convergence with constant model size. Our method achieves lossless representation in 2D image and audio fitting, even for high bit-depth signals, such as 16-bit, which was previously unachievable. We pioneered the presence of bit bias, which INR prioritizes as the most significant bit (MSB). We expand the application of the INR task to bit depth expansion, lossless image compression, and extreme network quantization. Our source code is available at https://github.com/WooKyoungHan/LosslessINR

Understanding functional representations within higher visual cortex is a fundamental question in computational neuroscience. While artificial neural networks pretrained on large-scale datasets exhibit striking representational alignment with human neural responses, learning image-computable models of visual cortex relies on individual-level, large-scale fMRI datasets. The necessity for expensive, time-intensive, and often impractical data acquisition limits the generalizability of encoders to new subjects and stimuli. BraInCoRL uses in-context learning to predict voxelwise neural responses from few-shot examples without any additional finetuning for novel subjects and stimuli. We leverage a transformer architecture that can flexibly condition on a variable number of in-context image stimuli, learning an inductive bias over multiple subjects. During training, we explicitly optimize the model for in-context learning. By jointly conditioning on image features and voxel activations, our model learns to directly generate better performing voxelwise models of higher visual cortex. We demonstrate that BraInCoRL consistently outperforms existing voxelwise encoder designs in a low-data regime when evaluated on entirely novel images, while also exhibiting strong test-time scaling behavior. The model also generalizes to an entirely new visual fMRI dataset, which uses different subjects and fMRI data acquisition parameters. Further, BraInCoRL facilitates better interpretability of neural signals in higher visual cortex by attending to semantically relevant stimuli. Finally, we show that our framework enables interpretable mappings from natural language queries to voxel selectivity.

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

We create a reusable Transformer, BrainBERT, for intracranial recordings bringing modern representation learning approaches to neuroscience. Much like in NLP and speech recognition, this Transformer enables classifying complex concepts, i.e., decoding neural data, with higher accuracy and with much less data by being pretrained in an unsupervised manner on a large corpus of unannotated neural recordings. Our approach generalizes to new subjects with electrodes in new positions and to unrelated tasks showing that the representations robustly disentangle the neural signal. Just like in NLP where one can study language by investigating what a language model learns, this approach opens the door to investigating the brain by what a model of the brain learns. As a first step along this path, we demonstrate a new analysis of the intrinsic dimensionality of the computations in different areas of the brain. To construct these representations, we combine a technique for producing super-resolution spectrograms of neural data with an approach designed for generating contextual representations of audio by masking. In the future, far more concepts will be decodable from neural recordings by using representation learning, potentially unlocking the brain like language models unlocked language.

Implicit Neural Representations (INRs) and Neural Fields are a novel paradigm for signal representation, from images and audio to 3D scenes and videos. The fundamental idea is to represent a signal as a continuous and differentiable neural network. This idea offers unprecedented benefits such as continuous resolution and memory efficiency, enabling new compression techniques. However, representing data as neural networks poses new challenges. For instance, given a 2D image as a neural network, how can we further compress such a neural image?. In this work, we present a novel analysis on compressing neural fields, with the focus on images. We also introduce Adaptive Neural Images (ANI), an efficient neural representation that enables adaptation to different inference or transmission requirements. Our proposed method allows to reduce the bits-per-pixel (bpp) of the neural image by 4x, without losing sensitive details or harming fidelity. We achieve this thanks to our successful implementation of 4-bit neural representations. Our work offers a new framework for developing compressed neural fields.

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

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

Deciphering visual content from functional Magnetic Resonance Imaging (fMRI) helps illuminate the human vision system. However, the scarcity of fMRI data and noise hamper brain decoding model performance. Previous approaches primarily employ subject-specific models, sensitive to training sample size. In this paper, we explore a straightforward but overlooked solution to address data scarcity. We propose shallow subject-specific adapters to map cross-subject fMRI data into unified representations. Subsequently, a shared deeper decoding model decodes cross-subject features into the target feature space. During training, we leverage both visual and textual supervision for multi-modal brain decoding. Our model integrates a high-level perception decoding pipeline and a pixel-wise reconstruction pipeline guided by high-level perceptions, simulating bottom-up and top-down processes in neuroscience. Empirical experiments demonstrate robust neural representation learning across subjects for both pipelines. Moreover, merging high-level and low-level information improves both low-level and high-level reconstruction metrics. Additionally, we successfully transfer learned general knowledge to new subjects by training new adapters with limited training data. Compared to previous state-of-the-art methods, notably pre-training-based methods (Mind-Vis and fMRI-PTE), our approach achieves comparable or superior results across diverse tasks, showing promise as an alternative method for cross-subject fMRI data pre-training. Our code and pre-trained weights will be publicly released at https://github.com/YulongBonjour/See_Through_Their_Minds.

The efficient coding hypothesis proposes that the response properties of sensory systems are adapted to the statistics of their inputs such that they capture maximal information about the environment, subject to biological constraints. While elegant, information theoretic properties are notoriously difficult to measure in practical settings or to employ as objective functions in optimization. This difficulty has necessitated that computational models designed to test the hypothesis employ several different information metrics ranging from approximations and lower bounds to proxy measures like reconstruction error. Recent theoretical advances have characterized a novel and ecologically relevant efficiency metric, the manifold capacity, which is the number of object categories that may be represented in a linearly separable fashion. However, calculating manifold capacity is a computationally intensive iterative procedure that until now has precluded its use as an objective. Here we outline the simplifying assumptions that allow manifold capacity to be optimized directly, yielding Maximum Manifold Capacity Representations (MMCR). The resulting method is closely related to and inspired by advances in the field of self supervised learning (SSL), and we demonstrate that MMCRs are competitive with state of the art results on standard SSL benchmarks. Empirical analyses reveal differences between MMCRs and representations learned by other SSL frameworks, and suggest a mechanism by which manifold compression gives rise to class separability. Finally we evaluate a set of SSL methods on a suite of neural predictivity benchmarks, and find MMCRs are higly competitive as models of the ventral stream.

Dual encoders perform retrieval by encoding documents and queries into dense lowdimensional vectors, scoring each document by its inner product with the query. We investigate the capacity of this architecture relative to sparse bag-of-words models and attentional neural networks. Using both theoretical and empirical analysis, we establish connections between the encoding dimension, the margin between gold and lower-ranked documents, and the document length, suggesting limitations in the capacity of fixed-length encodings to support precise retrieval of long documents. Building on these insights, we propose a simple neural model that combines the efficiency of dual encoders with some of the expressiveness of more costly attentional architectures, and explore sparse-dense hybrids to capitalize on the precision of sparse retrieval. These models outperform strong alternatives in large-scale retrieval.

Image-to-fMRI encoding is important for both neuroscience research and practical applications. However, such "Brain-Encoders" have been typically trained per-subject and per fMRI-dataset, thus restricted to very limited training data. In this paper we propose a Universal Brain-Encoder, which can be trained jointly on data from many different subjects/datasets/machines. What makes this possible is our new voxel-centric Encoder architecture, which learns a unique "voxel-embedding" per brain-voxel. Our Encoder trains to predict the response of each brain-voxel on every image, by directly computing the cross-attention between the brain-voxel embedding and multi-level deep image features. This voxel-centric architecture allows the functional role of each brain-voxel to naturally emerge from the voxel-image cross-attention. We show the power of this approach to (i) combine data from multiple different subjects (a "Crowd of Brains") to improve each individual brain-encoding, (ii) quick & effective Transfer-Learning across subjects, datasets, and machines (e.g., 3-Tesla, 7-Tesla), with few training examples, and (iii) use the learned voxel-embeddings as a powerful tool to explore brain functionality (e.g., what is encoded where in the brain).

We interpret the function of individual neurons in CLIP by automatically describing them using text. Analyzing the direct effects (i.e. the flow from a neuron through the residual stream to the output) or the indirect effects (overall contribution) fails to capture the neurons' function in CLIP. Therefore, we present the "second-order lens", analyzing the effect flowing from a neuron through the later attention heads, directly to the output. We find that these effects are highly selective: for each neuron, the effect is significant for <2% of the images. Moreover, each effect can be approximated by a single direction in the text-image space of CLIP. We describe neurons by decomposing these directions into sparse sets of text representations. The sets reveal polysemantic behavior - each neuron corresponds to multiple, often unrelated, concepts (e.g. ships and cars). Exploiting this neuron polysemy, we mass-produce "semantic" adversarial examples by generating images with concepts spuriously correlated to the incorrect class. Additionally, we use the second-order effects for zero-shot segmentation and attribute discovery in images. Our results indicate that a scalable understanding of neurons can be used for model deception and for introducing new model capabilities.

Despite extensive progress on image generation, common deep generative model architectures are not easily applied to lossless compression. For example, VAEs suffer from a compression cost overhead due to their latent variables. This overhead can only be partially eliminated with elaborate schemes such as bits-back coding, often resulting in poor single-sample compression rates. To overcome such problems, we establish a new class of tractable lossless compression models that permit efficient encoding and decoding: Probabilistic Circuits (PCs). These are a class of neural networks involving |p| computational units that support efficient marginalization over arbitrary subsets of the D feature dimensions, enabling efficient arithmetic coding. We derive efficient encoding and decoding schemes that both have time complexity O (log(D) cdot |p|), where a naive scheme would have linear costs in D and |p|, making the approach highly scalable. Empirically, our PC-based (de)compression algorithm runs 5-40 times faster than neural compression algorithms that achieve similar bitrates. By scaling up the traditional PC structure learning pipeline, we achieve state-of-the-art results on image datasets such as MNIST. Furthermore, PCs can be naturally integrated with existing neural compression algorithms to improve the performance of these base models on natural image datasets. Our results highlight the potential impact that non-standard learning architectures may have on neural data compression.

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are represented within the internal neuron activations of LLMs. We train k-sparse linear classifiers (probes) on these internal activations to predict the presence of features in the input; by varying the value of k we study the sparsity of learned representations and how this varies with model scale. With k=1, we localize individual neurons which are highly relevant for a particular feature, and perform a number of case studies to illustrate general properties of LLMs. In particular, we show that early layers make use of sparse combinations of neurons to represent many features in superposition, that middle layers have seemingly dedicated neurons to represent higher-level contextual features, and that increasing scale causes representational sparsity to increase on average, but there are multiple types of scaling dynamics. In all, we probe for over 100 unique features comprising 10 different categories in 7 different models spanning 70 million to 6.9 billion parameters.

Large language models (LLMs) have complicated internal dynamics, but induce representations of words and phrases whose geometry we can study. Human language processing is also opaque, but neural response measurements can provide (noisy) recordings of activation during listening or reading, from which we can extract similar representations of words and phrases. Here we study the extent to which the geometries induced by these representations, share similarities in the context of brain decoding. We find that the larger neural language models get, the more their representations are structurally similar to neural response measurements from brain imaging. Code is available at https://github.com/coastalcph/brainlm.

Deep neural networks tend to exhibit a bias toward low-rank solutions during training, implicitly learning low-dimensional feature representations. This paper investigates how deep multilayer perceptrons (MLPs) encode these feature manifolds and connects this behavior to the Information Bottleneck (IB) theory. We introduce the concept of local rank as a measure of feature manifold dimensionality and demonstrate, both theoretically and empirically, that this rank decreases during the final phase of training. We argue that networks that reduce the rank of their learned representations also compress mutual information between inputs and intermediate layers. This work bridges the gap between feature manifold rank and information compression, offering new insights into the interplay between information bottlenecks and representation learning.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

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.

The semantic matching capabilities of neural information retrieval can ameliorate synonymy and polysemy problems of symbolic approaches. However, neural models' dense representations are more suitable for re-ranking, due to their inefficiency. Sparse representations, either in symbolic or latent form, are more efficient with an inverted index. Taking the merits of the sparse and dense representations, we propose an ultra-high dimensional (UHD) representation scheme equipped with directly controllable sparsity. UHD's large capacity and minimal noise and interference among the dimensions allow for binarized representations, which are highly efficient for storage and search. Also proposed is a bucketing method, where the embeddings from multiple layers of BERT are selected/merged to represent diverse linguistic aspects. We test our models with MS MARCO and TREC CAR, showing that our models outperforms other sparse models

Sparse computation offers a compelling solution for the inference of Large Language Models (LLMs) in low-resource scenarios by dynamically skipping the computation of inactive neurons. While traditional approaches focus on ReLU-based LLMs, leveraging zeros in activation values, we broaden the scope of sparse LLMs beyond zero activation values. We introduce a general method that defines neuron activation through neuron output magnitudes and a tailored magnitude threshold, demonstrating that non-ReLU LLMs also exhibit sparse activation. To find the most efficient activation function for sparse computation, we propose a systematic framework to examine the sparsity of LLMs from three aspects: the trade-off between sparsity and performance, the predictivity of sparsity, and the hardware affinity. We conduct thorough experiments on LLMs utilizing different activation functions, including ReLU, SwiGLU, ReGLU, and ReLU^2. The results indicate that models employing ReLU^2 excel across all three evaluation aspects, highlighting its potential as an efficient activation function for sparse LLMs. We will release the code to facilitate future research.

In the field of neural data compression, the prevailing focus has been on optimizing algorithms for either classical distortion metrics, such as PSNR or SSIM, or human perceptual quality. With increasing amounts of data consumed by machines rather than humans, a new paradigm of machine-oriented compressionx2013which prioritizes the retention of features salient for machine perception over traditional human-centric criteriax2013has emerged, creating several new challenges to the development, evaluation, and deployment of systems utilizing lossy compression. In particular, it is unclear how different approaches to lossy compression will affect the performance of downstream machine perception tasks. To address this under-explored area, we evaluate various perception modelsx2013including image classification, image segmentation, speech recognition, and music source separationx2013under severe lossy compression. We utilize several popular codecs spanning conventional, neural, and generative compression architectures. Our results indicate three key findings: (1) using generative compression, it is feasible to leverage highly compressed data while incurring a negligible impact on machine perceptual quality; (2) machine perceptual quality correlates strongly with deep similarity metrics, indicating a crucial role of these metrics in the development of machine-oriented codecs; and (3) using lossy compressed datasets, (e.g. ImageNet) for pre-training can lead to counter-intuitive scenarios where lossy compression increases machine perceptual quality rather than degrading it. To encourage engagement on this growing area of research, our code and experiments are available at: https://github.com/danjacobellis/MPQ.

Representations from transformer-based unidirectional language models are known to be effective at predicting brain responses to natural language. However, most studies comparing language models to brains have used GPT-2 or similarly sized language models. Here we tested whether larger open-source models such as those from the OPT and LLaMA families are better at predicting brain responses recorded using fMRI. Mirroring scaling results from other contexts, we found that brain prediction performance scales log-linearly with model size from 125M to 30B parameter models, with ~15% increased encoding performance as measured by correlation with a held-out test set across 3 subjects. Similar log-linear behavior was observed when scaling the size of the fMRI training set. We also characterized scaling for acoustic encoding models that use HuBERT, WavLM, and Whisper, and we found comparable improvements with model size. A noise ceiling analysis of these large, high-performance encoding models showed that performance is nearing the theoretical maximum for brain areas such as the precuneus and higher auditory cortex. These results suggest that increasing scale in both models and data will yield incredibly effective models of language processing in the brain, enabling better scientific understanding as well as applications such as decoding.

Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show that autoencoder models implicitly define a latent vector field on the manifold, derived by iteratively applying the encoding-decoding map, without any additional training. We observe that standard training procedures introduce inductive biases that lead to the emergence of attractor points within this vector field. Drawing on this insight, we propose to leverage the vector field as a representation for the network, providing a novel tool to analyze the properties of the model and the data. This representation enables to: (i) analyze the generalization and memorization regimes of neural models, even throughout training; (ii) extract prior knowledge encoded in the network's parameters from the attractors, without requiring any input data; (iii) identify out-of-distribution samples from their trajectories in the vector field. We further validate our approach on vision foundation models, showcasing the applicability and effectiveness of our method in real-world scenarios.

Self-supervised models have revolutionized speech processing, achieving new levels of performance in a wide variety of tasks with limited resources. However, the inner workings of these models are still opaque. In this paper, we aim to analyze the encoded contextual representation of these foundation models based on their inter- and intra-model similarity, independent of any external annotation and task-specific constraint. We examine different SSL models varying their training paradigm -- Contrastive (Wav2Vec2.0) and Predictive models (HuBERT); and model sizes (base and large). We explore these models on different levels of localization/distributivity of information including (i) individual neurons; (ii) layer representation; (iii) attention weights and (iv) compare the representations with their finetuned counterparts.Our results highlight that these models converge to similar representation subspaces but not to similar neuron-localized concepts\footnote{A concept represents a coherent fragment of knowledge, such as ``a class containing certain objects as elements, where the objects have certain properties. We made the code publicly available for facilitating further research, we publicly released our code.

We present a self-supervised framework that learns population-level codes for arbitrary ensembles of neural recordings at scale. We address two key challenges in scaling models with neural time-series data: sparse and variable electrode distribution across subjects and datasets. The Population Transformer (PopT) stacks on top of pretrained representations and enhances downstream decoding by enabling learned aggregation of multiple spatially-sparse data channels. The pretrained PopT lowers the amount of data required for downstream decoding experiments, while increasing accuracy, even on held-out subjects and tasks. Compared to end-to-end methods, this approach is computationally lightweight and more interpretable, while still retaining competitive performance. We further show how our framework is generalizable to multiple time-series embeddings and neural data modalities. Beyond decoding, we interpret the pretrained PopT and fine-tuned models to show how they can be used to extract neuroscience insights from massive amounts of data. We release our code as well as a pretrained PopT to enable off-the-shelf improvements in multi-channel intracranial data decoding and interpretability.

Attending to what is relevant is fundamental to both the mammalian brain and modern machine learning models such as Transformers. Yet, determining relevance remains a core challenge, traditionally offloaded to learning algorithms like backpropagation. Inspired by recent cellular neurobiological evidence linking neocortical pyramidal cells to distinct mental states, this work shows how models (e.g., Transformers) can emulate high-level perceptual processing and awake thought (imagination) states to pre-select relevant information before applying attention. Triadic neuronal-level modulation loops among questions (Q), clues (keys, K), and hypotheses (values, V) enable diverse, deep, parallel reasoning chains at the representation level and allow a rapid shift from initial biases to refined understanding. This leads to orders-of-magnitude faster learning with significantly reduced computational demand (e.g., fewer heads, layers, and tokens), at an approximate cost of O(N), where N is the number of input tokens. Results span reinforcement learning (e.g., CarRacing in a high-dimensional visual setup), computer vision, and natural language question answering.

Neural image compression methods have seen increasingly strong performance in recent years. However, they suffer orders of magnitude higher computational complexity compared to traditional codecs, which stands in the way of real-world deployment. This paper takes a step forward in closing this gap in decoding complexity by adopting shallow or even linear decoding transforms. To compensate for the resulting drop in compression performance, we exploit the often asymmetrical computation budget between encoding and decoding, by adopting more powerful encoder networks and iterative encoding. We theoretically formalize the intuition behind, and our experimental results establish a new frontier in the trade-off between rate-distortion and decoding complexity for neural image compression. Specifically, we achieve rate-distortion performance competitive with the established mean-scale hyperprior architecture of Minnen et al. (2018), while reducing the overall decoding complexity by 80 %, or over 90 % for the synthesis transform alone. Our code can be found at https://github.com/mandt-lab/shallow-ntc.

We propose a formal mathematical model for sparse representations and active dendrites in neocortex. Our model is inspired by recent experimental findings on active dendritic processing and NMDA spikes in pyramidal neurons. These experimental and modeling studies suggest that the basic unit of pattern memory in the neocortex is instantiated by small clusters of synapses operated on by localized non-linear dendritic processes. We derive a number of scaling laws that characterize the accuracy of such dendrites in detecting activation patterns in a neuronal population under adverse conditions. We introduce the union property which shows that synapses for multiple patterns can be randomly mixed together within a segment and still lead to highly accurate recognition. We describe simulation results that provide further insight into sparse representations as well as two primary results. First we show that pattern recognition by a neuron with active dendrites can be extremely accurate and robust with high dimensional sparse inputs even when using a tiny number of synapses to recognize large patterns. Second, equations representing recognition accuracy of a dendrite predict optimal NMDA spiking thresholds under a generous set of assumptions. The prediction tightly matches NMDA spiking thresholds measured in the literature. Our model matches many of the known properties of pyramidal neurons. As such the theory provides a mathematical framework for understanding the benefits and limits of sparse representations in cortical networks.

This paper introduces an efficient and robust method for discovering interpretable circuits in large language models using discrete sparse autoencoders. Our approach addresses key limitations of existing techniques, namely computational complexity and sensitivity to hyperparameters. We propose training sparse autoencoders on carefully designed positive and negative examples, where the model can only correctly predict the next token for the positive examples. We hypothesise that learned representations of attention head outputs will signal when a head is engaged in specific computations. By discretising the learned representations into integer codes and measuring the overlap between codes unique to positive examples for each head, we enable direct identification of attention heads involved in circuits without the need for expensive ablations or architectural modifications. On three well-studied tasks - indirect object identification, greater-than comparisons, and docstring completion - the proposed method achieves higher precision and recall in recovering ground-truth circuits compared to state-of-the-art baselines, while reducing runtime from hours to seconds. Notably, we require only 5-10 text examples for each task to learn robust representations. Our findings highlight the promise of discrete sparse autoencoders for scalable and efficient mechanistic interpretability, offering a new direction for analysing the inner workings of large language models.

Transformers are powerful sequence models, but require time and memory that grows quadratically with the sequence length. In this paper we introduce sparse factorizations of the attention matrix which reduce this to O(n n). We also introduce a) a variation on architecture and initialization to train deeper networks, b) the recomputation of attention matrices to save memory, and c) fast attention kernels for training. We call networks with these changes Sparse Transformers, and show they can model sequences tens of thousands of timesteps long using hundreds of layers. We use the same architecture to model images, audio, and text from raw bytes, setting a new state of the art for density modeling of Enwik8, CIFAR-10, and ImageNet-64. We generate unconditional samples that demonstrate global coherence and great diversity, and show it is possible in principle to use self-attention to model sequences of length one million or more.

Large Language Models (LLMs) do not differentially represent numbers, which are pervasive in text. In contrast, neuroscience research has identified distinct neural representations for numbers and words. In this work, we investigate how well popular LLMs capture the magnitudes of numbers (e.g., that 4 < 5) from a behavioral lens. Prior research on the representational capabilities of LLMs evaluates whether they show human-level performance, for instance, high overall accuracy on standard benchmarks. Here, we ask a different question, one inspired by cognitive science: How closely do the number representations of LLMscorrespond to those of human language users, who typically demonstrate the distance, size, and ratio effects? We depend on a linking hypothesis to map the similarities among the model embeddings of number words and digits to human response times. The results reveal surprisingly human-like representations across language models of different architectures, despite the absence of the neural circuitry that directly supports these representations in the human brain. This research shows the utility of understanding LLMs using behavioral benchmarks and points the way to future work on the number representations of LLMs and their cognitive plausibility.

Neural Radiance Fields (NeRF) methods have proved effective as compact, high-quality and versatile representations for 3D scenes, and enable downstream tasks such as editing, retrieval, navigation, etc. Various neural architectures are vying for the core structure of NeRF, including the plain Multi-Layer Perceptron (MLP), sparse tensors, low-rank tensors, hashtables and their compositions. Each of these representations has its particular set of trade-offs. For example, the hashtable-based representations admit faster training and rendering but their lack of clear geometric meaning hampers downstream tasks like spatial-relation-aware editing. In this paper, we propose Progressive Volume Distillation (PVD), a systematic distillation method that allows any-to-any conversions between different architectures, including MLP, sparse or low-rank tensors, hashtables and their compositions. PVD consequently empowers downstream applications to optimally adapt the neural representations for the task at hand in a post hoc fashion. The conversions are fast, as distillation is progressively performed on different levels of volume representations, from shallower to deeper. We also employ special treatment of density to deal with its specific numerical instability problem. Empirical evidence is presented to validate our method on the NeRF-Synthetic, LLFF and TanksAndTemples datasets. For example, with PVD, an MLP-based NeRF model can be distilled from a hashtable-based Instant-NGP model at a 10X~20X faster speed than being trained the original NeRF from scratch, while achieving a superior level of synthesis quality. Code is available at https://github.com/megvii-research/AAAI2023-PVD.

Recently, there has been a surge in the popularity of pre trained large language models (LLMs) (such as GPT-4), sweeping across the entire Natural Language Processing (NLP) and Computer Vision (CV) communities. These LLMs have demonstrated advanced multi-modal understanding capabilities and showcased strong performance across various benchmarks. The LLM has started to embody traits of artificial general intelligence, which holds vital guidance for enhancing brain-like characteristics within visual encoding models. Hence, This paper proposes a new multi-modal training paradigm, aligning with LLM, for encoding fMRI activity in visual cortex. Based on this paradigm, we trained an encoding model in fMRI data named the LLM-Visual Encoding Model (LLM-VEM). Specifically, we utilize LLM (miniGPT4) to generate descriptive text for all stimulus images, forming a high-quality textual description set. Moreover, we use the pre-trained text encoder (CLIP) to process these detailed descriptions, obtaining the text embedding features. Next, we use the contrast loss function to minimize the distance between the image embedding features and the text embedding features to complete the alignment operation of the stimulus image and text information. With the assistance of the pre-trained LLM, this alignment process facilitates better learning of the visual encoding model, resulting in higher precision. The final experimental results indicate that our training paradigm has significantly aided in enhancing the performance of the visual encoding model.

This paper introduces a novel hierarchical autoencoder that maps 3D models into a highly compressed latent space. The hierarchical autoencoder is specifically designed to tackle the challenges arising from large-scale datasets and generative modeling using diffusion. Different from previous approaches that only work on a regular image or volume grid, our hierarchical autoencoder operates on unordered sets of vectors. Each level of the autoencoder controls different geometric levels of detail. We show that the model can be used to represent a wide range of 3D models while faithfully representing high-resolution geometry details. The training of the new architecture takes 0.70x time and 0.58x memory compared to the baseline. We also explore how the new representation can be used for generative modeling. Specifically, we propose a cascaded diffusion framework where each stage is conditioned on the previous stage. Our design extends existing cascaded designs for image and volume grids to vector sets.

Sparse Autoencoders (SAEs) have emerged as a useful tool for interpreting the internal representations of neural networks. However, naively optimising SAEs for reconstruction loss and sparsity results in a preference for SAEs that are extremely wide and sparse. We present an information-theoretic framework for interpreting SAEs as lossy compression algorithms for communicating explanations of neural activations. We appeal to the Minimal Description Length (MDL) principle to motivate explanations of activations which are both accurate and concise. We further argue that interpretable SAEs require an additional property, "independent additivity": features should be able to be understood separately. We demonstrate an example of applying our MDL-inspired framework by training SAEs on MNIST handwritten digits and find that SAE features representing significant line segments are optimal, as opposed to SAEs with features for memorised digits from the dataset or small digit fragments. We argue that using MDL rather than sparsity may avoid potential pitfalls with naively maximising sparsity such as undesirable feature splitting and that this framework naturally suggests new hierarchical SAE architectures which provide more concise explanations.

Every day, the human brain processes an immense volume of visual information, relying on intricate neural mechanisms to perceive and interpret these stimuli. Recent breakthroughs in functional magnetic resonance imaging (fMRI) have enabled scientists to extract visual information from human brain activity patterns. In this study, we present an innovative method for decoding brain activity into meaningful images and captions, with a specific focus on brain captioning due to its enhanced flexibility as compared to brain decoding into images. Our approach takes advantage of cutting-edge image captioning models and incorporates a unique image reconstruction pipeline that utilizes latent diffusion models and depth estimation. We utilized the Natural Scenes Dataset, a comprehensive fMRI dataset from eight subjects who viewed images from the COCO dataset. We employed the Generative Image-to-text Transformer (GIT) as our backbone for captioning and propose a new image reconstruction pipeline based on latent diffusion models. The method involves training regularized linear regression models between brain activity and extracted features. Additionally, we incorporated depth maps from the ControlNet model to further guide the reconstruction process. We evaluate our methods using quantitative metrics for both generated captions and images. Our brain captioning approach outperforms existing methods, while our image reconstruction pipeline generates plausible images with improved spatial relationships. In conclusion, we demonstrate significant progress in brain decoding, showcasing the enormous potential of integrating vision and language to better understand human cognition. Our approach provides a flexible platform for future research, with potential applications in various fields, including neural art, style transfer, and portable devices.

Understanding the functional organization of higher visual cortex is a central focus in neuroscience. Past studies have primarily mapped the visual and semantic selectivity of neural populations using hand-selected stimuli, which may potentially bias results towards pre-existing hypotheses of visual cortex functionality. Moving beyond conventional approaches, we introduce a data-driven method that generates natural language descriptions for images predicted to maximally activate individual voxels of interest. Our method -- Semantic Captioning Using Brain Alignments ("BrainSCUBA") -- builds upon the rich embedding space learned by a contrastive vision-language model and utilizes a pre-trained large language model to generate interpretable captions. We validate our method through fine-grained voxel-level captioning across higher-order visual regions. We further perform text-conditioned image synthesis with the captions, and show that our images are semantically coherent and yield high predicted activations. Finally, to demonstrate how our method enables scientific discovery, we perform exploratory investigations on the distribution of "person" representations in the brain, and discover fine-grained semantic selectivity in body-selective areas. Unlike earlier studies that decode text, our method derives voxel-wise captions of semantic selectivity. Our results show that BrainSCUBA is a promising means for understanding functional preferences in the brain, and provides motivation for further hypothesis-driven investigation of visual cortex.

Current vision systems typically assign fixed-length representations to images, regardless of the information content. This contrasts with human intelligence - and even large language models - which allocate varying representational capacities based on entropy, context and familiarity. Inspired by this, we propose an approach to learn variable-length token representations for 2D images. Our encoder-decoder architecture recursively processes 2D image tokens, distilling them into 1D latent tokens over multiple iterations of recurrent rollouts. Each iteration refines the 2D tokens, updates the existing 1D latent tokens, and adaptively increases representational capacity by adding new tokens. This enables compression of images into a variable number of tokens, ranging from 32 to 256. We validate our tokenizer using reconstruction loss and FID metrics, demonstrating that token count aligns with image entropy, familiarity and downstream task requirements. Recurrent token processing with increasing representational capacity in each iteration shows signs of token specialization, revealing potential for object / part discovery.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

Recent advances in Large Multimodal Models (LMMs) lead to significant breakthroughs in both academia and industry. One question that arises is how we, as humans, can understand their internal neural representations. This paper takes an initial step towards addressing this question by presenting a versatile framework to identify and interpret the semantics within LMMs. Specifically, 1) we first apply a Sparse Autoencoder(SAE) to disentangle the representations into human understandable features. 2) We then present an automatic interpretation framework to interpreted the open-semantic features learned in SAE by the LMMs themselves. We employ this framework to analyze the LLaVA-NeXT-8B model using the LLaVA-OV-72B model, demonstrating that these features can effectively steer the model's behavior. Our results contribute to a deeper understanding of why LMMs excel in specific tasks, including EQ tests, and illuminate the nature of their mistakes along with potential strategies for their rectification. These findings offer new insights into the internal mechanisms of LMMs and suggest parallels with the cognitive processes of the human brain.

Attention based Transformer architecture has enabled significant advances in the field of natural language processing. In addition to new pre-training techniques, recent improvements crucially rely on working with a relatively larger embedding dimension for tokens. Unfortunately, this leads to models that are prohibitively large to be employed in the downstream tasks. In this paper we identify one of the important factors contributing to the large embedding size requirement. In particular, our analysis highlights that the scaling between the number of heads and the size of each head in the current architecture gives rise to a low-rank bottleneck in attention heads, causing this limitation. We further validate this in our experiments. As a solution we propose to set the head size of an attention unit to input sequence length, and independent of the number of heads, resulting in multi-head attention layers with provably more expressive power. We empirically show that this allows us to train models with a relatively smaller embedding dimension and with better performance scaling.

Implicit Neural Representations (INRs) have recently shown impressive results, but their fundamental capacity, implicit biases, and scaling behavior remain poorly understood. We investigate the performance of diverse INRs across a suite of 2D and 3D real and synthetic signals with varying effective bandwidth, as well as both overfitting and generalization tasks including tomography, super-resolution, and denoising. By stratifying performance according to model size as well as signal type and bandwidth, our results shed light on how different INR and grid representations allocate their capacity. We find that, for most tasks and signals, a simple regularized grid with interpolation trains faster and to higher quality than any INR with the same number of parameters. We also find limited settings where INRs outperform grids -- namely fitting signals with underlying lower-dimensional structure such as shape contours -- to guide future use of INRs towards the most advantageous applications. Code and synthetic signals used in our analysis are available at https://github.com/voilalab/INR-benchmark.

In the pursuit to understand the intricacies of human brain's visual processing, reconstructing dynamic visual experiences from brain activities emerges as a challenging yet fascinating endeavor. While recent advancements have achieved success in reconstructing static images from non-invasive brain recordings, the domain of translating continuous brain activities into video format remains underexplored. In this work, we introduce NeuroCine, a novel dual-phase framework to targeting the inherent challenges of decoding fMRI data, such as noises, spatial redundancy and temporal lags. This framework proposes spatial masking and temporal interpolation-based augmentation for contrastive learning fMRI representations and a diffusion model enhanced by dependent prior noise for video generation. Tested on a publicly available fMRI dataset, our method shows promising results, outperforming the previous state-of-the-art models by a notable margin of {20.97%}, {31.00%} and {12.30%} respectively on decoding the brain activities of three subjects in the fMRI dataset, as measured by SSIM. Additionally, our attention analysis suggests that the model aligns with existing brain structures and functions, indicating its biological plausibility and interpretability.

A long standing goal in neuroscience has been to elucidate the functional organization of the brain. Within higher visual cortex, functional accounts have remained relatively coarse, focusing on regions of interest (ROIs) and taking the form of selectivity for broad categories such as faces, places, bodies, food, or words. Because the identification of such ROIs has typically relied on manually assembled stimulus sets consisting of isolated objects in non-ecological contexts, exploring functional organization without robust a priori hypotheses has been challenging. To overcome these limitations, we introduce a data-driven approach in which we synthesize images predicted to activate a given brain region using paired natural images and fMRI recordings, bypassing the need for category-specific stimuli. Our approach -- Brain Diffusion for Visual Exploration ("BrainDiVE") -- builds on recent generative methods by combining large-scale diffusion models with brain-guided image synthesis. Validating our method, we demonstrate the ability to synthesize preferred images with appropriate semantic specificity for well-characterized category-selective ROIs. We then show that BrainDiVE can characterize differences between ROIs selective for the same high-level category. Finally we identify novel functional subdivisions within these ROIs, validated with behavioral data. These results advance our understanding of the fine-grained functional organization of human visual cortex, and provide well-specified constraints for further examination of cortical organization using hypothesis-driven methods.

Recent work has shown that feed-forward networks (FFNs) in pre-trained Transformers are a key component, storing various linguistic and factual knowledge. However, the computational patterns of FFNs are still unclear. In this work, we study the computational patterns of FFNs and observe that most inputs only activate a tiny ratio of neurons of FFNs. This phenomenon is similar to the sparsity of the human brain, which drives research on functional partitions of the human brain. To verify whether functional partitions also emerge in FFNs, we propose to convert a model into its MoE version with the same parameters, namely MoEfication. Specifically, MoEfication consists of two phases: (1) splitting the parameters of FFNs into multiple functional partitions as experts, and (2) building expert routers to decide which experts will be used for each input. Experimental results show that MoEfication can conditionally use 10% to 30% of FFN parameters while maintaining over 95% original performance for different models on various downstream tasks. Besides, MoEfication brings two advantages: (1) it significantly reduces the FLOPS of inference, i.e., 2x speedup with 25% of FFN parameters, and (2) it provides a fine-grained perspective to study the inner mechanism of FFNs. The source code of this paper can be obtained from https://github.com/thunlp/MoEfication.

To improve how neural networks function it is crucial to understand their learning process. The information bottleneck theory of deep learning proposes that neural networks achieve good generalization by compressing their representations to disregard information that is not relevant to the task. However, empirical evidence for this theory is conflicting, as compression was only observed when networks used saturating activation functions. In contrast, networks with non-saturating activation functions achieved comparable levels of task performance but did not show compression. In this paper we developed more robust mutual information estimation techniques, that adapt to hidden activity of neural networks and produce more sensitive measurements of activations from all functions, especially unbounded functions. Using these adaptive estimation techniques, we explored compression in networks with a range of different activation functions. With two improved methods of estimation, firstly, we show that saturation of the activation function is not required for compression, and the amount of compression varies between different activation functions. We also find that there is a large amount of variation in compression between different network initializations. Secondary, we see that L2 regularization leads to significantly increased compression, while preventing overfitting. Finally, we show that only compression of the last layer is positively correlated with generalization.

Enabling effective brain-computer interfaces requires understanding how the human brain encodes stimuli across modalities such as visual, language (or text), etc. Brain encoding aims at constructing fMRI brain activity given a stimulus. There exists a plethora of neural encoding models which study brain encoding for single mode stimuli: visual (pretrained CNNs) or text (pretrained language models). Few recent papers have also obtained separate visual and text representation models and performed late-fusion using simple heuristics. However, previous work has failed to explore: (a) the effectiveness of image Transformer models for encoding visual stimuli, and (b) co-attentive multi-modal modeling for visual and text reasoning. In this paper, we systematically explore the efficacy of image Transformers (ViT, DEiT, and BEiT) and multi-modal Transformers (VisualBERT, LXMERT, and CLIP) for brain encoding. Extensive experiments on two popular datasets, BOLD5000 and Pereira, provide the following insights. (1) To the best of our knowledge, we are the first to investigate the effectiveness of image and multi-modal Transformers for brain encoding. (2) We find that VisualBERT, a multi-modal Transformer, significantly outperforms previously proposed single-mode CNNs, image Transformers as well as other previously proposed multi-modal models, thereby establishing new state-of-the-art. The supremacy of visio-linguistic models raises the question of whether the responses elicited in the visual regions are affected implicitly by linguistic processing even when passively viewing images. Future fMRI tasks can verify this computational insight in an appropriate experimental setting.

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

Transformers have become the go-to architecture for language and vision tasks, yet their theoretical properties, especially memorization capacity, remain elusive. This paper investigates the memorization abilities of multi-head attention mechanisms, examining how many example sequences they can memorize, as a function of the number of heads and sequence length. Motivated by experimental findings on vision transformers, we introduce novel assumptions about the linear independence of input data, distinct from the commonly used general-position assumption. Under these assumptions, we demonstrate that an attention layer with H heads, dimension d, and context size n < d, featuring Theta(Hd^2) parameters, can memorize Omega(Hn) examples. Our analysis sheds light on how different attention heads handle various example sequences, aided by the softmax operator's saturation property. We validate our findings through experiments on synthetic data.

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of experiments on synthetic data modeled by Latent Dirichlet Allocation (LDA), Wikipedia data, and mathematical analysis that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Classical models of memory in psychology and neuroscience rely on similarity-based retrieval of stored patterns, where similarity is a function of retrieval cues and the stored patterns. While parsimonious, these models do not allow distinct representations for storage and retrieval, despite their distinct computational demands. Key-value memory systems, in contrast, distinguish representations used for storage (values) and those used for retrieval (keys). This allows key-value memory systems to optimize simultaneously for fidelity in storage and discriminability in retrieval. We review the computational foundations of key-value memory, its role in modern machine learning systems, related ideas from psychology and neuroscience, applications to a number of empirical puzzles, and possible biological implementations.

In this paper, we contend that a natural objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a low-dimensional Gaussian mixture supported on incoherent subspaces. The goodness of such a representation can be evaluated by a principled measure, called sparse rate reduction, that simultaneously maximizes the intrinsic information gain and extrinsic sparsity of the learned representation. From this perspective, popular deep network architectures, including transformers, can be viewed as realizing iterative schemes to optimize this measure. Particularly, we derive a transformer block from alternating optimization on parts of this objective: the multi-head self-attention operator compresses the representation by implementing an approximate gradient descent step on the coding rate of the features, and the subsequent multi-layer perceptron sparsifies the features. This leads to a family of white-box transformer-like deep network architectures, named CRATE, which are mathematically fully interpretable. We show, by way of a novel connection between denoising and compression, that the inverse to the aforementioned compressive encoding can be realized by the same class of CRATE architectures. Thus, the so-derived white-box architectures are universal to both encoders and decoders. Experiments show that these networks, despite their simplicity, indeed learn to compress and sparsify representations of large-scale real-world image and text datasets, and achieve performance very close to highly engineered transformer-based models: ViT, MAE, DINO, BERT, and GPT2. We believe the proposed computational framework demonstrates great potential in bridging the gap between theory and practice of deep learning, from a unified perspective of data compression. Code is available at: https://ma-lab-berkeley.github.io/CRATE .

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.

Mapping sequences of discrete data to a point in a continuous space makes it difficult to retrieve those sequences via random sampling. Mapping the input to a volume would make it easier to retrieve at test time, and that's the strategy followed by the family of approaches based on Variational Autoencoder. However the fact that they are at the same time optimizing for prediction and for smoothness of representation, forces them to trade-off between the two. We improve on the performance of some of the standard methods in deep learning to generate sentences by uniformly sampling a continuous space. We do it by proposing AriEL, that constructs volumes in a continuous space, without the need of encouraging the creation of volumes through the loss function. We first benchmark on a toy grammar, that allows to automatically evaluate the language learned and generated by the models. Then, we benchmark on a real dataset of human dialogues. Our results indicate that the random access to the stored information is dramatically improved, and our method AriEL is able to generate a wider variety of correct language by randomly sampling the latent space. VAE follows in performance for the toy dataset while, AE and Transformer follow for the real dataset. This partially supports to the hypothesis that encoding information into volumes instead of into points, can lead to improved retrieval of learned information with random sampling. This can lead to better generators and we also discuss potential disadvantages.

Attention layers, as commonly used in transformers, form the backbone of modern deep learning, yet there is no mathematical description of their benefits and deficiencies as compared with other architectures. In this work we establish both positive and negative results on the representation power of attention layers, with a focus on intrinsic complexity parameters such as width, depth, and embedding dimension. On the positive side, we present a sparse averaging task, where recurrent networks and feedforward networks all have complexity scaling polynomially in the input size, whereas transformers scale merely logarithmically in the input size; furthermore, we use the same construction to show the necessity and role of a large embedding dimension in a transformer. On the negative side, we present a triple detection task, where attention layers in turn have complexity scaling linearly in the input size; as this scenario seems rare in practice, we also present natural variants that can be efficiently solved by attention layers. The proof techniques emphasize the value of communication complexity in the analysis of transformers and related models, and the role of sparse averaging as a prototypical attention task, which even finds use in the analysis of triple detection.

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with feed-forward networks, enabling a more expressive representation of relationships between tokens. This approach modifies only the attention matrix calculation while preserving the matrix dimensions, making it easily adaptable to existing transformer-based architectures. We provide a detailed mathematical justification for why Neural Attention increases representational capacity and conduct controlled experiments to validate this claim. When comparing Neural Attention and Dot-Product Attention, NLP experiments on WikiText-103 show a reduction in perplexity of over 5 percent. Similarly, experiments on CIFAR-10 and CIFAR-100 show comparable improvements for image classification tasks. While Neural Attention introduces higher computational demands, we develop techniques to mitigate these challenges, ensuring practical usability without sacrificing the increased expressivity it provides. This work establishes Neural Attention as an effective means of enhancing the predictive capabilities of transformer models across a variety of applications.

A central question for neuroscience is how to characterize brain representations of perceptual and cognitive content. An ideal characterization should distinguish different functional regions with robustness to noise and idiosyncrasies of individual brains that do not correspond to computational differences. Previous studies have characterized brain representations by their representational geometry, which is defined by the representational dissimilarity matrix (RDM), a summary statistic that abstracts from the roles of individual neurons (or responses channels) and characterizes the discriminability of stimuli. Here we explore a further step of abstraction: from the geometry to the topology of brain representations. We propose topological representational similarity analysis (tRSA), an extension of representational similarity analysis (RSA) that uses a family of geo-topological summary statistics that generalizes the RDM to characterize the topology while de-emphasizing the geometry. We evaluate this new family of statistics in terms of the sensitivity and specificity for model selection using both simulations and functional MRI (fMRI) data. In the simulations, the ground truth is a data-generating layer representation in a neural network model and the models are the same and other layers in different model instances (trained from different random seeds). In fMRI, the ground truth is a visual area and the models are the same and other areas measured in different subjects. Results show that topology-sensitive characterizations of population codes are robust to noise and interindividual variability and maintain excellent sensitivity to the unique representational signatures of different neural network layers and brain regions.

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

Implicit neural representations (INR) have gained significant popularity for signal and image representation for many end-tasks, such as superresolution, 3D modeling, and more. Most INR architectures rely on sinusoidal positional encoding, which accounts for high-frequency information in data. However, the finite encoding size restricts the model's representational power. Higher representational power is needed to go from representing a single given image to representing large and diverse datasets. Our approach addresses this gap by representing an image with a polynomial function and eliminates the need for positional encodings. Therefore, to achieve a progressively higher degree of polynomial representation, we use element-wise multiplications between features and affine-transformed coordinate locations after every ReLU layer. The proposed method is evaluated qualitatively and quantitatively on large datasets like ImageNet. The proposed Poly-INR model performs comparably to state-of-the-art generative models without any convolution, normalization, or self-attention layers, and with far fewer trainable parameters. With much fewer training parameters and higher representative power, our approach paves the way for broader adoption of INR models for generative modeling tasks in complex domains. The code is available at https://github.com/Rajhans0/Poly_INR

Model compression offers a promising path to reducing the cost and inaccessibility of large pre-trained models, without significantly compromising their impressive performance. Large Transformer models, including large language models (LLMs), often contain computational redundancy, which can serve as a target for new model compression methods. In this work, we specifically target neuron-level redundancies in model layers by combining groups of similar neurons into fewer neurons. We frame this width reduction as a Discrete Optimal Transport problem, and propose DOTResize, a novel Transformer compression method that uses optimal transport theory to transform and compress model weights. To ensure applicability within the Transformer architecture, we motivate and incorporate entropic regularization and matrix factorization into the transportation maps produced by our method. Unlike pruning-based approaches which discard neurons based on importance measures, DOTResize re-projects the entire neuron width, allowing the retention and redistribution of useful signal across the reduced layer. Empirical results show that compared to simple or state-of-the-art neuron width-pruning techniques, DOTResize can outperform these methods across multiple LLM families and sizes, while achieving measurable reductions in real-world computational cost.

Over the past decade, predictive modeling of neural responses in the primate visual system has advanced significantly, largely driven by various DNN approaches. These include models optimized directly for visual recognition, cross-modal alignment through contrastive objectives, neural response prediction from scratch, and large language model embeddings.Likewise, different readout mechanisms, ranging from fully linear to spatial-feature factorized methods have been explored for mapping network activations to neural responses. Despite the diversity of these approaches, it remains unclear which method performs best across different visual regions. In this study, we systematically compare these approaches for modeling the human visual system and investigate alternative strategies to improve response predictions. Our findings reveal that for early to mid-level visual areas, response-optimized models with visual inputs offer superior prediction accuracy, while for higher visual regions, embeddings from LLMs based on detailed contextual descriptions of images and task-optimized models pretrained on large vision datasets provide the best fit. Through comparative analysis of these modeling approaches, we identified three distinct regions in the visual cortex: one sensitive primarily to perceptual features of the input that are not captured by linguistic descriptions, another attuned to fine-grained visual details representing semantic information, and a third responsive to abstract, global meanings aligned with linguistic content. We also highlight the critical role of readout mechanisms, proposing a novel scheme that modulates receptive fields and feature maps based on semantic content, resulting in an accuracy boost of 3-23% over existing SOTAs for all models and brain regions. Together, these findings offer key insights into building more precise models of the visual system.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

Reconstructions of visual perception from brain activity have improved tremendously, but the practical utility of such methods has been limited. This is because such models are trained independently per subject where each subject requires dozens of hours of expensive fMRI training data to attain high-quality results. The present work showcases high-quality reconstructions using only 1 hour of fMRI training data. We pretrain our model across 7 subjects and then fine-tune on minimal data from a new subject. Our novel functional alignment procedure linearly maps all brain data to a shared-subject latent space, followed by a shared non-linear mapping to CLIP image space. We then map from CLIP space to pixel space by fine-tuning Stable Diffusion XL to accept CLIP latents as inputs instead of text. This approach improves out-of-subject generalization with limited training data and also attains state-of-the-art image retrieval and reconstruction metrics compared to single-subject approaches. MindEye2 demonstrates how accurate reconstructions of perception are possible from a single visit to the MRI facility. All code is available on GitHub.

We study the intriguing connection between visual data, deep networks, and the brain. Our method creates a universal channel alignment by using brain voxel fMRI response prediction as the training objective. We discover that deep networks, trained with different objectives, share common feature channels across various models. These channels can be clustered into recurring sets, corresponding to distinct brain regions, indicating the formation of visual concepts. Tracing the clusters of channel responses onto the images, we see semantically meaningful object segments emerge, even without any supervised decoder. Furthermore, the universal feature alignment and the clustering of channels produce a picture and quantification of how visual information is processed through the different network layers, which produces precise comparisons between the networks.

We introduce a modality-agnostic neural compression algorithm based on a functional view of data and parameterised as an Implicit Neural Representation (INR). Bridging the gap between latent coding and sparsity, we obtain compact latent representations non-linearly mapped to a soft gating mechanism. This allows the specialisation of a shared INR network to each data item through subnetwork selection. After obtaining a dataset of such latent representations, we directly optimise the rate/distortion trade-off in a modality-agnostic space using neural compression. Variational Compression of Implicit Neural Representations (VC-INR) shows improved performance given the same representational capacity pre quantisation while also outperforming previous quantisation schemes used for other INR techniques. Our experiments demonstrate strong results over a large set of diverse modalities using the same algorithm without any modality-specific inductive biases. We show results on images, climate data, 3D shapes and scenes as well as audio and video, introducing VC-INR as the first INR-based method to outperform codecs as well-known and diverse as JPEG 2000, MP3 and AVC/HEVC on their respective modalities.

We introduce 3DShape2VecSet, a novel shape representation for neural fields designed for generative diffusion models. Our shape representation can encode 3D shapes given as surface models or point clouds, and represents them as neural fields. The concept of neural fields has previously been combined with a global latent vector, a regular grid of latent vectors, or an irregular grid of latent vectors. Our new representation encodes neural fields on top of a set of vectors. We draw from multiple concepts, such as the radial basis function representation and the cross attention and self-attention function, to design a learnable representation that is especially suitable for processing with transformers. Our results show improved performance in 3D shape encoding and 3D shape generative modeling tasks. We demonstrate a wide variety of generative applications: unconditioned generation, category-conditioned generation, text-conditioned generation, point-cloud completion, and image-conditioned generation.

Despite their remarkable success and deployment across diverse workflows, language models sometimes produce untruthful responses. Our limited understanding of how truthfulness is mechanistically encoded within these models jeopardizes their reliability and safety. In this paper, we propose a method for identifying representations of truthfulness at the neuron level. We show that language models contain truth neurons, which encode truthfulness in a subject-agnostic manner. Experiments conducted across models of varying scales validate the existence of truth neurons, confirming that the encoding of truthfulness at the neuron level is a property shared by many language models. The distribution patterns of truth neurons over layers align with prior findings on the geometry of truthfulness. Selectively suppressing the activations of truth neurons found through the TruthfulQA dataset degrades performance both on TruthfulQA and on other benchmarks, showing that the truthfulness mechanisms are not tied to a specific dataset. Our results offer novel insights into the mechanisms underlying truthfulness in language models and highlight potential directions toward improving their trustworthiness and reliability.

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

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

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

Circuit analysis is a promising technique for understanding the internal mechanisms of language models. However, existing analyses are done in small models far from the state of the art. To address this, we present a case study of circuit analysis in the 70B Chinchilla model, aiming to test the scalability of circuit analysis. In particular, we study multiple-choice question answering, and investigate Chinchilla's capability to identify the correct answer label given knowledge of the correct answer text. We find that the existing techniques of logit attribution, attention pattern visualization, and activation patching naturally scale to Chinchilla, allowing us to identify and categorize a small set of `output nodes' (attention heads and MLPs). We further study the `correct letter' category of attention heads aiming to understand the semantics of their features, with mixed results. For normal multiple-choice question answers, we significantly compress the query, key and value subspaces of the head without loss of performance when operating on the answer labels for multiple-choice questions, and we show that the query and key subspaces represent an `Nth item in an enumeration' feature to at least some extent. However, when we attempt to use this explanation to understand the heads' behaviour on a more general distribution including randomized answer labels, we find that it is only a partial explanation, suggesting there is more to learn about the operation of `correct letter' heads on multiple choice question answering.

Availability of large and diverse medical datasets is often challenged by privacy and data sharing restrictions. For successful application of machine learning techniques for disease diagnosis, prognosis, and precision medicine, large amounts of data are necessary for model building and optimization. To help overcome such limitations in the context of brain MRI, we present NeuroSynth: a collection of generative models of normative regional volumetric features derived from structural brain imaging. NeuroSynth models are trained on real brain imaging regional volumetric measures from the iSTAGING consortium, which encompasses over 40,000 MRI scans across 13 studies, incorporating covariates such as age, sex, and race. Leveraging NeuroSynth, we produce and offer 18,000 synthetic samples spanning the adult lifespan (ages 22-90 years), alongside the model's capability to generate unlimited data. Experimental results indicate that samples generated from NeuroSynth agree with the distributions obtained from real data. Most importantly, the generated normative data significantly enhance the accuracy of downstream machine learning models on tasks such as disease classification. Data and models are available at: https://huggingface.co/spaces/rongguangw/neuro-synth.

Clinical routine and retrospective cohorts commonly include multi-parametric Magnetic Resonance Imaging; however, they are mostly acquired in different anisotropic 2D views due to signal-to-noise-ratio and scan-time constraints. Thus acquired views suffer from poor out-of-plane resolution and affect downstream volumetric image analysis that typically requires isotropic 3D scans. Combining different views of multi-contrast scans into high-resolution isotropic 3D scans is challenging due to the lack of a large training cohort, which calls for a subject-specific framework. This work proposes a novel solution to this problem leveraging Implicit Neural Representations (INR). Our proposed INR jointly learns two different contrasts of complementary views in a continuous spatial function and benefits from exchanging anatomical information between them. Trained within minutes on a single commodity GPU, our model provides realistic super-resolution across different pairs of contrasts in our experiments with three datasets. Using Mutual Information (MI) as a metric, we find that our model converges to an optimum MI amongst sequences, achieving anatomically faithful reconstruction. Code is available at: https://github.com/jqmcginnis/multi_contrast_inr/

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

In this work, we study how well the learned weights of a neural network utilize the space available to them. This notion is related to capacity, but additionally incorporates the interaction of the network architecture with the dataset. Most learned weights appear to be full rank, and are therefore not amenable to low rank decomposition. This deceptively implies that the weights are utilizing the entire space available to them. We propose a simple data-driven transformation that projects the weights onto the subspace where the data and the weight interact. This preserves the functional mapping of the layer and reveals its low rank structure. In our findings, we conclude that most models utilize a fraction of the available space. For instance, for ViTB-16 and ViTL-16 trained on ImageNet, the mean layer utilization is 35% and 20% respectively. Our transformation results in reducing the parameters to 50% and 25% respectively, while resulting in less than 0.2% accuracy drop after fine-tuning. We also show that self-supervised pre-training drives this utilization up to 70%, justifying its suitability for downstream tasks.

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an autoregressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pretrained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

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

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/.

The brain is a noisy system subject to energy constraints. These facts are rarely taken into account when modelling artificial neural networks. In this paper, we are interested in demonstrating that those factors can actually lead to the appearance of robust associative memories. We first propose a simplified model of noise in the brain, taking into account synaptic noise and interference from neurons external to the network. When coarsely quantized, we show that this noise can be reduced to insertions and erasures. We take a neural network with recurrent modifiable connections, and subject it to noisy external inputs. We introduce an energy usage limitation principle in the network as well as consolidated Hebbian learning, resulting in an incremental processing of inputs. We show that the connections naturally formed correspond to state-of-the-art binary sparse associative memories.

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

We present Neural Space-filling Curves (SFCs), a data-driven approach to infer a context-based scan order for a set of images. Linear ordering of pixels forms the basis for many applications such as video scrambling, compression, and auto-regressive models that are used in generative modeling for images. Existing algorithms resort to a fixed scanning algorithm such as Raster scan or Hilbert scan. Instead, our work learns a spatially coherent linear ordering of pixels from the dataset of images using a graph-based neural network. The resulting Neural SFC is optimized for an objective suitable for the downstream task when the image is traversed along with the scan line order. We show the advantage of using Neural SFCs in downstream applications such as image compression. Code and additional results will be made available at https://hywang66.github.io/publication/neuralsfc.

Large Language Models (LLMs) typically have billions of parameters and are thus often difficult to interpret in their operation. Such black-box models can pose a significant risk to safety when trusted to make important decisions. The lack of interpretability of LLMs is more related to their sheer size, rather than the complexity of their individual components. The TARS method for knowledge removal (Davies et al 2024) provides strong evidence for the hypothesis that that linear layer weights which act directly on the residual stream may have high correlation with different concepts encoded in the residual stream. Building upon this, we attempt to decode neuron weights directly into token probabilities through the final projection layer of the model (the LM-head). Firstly, we show that with Llama 3.1 8B we can utilise the LM-head to decode specialised feature neurons that respond strongly to certain concepts, with examples such as "dog" and "California". This is then confirmed by demonstrating that these neurons can be clamped to affect the probability of the concept in the output. This extends to the fine-tuned assistant Llama 3.1 8B instruct model, where we find that over 75% of neurons in the up-projection layers have the same top associated token compared to the pretrained model. Finally, we demonstrate that clamping the "dog" neuron leads the instruct model to always discuss dogs when asked about its favourite animal. Through our method, it is possible to map the entirety of Llama 3.1 8B's up-projection neurons in less than 15 minutes with no parallelization.

We investigate applying audio manipulations using pretrained neural network-based autoencoders as an alternative to traditional signal processing methods, since the former may provide greater semantic or perceptual organization. To establish the potential of this approach, we first establish if representations from these models encode information about manipulations. We carry out experiments and produce visualizations using representations from two different pretrained autoencoders. Our findings indicate that, while some information about audio manipulations is encoded, this information is both limited and encoded in a non-trivial way. This is supported by our attempts to visualize these representations, which demonstrated that trajectories of representations for common manipulations are typically nonlinear and content dependent, even for linear signal manipulations. As a result, it is not yet clear how these pretrained autoencoders can be used to manipulate audio signals, however, our results indicate this may be due to the lack of disentanglement with respect to common audio manipulations.

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

Implicit Neural Representation (INR), leveraging a neural network to transform coordinate input into corresponding attributes, has recently driven significant advances in several vision-related domains. However, the performance of INR is heavily influenced by the choice of the nonlinear activation function used in its multilayer perceptron (MLP) architecture. Multiple nonlinearities have been investigated; yet, current INRs face limitations in capturing high-frequency components, diverse signal types, and handling inverse problems. We have identified that these problems can be greatly alleviated by introducing a paradigm shift in INRs. We find that an architecture with learnable activations in initial layers can represent fine details in the underlying signals. Specifically, we propose SL^{2}A-INR, a hybrid network for INR with a single-layer learnable activation function, prompting the effectiveness of traditional ReLU-based MLPs. Our method performs superior across diverse tasks, including image representation, 3D shape reconstructions, inpainting, single image super-resolution, CT reconstruction, and novel view synthesis. Through comprehensive experiments, SL^{2}A-INR sets new benchmarks in accuracy, quality, and convergence rates for INR.

We present MindEye, a novel fMRI-to-image approach to retrieve and reconstruct viewed images from brain activity. Our model comprises two parallel submodules that are specialized for retrieval (using contrastive learning) and reconstruction (using a diffusion prior). MindEye can map fMRI brain activity to any high dimensional multimodal latent space, like CLIP image space, enabling image reconstruction using generative models that accept embeddings from this latent space. We comprehensively compare our approach with other existing methods, using both qualitative side-by-side comparisons and quantitative evaluations, and show that MindEye achieves state-of-the-art performance in both reconstruction and retrieval tasks. In particular, MindEye can retrieve the exact original image even among highly similar candidates indicating that its brain embeddings retain fine-grained image-specific information. This allows us to accurately retrieve images even from large-scale databases like LAION-5B. We demonstrate through ablations that MindEye's performance improvements over previous methods result from specialized submodules for retrieval and reconstruction, improved training techniques, and training models with orders of magnitude more parameters. Furthermore, we show that MindEye can better preserve low-level image features in the reconstructions by using img2img, with outputs from a separate autoencoder. All code is available on GitHub.

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

The Backpropagation algorithm, widely used to train neural networks, has often been criticised for its lack of biological realism. In an attempt to find a more biologically plausible alternative, and avoid to back-propagate gradients in favour of using local learning rules, the recently introduced Forward-Forward algorithm replaces the traditional forward and backward passes of Backpropagation with two forward passes. In this work, we show that internal representations obtained with the Forward-Forward algorithm organize into robust, category-specific ensembles, composed by an extremely low number of active units (high sparsity). This is remarkably similar to what is observed in cortical representations during sensory processing. While not found in models trained with standard Backpropagation, sparsity emerges also in networks optimized by Backpropagation, on the same training objective of Forward-Forward. These results suggest that the learning procedure proposed by Forward-Forward may be superior to Backpropagation in modelling learning in the cortex, even when a backward pass is used.

Neural field is an emerging paradigm in data representation that trains a neural network to approximate the given signal. A key obstacle that prevents its widespread adoption is the encoding speed-generating neural fields requires an overfitting of a neural network, which can take a significant number of SGD steps to reach the desired fidelity level. In this paper, we delve into the impacts of data transformations on the speed of neural field training, specifically focusing on how permuting pixel locations affect the convergence speed of SGD. Counterintuitively, we find that randomly permuting the pixel locations can considerably accelerate the training. To explain this phenomenon, we examine the neural field training through the lens of PSNR curves, loss landscapes, and error patterns. Our analyses suggest that the random pixel permutations remove the easy-to-fit patterns, which facilitate easy optimization in the early stage but hinder capturing fine details of the signal.

Brain decoding, a pivotal field in neuroscience, aims to reconstruct stimuli from acquired brain signals, primarily utilizing functional magnetic resonance imaging (fMRI). Currently, brain decoding is confined to a per-subject-per-model paradigm, limiting its applicability to the same individual for whom the decoding model is trained. This constraint stems from three key challenges: 1) the inherent variability in input dimensions across subjects due to differences in brain size; 2) the unique intrinsic neural patterns, influencing how different individuals perceive and process sensory information; 3) limited data availability for new subjects in real-world scenarios hampers the performance of decoding models. In this paper, we present a novel approach, MindBridge, that achieves cross-subject brain decoding by employing only one model. Our proposed framework establishes a generic paradigm capable of addressing these challenges by introducing biological-inspired aggregation function and novel cyclic fMRI reconstruction mechanism for subject-invariant representation learning. Notably, by cycle reconstruction of fMRI, MindBridge can enable novel fMRI synthesis, which also can serve as pseudo data augmentation. Within the framework, we also devise a novel reset-tuning method for adapting a pretrained model to a new subject. Experimental results demonstrate MindBridge's ability to reconstruct images for multiple subjects, which is competitive with dedicated subject-specific models. Furthermore, with limited data for a new subject, we achieve a high level of decoding accuracy, surpassing that of subject-specific models. This advancement in cross-subject brain decoding suggests promising directions for wider applications in neuroscience and indicates potential for more efficient utilization of limited fMRI data in real-world scenarios. Project page: https://littlepure2333.github.io/MindBridge

Instruction tuning improves the ability of large language models (LLMs) to follow diverse human instructions, but achieving strong performance on specific target tasks remains challenging. A critical bottleneck is selecting the most relevant data to maximize task-specific performance. Existing data selection approaches include unstable influence-based methods and more stable distribution alignment methods, the latter of which critically rely on the underlying sample representation. In practice, most distribution alignment methods, from shallow features (e.g., BM25) to neural embeddings (e.g., BGE, LLM2Vec), may fail to capture how the model internally processes samples. To bridge this gap, we adopt a model-centric strategy in which each sample is represented by its neuronal activation pattern in the model, directly reflecting internal computation. However, directly using raw neuron activations leads to spurious similarity between unrelated samples due to neuron polysemanticity, where a single neuron may respond to multiple, unrelated concepts. To address this, we employ sparse autoencoders to disentangle polysemantic activations into sparse, monosemantic representations, and introduce a dedicated similarity metric for this space to better identify task-relevant data. Comprehensive experiments across multiple instruction datasets, models, tasks, and selection ratios show that our approach consistently outperforms existing data selection baselines in both stability and task-specific performance.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Pretrained Language Models (PLMs) have become the de facto starting point for fine-tuning on downstream tasks. However, as model sizes continue to increase, traditional fine-tuning of all parameters becomes challenging. To address this, parameter-efficient fine-tuning (PEFT) methods have gained popularity as a means to adapt PLMs effectively. In parallel, recent studies have revealed the presence of activation sparsity within the intermediate outputs of the multilayer perception (MLP) blocks in transformers. Low activation density enables efficient model inference on sparsity-aware hardware. Building upon this insight, in this work, we propose a novel density loss that encourages higher activation sparsity (equivalently, lower activation density) in the pre-trained models. We demonstrate the effectiveness of our approach by utilizing mainstream PEFT techniques including QLoRA, LoRA, Adapter, Prompt/Prefix Tuning to facilitate efficient model adaptation across diverse downstream tasks. Experiments show that our proposed method DEFT, Density-Efficient Fine-Tuning, can reduce the activation density consistently and up to 50.72% on RoBERTa_Large, and 53.19% (encoder density) and 90.60% (decoder density) on Flan-T5_XXL (11B) compared to PEFT using GLUE and QA (SQuAD) benchmarks respectively while maintaining competitive performance on downstream tasks. We also showcase that DEFT works complementary with quantized and pruned models

Attention-based mechanisms are widely used in machine learning, most prominently in transformers. However, hyperparameters such as the rank of the attention matrices and the number of heads are scaled nearly the same way in all realizations of this architecture, without theoretical justification. In this work we show that there are dramatic trade-offs between the rank and number of heads of the attention mechanism. Specifically, we present a simple and natural target function that can be represented using a single full-rank attention head for any context length, but that cannot be approximated by low-rank attention unless the number of heads is exponential in the embedding dimension, even for short context lengths. Moreover, we prove that, for short context lengths, adding depth allows the target to be approximated by low-rank attention. For long contexts, we conjecture that full-rank attention is necessary. Finally, we present experiments with off-the-shelf transformers that validate our theoretical findings.

We propose combining memory saving techniques with traditional U-Net architectures to increase the complexity of the models on the Brain Tumor Segmentation (BraTS) challenge. The BraTS challenge consists of a 3D segmentation of a 240x240x155x4 input image into a set of tumor classes. Because of the large volume and need for 3D convolutional layers, this task is very memory intensive. To address this, prior approaches use smaller cropped images while constraining the model's depth and width. Our 3D U-Net uses a reversible version of the mobile inverted bottleneck block defined in MobileNetV2, MnasNet and the more recent EfficientNet architectures to save activation memory during training. Using reversible layers enables the model to recompute input activations given the outputs of that layer, saving memory by eliminating the need to store activations during the forward pass. The inverted residual bottleneck block uses lightweight depthwise separable convolutions to reduce computation by decomposing convolutions into a pointwise convolution and a depthwise convolution. Further, this block inverts traditional bottleneck blocks by placing an intermediate expansion layer between the input and output linear 1x1 convolution, reducing the total number of channels. Given a fixed memory budget, with these memory saving techniques, we are able to train image volumes up to 3x larger, models with 25% more depth, or models with up to 2x the number of channels than a corresponding non-reversible network.

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.

Neural fields, also known as implicit neural representations (INRs), have shown a remarkable capability of representing, generating, and manipulating various data types, allowing for continuous data reconstruction at a low memory footprint. Though promising, INRs applied to video compression still need to improve their rate-distortion performance by a large margin, and require a huge number of parameters and long training iterations to capture high-frequency details, limiting their wider applicability. Resolving this problem remains a quite challenging task, which would make INRs more accessible in compression tasks. We take a step towards resolving these shortcomings by introducing neural representations for videos NeRV++, an enhanced implicit neural video representation, as more straightforward yet effective enhancement over the original NeRV decoder architecture, featuring separable conv2d residual blocks (SCRBs) that sandwiches the upsampling block (UB), and a bilinear interpolation skip layer for improved feature representation. NeRV++ allows videos to be directly represented as a function approximated by a neural network, and significantly enhance the representation capacity beyond current INR-based video codecs. We evaluate our method on UVG, MCL JVC, and Bunny datasets, achieving competitive results for video compression with INRs. This achievement narrows the gap to autoencoder-based video coding, marking a significant stride in INR-based video compression research.

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

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.

The Transformer architecture processes sequences by implementing a form of neural message-passing that consists of iterative information retrieval (attention), followed by local processing (position-wise MLP). Two types of information are essential under this general computational paradigm: "sensory" information about individual objects, and "relational" information describing the relationships between objects. Standard attention naturally encodes the former, but does not explicitly encode the latter. In this paper, we present an extension of Transformers where multi-head attention is augmented with two distinct types of attention heads, each routing information of a different type. The first type is the standard attention mechanism of Transformers, which captures object-level features, while the second type is a novel attention mechanism we propose to explicitly capture relational information. The two types of attention heads each possess different inductive biases, giving the resulting architecture greater efficiency and versatility. The promise of this approach is demonstrated empirically across a range of tasks.

Neural Architecture Search (NAS) algorithms automate the task of finding optimal deep learning architectures given an initial search space of possible operations. Developing these search spaces is usually a manual affair with pre-optimized search spaces being more efficient, rather than searching from scratch. In this paper we present a new framework called Neural Architecture Type System (NeuralArTS) that categorizes the infinite set of network operations in a structured type system. We further demonstrate how NeuralArTS can be applied to convolutional layers and propose several future directions.

In the past five years, the use of generative and foundational AI systems has greatly improved the decoding of brain activity. Visual perception, in particular, can now be decoded from functional Magnetic Resonance Imaging (fMRI) with remarkable fidelity. This neuroimaging technique, however, suffers from a limited temporal resolution (approx0.5 Hz) and thus fundamentally constrains its real-time usage. Here, we propose an alternative approach based on magnetoencephalography (MEG), a neuroimaging device capable of measuring brain activity with high temporal resolution (approx5,000 Hz). For this, we develop an MEG decoding model trained with both contrastive and regression objectives and consisting of three modules: i) pretrained embeddings obtained from the image, ii) an MEG module trained end-to-end and iii) a pretrained image generator. Our results are threefold: Firstly, our MEG decoder shows a 7X improvement of image-retrieval over classic linear decoders. Second, late brain responses to images are best decoded with DINOv2, a recent foundational image model. Third, image retrievals and generations both suggest that high-level visual features can be decoded from MEG signals, although the same approach applied to 7T fMRI also recovers better low-level features. Overall, these results, while preliminary, provide an important step towards the decoding -- in real-time -- of the visual processes continuously unfolding within the human brain.

Current volumetric biomedical foundation models struggle to generalize as public 3D datasets are small and do not cover the broad diversity of medical procedures, conditions, anatomical regions, and imaging protocols. We address this by creating a representation learning method that instead anticipates strong domain shifts at training time itself. We first propose a data engine that synthesizes highly variable training samples that would enable generalization to new biomedical contexts. To then train a single 3D network for any voxel-level task, we develop a contrastive learning method that pretrains the network to be stable against nuisance imaging variation simulated by the data engine, a key inductive bias for generalization. This network's features can be used as robust representations of input images for downstream tasks and its weights provide a strong, dataset-agnostic initialization for finetuning on new datasets. As a result, we set new standards across both multimodality registration and few-shot segmentation, a first for any 3D biomedical vision model, all without (pre-)training on any existing dataset of real images.

The process of reconstructing experiences from human brain activity offers a unique lens into how the brain interprets and represents the world. In this paper, we introduce a method for reconstructing music from brain activity, captured using functional magnetic resonance imaging (fMRI). Our approach uses either music retrieval or the MusicLM music generation model conditioned on embeddings derived from fMRI data. The generated music resembles the musical stimuli that human subjects experienced, with respect to semantic properties like genre, instrumentation, and mood. We investigate the relationship between different components of MusicLM and brain activity through a voxel-wise encoding modeling analysis. Furthermore, we discuss which brain regions represent information derived from purely textual descriptions of music stimuli. We provide supplementary material including examples of the reconstructed music at https://google-research.github.io/seanet/brain2music

Neural decoding, the process of understanding how brain activity corresponds to different stimuli, has been a primary objective in cognitive sciences. Over the past three decades, advancements in functional Magnetic Resonance Imaging and machine learning have greatly improved our ability to map visual stimuli to brain activity, especially in the visual cortex. Concurrently, research has expanded into decoding more complex processes like language and memory across the whole brain, utilizing techniques to handle greater variability and improve signal accuracy. We argue that "seeing" involves more than just mapping visual stimuli onto the visual cortex; it engages the entire brain, as various emotions and cognitive states can emerge from observing different scenes. In this paper, we develop algorithms to enhance our understanding of visual processes by incorporating whole-brain activation maps while individuals are exposed to visual stimuli. We utilize large-scale fMRI encoders and Image generative models pre-trained on large public datasets, which are then fine-tuned through Image-fMRI contrastive learning. Our models hence can decode visual experience across the entire cerebral cortex, surpassing the traditional confines of the visual cortex. We first compare our method with state-of-the-art approaches to decoding visual processing and show improved predictive semantic accuracy by 43%. A network ablation analysis suggests that beyond the visual cortex, the default mode network contributes most to decoding stimuli, in line with the proposed role of this network in sense-making and semantic processing. Additionally, we implemented zero-shot imagination decoding on an extra validation dataset, achieving a p-value of 0.0206 for mapping the reconstructed images and ground-truth text stimuli, which substantiates the model's capability to capture semantic meanings across various scenarios.

The field of self-supervised learning (SSL) for 3D medical images lacks consistency and standardization. While many methods have been developed, it is impossible to identify the current state-of-the-art, due to i) varying and small pretraining datasets, ii) varying architectures, and iii) being evaluated on differing downstream datasets. In this paper, we bring clarity to this field and lay the foundation for further method advancements through three key contributions: We a) publish the largest publicly available pre-training dataset comprising 114k 3D brain MRI volumes, enabling all practitioners to pre-train on a large-scale dataset. We b) benchmark existing 3D self-supervised learning methods on this dataset for a state-of-the-art CNN and Transformer architecture, clarifying the state of 3D SSL pre-training. Among many findings, we show that pre-trained methods can exceed a strong from-scratch nnU-Net ResEnc-L baseline. Lastly, we c) publish the code of our pre-training and fine-tuning frameworks and provide the pre-trained models created during the benchmarking process to facilitate rapid adoption and reproduction.

Reconstructing 3D visuals from functional Magnetic Resonance Imaging (fMRI) data, introduced as Recon3DMind in our conference work, is of significant interest to both cognitive neuroscience and computer vision. To advance this task, we present the fMRI-3D dataset, which includes data from 15 participants and showcases a total of 4768 3D objects. The dataset comprises two components: fMRI-Shape, previously introduced and accessible at https://huggingface.co/datasets/Fudan-fMRI/fMRI-Shape, and fMRI-Objaverse, proposed in this paper and available at https://huggingface.co/datasets/Fudan-fMRI/fMRI-Objaverse. fMRI-Objaverse includes data from 5 subjects, 4 of whom are also part of the Core set in fMRI-Shape, with each subject viewing 3142 3D objects across 117 categories, all accompanied by text captions. This significantly enhances the diversity and potential applications of the dataset. Additionally, we propose MinD-3D, a novel framework designed to decode 3D visual information from fMRI signals. The framework first extracts and aggregates features from fMRI data using a neuro-fusion encoder, then employs a feature-bridge diffusion model to generate visual features, and finally reconstructs the 3D object using a generative transformer decoder. We establish new benchmarks by designing metrics at both semantic and structural levels to evaluate model performance. Furthermore, we assess our model's effectiveness in an Out-of-Distribution setting and analyze the attribution of the extracted features and the visual ROIs in fMRI signals. Our experiments demonstrate that MinD-3D not only reconstructs 3D objects with high semantic and spatial accuracy but also deepens our understanding of how human brain processes 3D visual information. Project page at: https://jianxgao.github.io/MinD-3D.

Multilayer-perceptrons (MLP) are known to struggle with learning functions of high-frequencies, and in particular cases with wide frequency bands. We present a spatially adaptive progressive encoding (SAPE) scheme for input signals of MLP networks, which enables them to better fit a wide range of frequencies without sacrificing training stability or requiring any domain specific preprocessing. SAPE gradually unmasks signal components with increasing frequencies as a function of time and space. The progressive exposure of frequencies is monitored by a feedback loop throughout the neural optimization process, allowing changes to propagate at different rates among local spatial portions of the signal space. We demonstrate the advantage of SAPE on a variety of domains and applications, including regression of low dimensional signals and images, representation learning of occupancy networks, and a geometric task of mesh transfer between 3D shapes.

Large-scale text-to-image diffusion models excel in generating high-quality images from textual inputs, yet concerns arise as research indicates their tendency to memorize and replicate training data, raising We also addressed the issue of memorization in diffusion models, where models tend to replicate exact training samples raising copyright infringement and privacy issues. Efforts within the text-to-image community to address memorization explore causes such as data duplication, replicated captions, or trigger tokens, proposing per-prompt inference-time or training-time mitigation strategies. In this paper, we focus on the feed-forward layers and begin by contrasting neuron activations of a set of memorized and non-memorized prompts. Experiments reveal a surprising finding: many different sets of memorized prompts significantly activate a common subspace in the model, demonstrating, for the first time, that memorization in the diffusion models lies in a special subspace. Subsequently, we introduce a novel post-hoc method for editing pre-trained models, whereby memorization is mitigated through the straightforward pruning of weights in specialized subspaces, avoiding the need to disrupt the training or inference process as seen in prior research. Finally, we demonstrate the robustness of the pruned model against training data extraction attacks, thereby unveiling new avenues for a practical and one-for-all solution to memorization.

The success of today's large language models (LLMs) depends on the observation that larger models perform better. However, the origin of this neural scaling law -- the finding that loss decreases as a power law with model size -- remains unclear. Starting from two empirical principles -- that LLMs represent more things than the model dimensions (widths) they have (i.e., representations are superposed), and that words or concepts in language occur with varying frequencies -- we constructed a toy model to study the loss scaling with model size. We found that when superposition is weak, meaning only the most frequent features are represented without interference, the scaling of loss with model size depends on the underlying feature frequency; if feature frequencies follow a power law, so does the loss. In contrast, under strong superposition, where all features are represented but overlap with each other, the loss becomes inversely proportional to the model dimension across a wide range of feature frequency distributions. This robust scaling behavior is explained geometrically: when many more vectors are packed into a lower dimensional space, the interference (squared overlaps) between vectors scales inversely with that dimension. We then analyzed four families of open-sourced LLMs and found that they exhibit strong superposition and quantitatively match the predictions of our toy model. The Chinchilla scaling law turned out to also agree with our results. We conclude that representation superposition is an important mechanism underlying the observed neural scaling laws. We anticipate that these insights will inspire new training strategies and model architectures to achieve better performance with less computation and fewer parameters.

Self-Supervised Learning (SSL) presents an exciting opportunity to unlock the potential of vast, untapped clinical datasets, for various downstream applications that suffer from the scarcity of labeled data. While SSL has revolutionized fields like natural language processing and computer vision, its adoption in 3D medical image computing has been limited by three key pitfalls: Small pre-training dataset sizes, architectures inadequate for 3D medical image analysis, and insufficient evaluation practices. In this paper, we address these issues by i) leveraging a large-scale dataset of 39k 3D brain MRI volumes and ii) using a Residual Encoder U-Net architecture within the state-of-the-art nnU-Net framework. iii) A robust development framework, incorporating 5 development and 8 testing brain MRI segmentation datasets, allowed performance-driven design decisions to optimize the simple concept of Masked Auto Encoders (MAEs) for 3D CNNs. The resulting model not only surpasses previous SSL methods but also outperforms the strong nnU-Net baseline by an average of approximately 3 Dice points setting a new state-of-the-art. Our code and models are made available here.

Activation compressed training provides a solution towards reducing the memory cost of training deep neural networks~(DNNs). However, state-of-the-art work combines a search of quantization bit-width with the training, which makes the procedure complicated and less transparent. To this end, we propose a simple and effective method to compress DNN training. Our method is motivated by an instructive observation: DNN backward propagation mainly utilizes the low-frequency component (LFC) of the activation maps, while the majority of memory is for caching the high-frequency component (HFC) during the training. This indicates the HFC of activation maps is highly redundant and compressible during DNN training, which inspires our proposed Dual Activation Precision (DIVISION). During the training, DIVISION preserves the high-precision copy of LFC and compresses the HFC into a light-weight copy with low numerical precision. This can significantly reduce the memory cost without negatively affecting the precision of backward propagation such that DIVISION maintains competitive model accuracy. Experiment results show DIVISION has better comprehensive performance than state-of-the-art methods, including over 10x compression of activation maps and competitive training throughput, without loss of model accuracy.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

Biological systems perceive the world by simultaneously processing high-dimensional inputs from modalities as diverse as vision, audition, touch, proprioception, etc. The perception models used in deep learning on the other hand are designed for individual modalities, often relying on domain-specific assumptions such as the local grid structures exploited by virtually all existing vision models. These priors introduce helpful inductive biases, but also lock models to individual modalities. In this paper we introduce the Perceiver - a model that builds upon Transformers and hence makes few architectural assumptions about the relationship between its inputs, but that also scales to hundreds of thousands of inputs, like ConvNets. The model leverages an asymmetric attention mechanism to iteratively distill inputs into a tight latent bottleneck, allowing it to scale to handle very large inputs. We show that this architecture is competitive with or outperforms strong, specialized models on classification tasks across various modalities: images, point clouds, audio, video, and video+audio. The Perceiver obtains performance comparable to ResNet-50 and ViT on ImageNet without 2D convolutions by directly attending to 50,000 pixels. It is also competitive in all modalities in AudioSet.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Despite their massive size, successful deep artificial neural networks can exhibit a remarkably small difference between training and test performance. Conventional wisdom attributes small generalization error either to properties of the model family, or to the regularization techniques used during training. Through extensive systematic experiments, we show how these traditional approaches fail to explain why large neural networks generalize well in practice. Specifically, our experiments establish that state-of-the-art convolutional networks for image classification trained with stochastic gradient methods easily fit a random labeling of the training data. This phenomenon is qualitatively unaffected by explicit regularization, and occurs even if we replace the true images by completely unstructured random noise. We corroborate these experimental findings with a theoretical construction showing that simple depth two neural networks already have perfect finite sample expressivity as soon as the number of parameters exceeds the number of data points as it usually does in practice. We interpret our experimental findings by comparison with traditional models.

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 present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

We address prevailing challenges of the brain-powered research, departing from the observation that the literature hardly recover accurate spatial information and require subject-specific models. To address these challenges, we propose UMBRAE, a unified multimodal decoding of brain signals. First, to extract instance-level conceptual and spatial details from neural signals, we introduce an efficient universal brain encoder for multimodal-brain alignment and recover object descriptions at multiple levels of granularity from subsequent multimodal large language model (MLLM). Second, we introduce a cross-subject training strategy mapping subject-specific features to a common feature space. This allows a model to be trained on multiple subjects without extra resources, even yielding superior results compared to subject-specific models. Further, we demonstrate this supports weakly-supervised adaptation to new subjects, with only a fraction of the total training data. Experiments demonstrate that UMBRAE not only achieves superior results in the newly introduced tasks but also outperforms methods in well established tasks. To assess our method, we construct and share with the community a comprehensive brain understanding benchmark BrainHub. Our code and benchmark are available at https://weihaox.github.io/UMBRAE.

Despite their powerful chat, coding, and reasoning abilities, Large Language Models (LLMs) frequently hallucinate. Conventional wisdom suggests that hallucinations are a consequence of a balance between creativity and factuality, which can be mitigated, but not eliminated, by grounding the LLM in external knowledge sources. Through extensive systematic experiments, we show that these traditional approaches fail to explain why LLMs hallucinate in practice. Specifically, we show that LLMs augmented with a massive Mixture of Memory Experts (MoME) can easily memorize large datasets of random numbers. We corroborate these experimental findings with a theoretical construction showing that simple neural networks trained to predict the next token hallucinate when the training loss is above a threshold as it usually does in practice when training on internet scale data. We interpret our findings by comparing against traditional retrieval methods for mitigating hallucinations. We use our findings to design a first generation model for removing hallucinations -- Lamini-1 -- that stores facts in a massive mixture of millions of memory experts that are retrieved dynamically.

We prove theoretically that generalization improves not only through data scaling but also by compressing internal representations. To operationalize this insight, we introduce the Information Bottleneck Language Modeling (IBLM) objective, which reframes language modeling as a constrained optimization problem: minimizing representation entropy subject to optimal prediction performance. Empirically, we observe an emergent memorization-compression cycle during LLM pretraining, evidenced by oscillation positive/negative gradient alignment between cross-entropy and Matrix-Based Entropy (MBE), a measure of representation entropy. This pattern closely mirrors the predictive-compressive trade-off prescribed by IBLM and also parallels the biological alternation between awake learning and sleep consolidation. Motivated by this observation, we propose Gated Phase Transition (GAPT), a training algorithm that adaptively switches between memorization and compression phases. When applied to GPT-2 pretraining on FineWeb dataset, GAPT reduces MBE by 50% and improves cross-entropy by 4.8%. GAPT improves OOD generalizatino by 35% in a pretraining task on arithmetic multiplication. In a setting designed to simulate catastrophic forgetting, GAPT reduces interference by compressing and separating representations, achieving a 97% improvement in separation - paralleling the functional role of sleep consolidation.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Large language models (LLMs) with billions of parameters have sparked a new wave of exciting AI applications. However, their high computational costs and memory demands during inference pose significant challenges. Adaptive sparse activation inference, which activates only a small number of neurons for each token, offers a novel way to accelerate model inference without degrading performance, showing great potential for resource-constrained hardware devices. Nevertheless, existing methods predict activated neurons based on individual tokens with additional MLP, which involve frequent changes in activation maps and resource calls, limiting the acceleration benefits of sparse activation. In this paper, we introduce CoreInfer, an MLP-free adaptive sparse activation inference method based on sentence-level prediction. Specifically, we propose the concept of sentence-wise core neurons, which refers to the subset of neurons most critical for a given sentence, and empirically demonstrate its effectiveness. To determine the core neurons, we explore the correlation between core neurons and the sentence's semantics. Remarkably, we discovered that core neurons exhibit both stability and similarity in relation to the sentence's semantics -- an insight overlooked by previous studies. Building on this finding, we further design two semantic-based methods for predicting core neurons to fit different input scenarios. In CoreInfer, the core neurons are determined during the pre-filling stage and fixed during the encoding stage, enabling zero-cost sparse inference. We evaluated the model generalization and task generalization of CoreInfer across various models and tasks. Notably, on an NVIDIA TITAN XP GPU, CoreInfer achieved a 10.33 times and 2.72 times speedup compared to the Huggingface implementation and PowerInfer, respectively.

Deep implicit functions have been found to be an effective tool for efficiently encoding all manner of natural signals. Their attractiveness stems from their ability to compactly represent signals with little to no off-line training data. Instead, they leverage the implicit bias of deep networks to decouple hidden redundancies within the signal. In this paper, we explore the hypothesis that additional compression can be achieved by leveraging the redundancies that exist between layers. We propose to use a novel run-time decoder-only hypernetwork - that uses no offline training data - to better model this cross-layer parameter redundancy. Previous applications of hyper-networks with deep implicit functions have applied feed-forward encoder/decoder frameworks that rely on large offline datasets that do not generalize beyond the signals they were trained on. We instead present a strategy for the initialization of run-time deep implicit functions for single-instance signals through a Decoder-Only randomly projected Hypernetwork (D'OH). By directly changing the dimension of a latent code to approximate a target implicit neural architecture, we provide a natural way to vary the memory footprint of neural representations without the costly need for neural architecture search on a space of alternative low-rate structures.

The growing computational demands of large language models (LLMs) make efficient inference and activation strategies increasingly critical. While recent approaches, such as Mixture-of-Experts (MoE), leverage selective activation but require specialized training, training-free sparse activation methods offer broader applicability and superior resource efficiency through their plug-and-play design. However, many existing methods rely solely on hidden state magnitudes to determine activation, resulting in high approximation errors and suboptimal inference accuracy. To address these limitations, we propose WINA (Weight Informed Neuron Activation), a novel, simple, and training-free sparse activation framework that jointly considers hidden state magnitudes and the column-wise ell_2-norms of weight matrices. We show that this leads to a sparsification strategy that obtains optimal approximation error bounds with theoretical guarantees tighter than existing techniques. Empirically, WINA also outperforms state-of-the-art methods (e.g., TEAL) by up to 2.94% in average performance at the same sparsity levels, across a diverse set of LLM architectures and datasets. These results position WINA as a new performance frontier for training-free sparse activation in LLM inference, advancing training-free sparse activation methods and setting a robust baseline for efficient inference. The source code is available at https://github.com/microsoft/wina.

We study neural image compression based on the Sparse Visual Representation (SVR), where images are embedded into a discrete latent space spanned by learned visual codebooks. By sharing codebooks with the decoder, the encoder transfers integer codeword indices that are efficient and cross-platform robust, and the decoder retrieves the embedded latent feature using the indices for reconstruction. Previous SVR-based compression lacks effective mechanism for rate-distortion tradeoffs, where one can only pursue either high reconstruction quality or low transmission bitrate. We propose a Masked Adaptive Codebook learning (M-AdaCode) method that applies masks to the latent feature subspace to balance bitrate and reconstruction quality. A set of semantic-class-dependent basis codebooks are learned, which are weighted combined to generate a rich latent feature for high-quality reconstruction. The combining weights are adaptively derived from each input image, providing fidelity information with additional transmission costs. By masking out unimportant weights in the encoder and recovering them in the decoder, we can trade off reconstruction quality for transmission bits, and the masking rate controls the balance between bitrate and distortion. Experiments over the standard JPEG-AI dataset demonstrate the effectiveness of our M-AdaCode approach.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in Wang et al. (2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to 'repair' the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

Multi-head attention layers, as used in the Transformer neural sequence model, are a powerful alternative to RNNs for moving information across and between sequences. While training these layers is generally fast and simple, due to parallelizability across the length of the sequence, incremental inference (where such paralleization is impossible) is often slow, due to the memory-bandwidth cost of repeatedly loading the large "keys" and "values" tensors. We propose a variant called multi-query attention, where the keys and values are shared across all of the different attention "heads", greatly reducing the size of these tensors and hence the memory bandwidth requirements of incremental decoding. We verify experimentally that the resulting models can indeed be much faster to decode, and incur only minor quality degradation from the baseline.

Learning arguably involves the discovery and memorization of abstract rules. The aim of this paper is to study associative memory mechanisms. Our model is based on high-dimensional matrices consisting of outer products of embeddings, which relates to the inner layers of transformer language models. We derive precise scaling laws with respect to sample size and parameter size, and discuss the statistical efficiency of different estimators, including optimization-based algorithms. We provide extensive numerical experiments to validate and interpret theoretical results, including fine-grained visualizations of the stored memory associations.

Driven by the appealing properties of neural fields for storing and communicating 3D data, the problem of directly processing them to address tasks such as classification and part segmentation has emerged and has been investigated in recent works. Early approaches employ neural fields parameterized by shared networks trained on the whole dataset, achieving good task performance but sacrificing reconstruction quality. To improve the latter, later methods focus on individual neural fields parameterized as large Multi-Layer Perceptrons (MLPs), which are, however, challenging to process due to the high dimensionality of the weight space, intrinsic weight space symmetries, and sensitivity to random initialization. Hence, results turn out significantly inferior to those achieved by processing explicit representations, e.g., point clouds or meshes. In the meantime, hybrid representations, in particular based on tri-planes, have emerged as a more effective and efficient alternative to realize neural fields, but their direct processing has not been investigated yet. In this paper, we show that the tri-plane discrete data structure encodes rich information, which can be effectively processed by standard deep-learning machinery. We define an extensive benchmark covering a diverse set of fields such as occupancy, signed/unsigned distance, and, for the first time, radiance fields. While processing a field with the same reconstruction quality, we achieve task performance far superior to frameworks that process large MLPs and, for the first time, almost on par with architectures handling explicit representations.

Despite the recent progress in long-context language models, it remains elusive how transformer-based models exhibit the capability to retrieve relevant information from arbitrary locations within the long context. This paper aims to address this question. Our systematic investigation across a wide spectrum of models reveals that a special type of attention heads are largely responsible for retrieving information, which we dub retrieval heads. We identify intriguing properties of retrieval heads:(1) universal: all the explored models with long-context capability have a set of retrieval heads; (2) sparse: only a small portion (less than 5\%) of the attention heads are retrieval. (3) intrinsic: retrieval heads already exist in models pretrained with short context. When extending the context length by continual pretraining, it is still the same set of heads that perform information retrieval. (4) dynamically activated: take Llama-2 7B for example, 12 retrieval heads always attend to the required information no matter how the context is changed. The rest of the retrieval heads are activated in different contexts. (5) causal: completely pruning retrieval heads leads to failure in retrieving relevant information and results in hallucination, while pruning random non-retrieval heads does not affect the model's retrieval ability. We further show that retrieval heads strongly influence chain-of-thought (CoT) reasoning, where the model needs to frequently refer back the question and previously-generated context. Conversely, tasks where the model directly generates the answer using its intrinsic knowledge are less impacted by masking out retrieval heads. These observations collectively explain which internal part of the model seeks information from the input tokens. We believe our insights will foster future research on reducing hallucination, improving reasoning, and compressing the KV cache.

Memory layers use a trainable key-value lookup mechanism to add extra parameters to a model without increasing FLOPs. Conceptually, sparsely activated memory layers complement compute-heavy dense feed-forward layers, providing dedicated capacity to store and retrieve information cheaply. This work takes memory layers beyond proof-of-concept, proving their utility at contemporary scale. On downstream tasks, language models augmented with our improved memory layer outperform dense models with more than twice the computation budget, as well as mixture-of-expert models when matched for both compute and parameters. We find gains are especially pronounced for factual tasks. We provide a fully parallelizable memory layer implementation, demonstrating scaling laws with up to 128B memory parameters, pretrained to 1 trillion tokens, comparing to base models with up to 8B parameters.

Much of the excitement in modern AI is driven by the observation that scaling up existing systems leads to better performance. But does better performance necessarily imply better internal representations? While the representational optimist assumes it must, this position paper challenges that view. We compare neural networks evolved through an open-ended search process to networks trained via conventional stochastic gradient descent (SGD) on the simple task of generating a single image. This minimal setup offers a unique advantage: each hidden neuron's full functional behavior can be easily visualized as an image, thus revealing how the network's output behavior is internally constructed neuron by neuron. The result is striking: while both networks produce the same output behavior, their internal representations differ dramatically. The SGD-trained networks exhibit a form of disorganization that we term fractured entangled representation (FER). Interestingly, the evolved networks largely lack FER, even approaching a unified factored representation (UFR). In large models, FER may be degrading core model capacities like generalization, creativity, and (continual) learning. Therefore, understanding and mitigating FER could be critical to the future of representation learning.

Large Language Models (LLMs) have been shown to be effective models of the human language system, with some models predicting most explainable variance of brain activity in current datasets. Even in untrained models, the representations induced by architectural priors can exhibit reasonable alignment to brain data. In this work, we investigate the key architectural components driving the surprising alignment of untrained models. To estimate LLM-to-brain similarity, we first select language-selective units within an LLM, similar to how neuroscientists identify the language network in the human brain. We then benchmark the brain alignment of these LLM units across five different brain recording datasets. By isolating critical components of the Transformer architecture, we identify tokenization strategy and multihead attention as the two major components driving brain alignment. A simple form of recurrence further improves alignment. We further demonstrate this quantitative brain alignment of our model by reproducing landmark studies in the language neuroscience field, showing that localized model units -- just like language voxels measured empirically in the human brain -- discriminate more reliably between lexical than syntactic differences, and exhibit similar response profiles under the same experimental conditions. Finally, we demonstrate the utility of our model's representations for language modeling, achieving improved sample and parameter efficiency over comparable architectures. Our model's estimates of surprisal sets a new state-of-the-art in the behavioral alignment to human reading times. Taken together, we propose a highly brain- and behaviorally-aligned model that conceptualizes the human language system as an untrained shallow feature encoder, with structural priors, combined with a trained decoder to achieve efficient and performant language processing.

Large language models based on transformers have achieved great empirical successes. However, as they are deployed more widely, there is a growing need to better understand their internal mechanisms in order to make them more reliable. These models appear to store vast amounts of knowledge from their training data, and to adapt quickly to new information provided in their context or prompt. We study how transformers balance these two types of knowledge by considering a synthetic setup where tokens are generated from either global or context-specific bigram distributions. By a careful empirical analysis of the training process on a simplified two-layer transformer, we illustrate the fast learning of global bigrams and the slower development of an "induction head" mechanism for the in-context bigrams. We highlight the role of weight matrices as associative memories, provide theoretical insights on how gradients enable their learning during training, and study the role of data-distributional properties.

Self-attention mechanism is the key of the Transformer but often criticized for its computation demands. Previous token pruning works motivate their methods from the view of computation redundancy but still need to load the full network and require same memory costs. This paper introduces a novel strategy that simplifies vision transformers and reduces computational load through the selective removal of non-essential attention layers, guided by entropy considerations. We identify that regarding the attention layer in bottom blocks, their subsequent MLP layers, i.e. two feed-forward layers, can elicit the same entropy quantity. Meanwhile, the accompanied MLPs are under-exploited since they exhibit smaller feature entropy compared to those MLPs in the top blocks. Therefore, we propose to integrate the uninformative attention layers into their subsequent counterparts by degenerating them into identical mapping, yielding only MLP in certain transformer blocks. Experimental results on ImageNet-1k show that the proposed method can remove 40% attention layer of DeiT-B, improving throughput and memory bound without performance compromise. Code is available at https://github.com/sihaoevery/lambda_vit.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

This paper introduces a network for volumetric segmentation that learns from sparsely annotated volumetric images. We outline two attractive use cases of this method: (1) In a semi-automated setup, the user annotates some slices in the volume to be segmented. The network learns from these sparse annotations and provides a dense 3D segmentation. (2) In a fully-automated setup, we assume that a representative, sparsely annotated training set exists. Trained on this data set, the network densely segments new volumetric images. The proposed network extends the previous u-net architecture from Ronneberger et al. by replacing all 2D operations with their 3D counterparts. The implementation performs on-the-fly elastic deformations for efficient data augmentation during training. It is trained end-to-end from scratch, i.e., no pre-trained network is required. We test the performance of the proposed method on a complex, highly variable 3D structure, the Xenopus kidney, and achieve good results for both use cases.

Implicit Neural Representations (INRs) are a novel paradigm for signal representation that have attracted considerable interest for image compression. INRs offer unprecedented advantages in signal resolution and memory efficiency, enabling new possibilities for compression techniques. However, the existing limitations of INRs for image compression have not been sufficiently addressed in the literature. In this work, we explore the critical yet overlooked limiting factors of INRs, such as computational cost, unstable performance, and robustness. Through extensive experiments and empirical analysis, we provide a deeper and more nuanced understanding of implicit neural image compression methods such as Fourier Feature Networks and Siren. Our work also offers valuable insights for future research in this area.

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.

Increasing the number of parameters in language models is a common strategy to enhance their performance. However, smaller language models remain valuable due to their lower operational costs. Despite their advantages, smaller models frequently underperform compared to their larger counterparts, even when provided with equivalent data and computational resources. Specifically, their performance tends to degrade in the late pretraining phase. This is anecdotally attributed to their reduced representational capacity. Yet, the exact causes of this performance degradation remain unclear. We use the Pythia model suite to analyse the training dynamics that underlie this phenomenon. Across different model sizes, we investigate the convergence of the Attention and MLP activations to their final state and examine how the effective rank of their parameters influences this process. We find that nearly all layers in larger models stabilise early in training - within the first 20% - whereas layers in smaller models exhibit slower and less stable convergence, especially when their parameters have lower effective rank. By linking the convergence of layers' activations to their parameters' effective rank, our analyses can guide future work to address inefficiencies in the learning dynamics of small models.

Attention-free language models that combine gating and convolutions are growing in popularity due to their efficiency and increasingly competitive performance. To better understand these architectures, we pretrain a suite of 17 attention and "gated-convolution" language models, finding that SoTA gated-convolution architectures still underperform attention by up to 2.1 perplexity points on the Pile. In fine-grained analysis, we find 82% of the gap is explained by each model's ability to recall information that is previously mentioned in-context, e.g. "Hakuna Matata means no worries Hakuna Matata it means no" rightarrow "??". On this task, termed "associative recall", we find that attention outperforms gated-convolutions by a large margin: a 70M parameter attention model outperforms a 1.4 billion parameter gated-convolution model on associative recall. This is surprising because prior work shows gated convolutions can perfectly solve synthetic tests for AR capability. To close the gap between synthetics and real language, we develop a new formalization of the task called multi-query associative recall (MQAR) that better reflects actual language. We perform an empirical and theoretical study of MQAR that elucidates differences in the parameter-efficiency of attention and gated-convolution recall. Informed by our analysis, we evaluate simple convolution-attention hybrids and show that hybrids with input-dependent sparse attention patterns can close 97.4% of the gap to attention, while maintaining sub-quadratic scaling. Our code is accessible at: https://github.com/HazyResearch/zoology.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

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.

Deep networks are increasingly being applied to problems involving image synthesis, e.g., generating images from textual descriptions and reconstructing an input image from a compact representation. Supervised training of image-synthesis networks typically uses a pixel-wise loss (PL) to indicate the mismatch between a generated image and its corresponding target image. We propose instead to use a loss function that is better calibrated to human perceptual judgments of image quality: the multiscale structural-similarity score (MS-SSIM). Because MS-SSIM is differentiable, it is easily incorporated into gradient-descent learning. We compare the consequences of using MS-SSIM versus PL loss on training deterministic and stochastic autoencoders. For three different architectures, we collected human judgments of the quality of image reconstructions. Observers reliably prefer images synthesized by MS-SSIM-optimized models over those synthesized by PL-optimized models, for two distinct PL measures (ell_1 and ell_2 distances). We also explore the effect of training objective on image encoding and analyze conditions under which perceptually-optimized representations yield better performance on image classification. Finally, we demonstrate the superiority of perceptually-optimized networks for super-resolution imaging. Just as computer vision has advanced through the use of convolutional architectures that mimic the structure of the mammalian visual system, we argue that significant additional advances can be made in modeling images through the use of training objectives that are well aligned to characteristics of human perception.

Efficient deployment of Large Language Models (LLMs) requires batching multiple requests together to improve throughput. As the batch size, context length, or model size increases, the size of the key and value (KV) cache can quickly become the main contributor to GPU memory usage and the bottleneck of inference latency. Quantization has emerged as an effective technique for KV cache compression, but existing methods still fail at very low bit widths. We observe that distinct channels of a key/value activation embedding are highly inter-dependent, and the joint entropy of multiple channels grows at a slower rate than the sum of their marginal entropies. Based on this insight, we propose Coupled Quantization (CQ), which couples multiple key/value channels together to exploit their inter-dependency and encode the activations in a more information-efficient manner. Extensive experiments reveal that CQ outperforms or is competitive with existing baselines in preserving model quality. Furthermore, we demonstrate that CQ can preserve model quality with KV cache quantized down to 1-bit.

Language models have been successfully used to model natural signals, such as images, speech, and music. A key component of these models is a high quality neural compression model that can compress high-dimensional natural signals into lower dimensional discrete tokens. To that end, we introduce a high-fidelity universal neural audio compression algorithm that achieves ~90x compression of 44.1 KHz audio into tokens at just 8kbps bandwidth. We achieve this by combining advances in high-fidelity audio generation with better vector quantization techniques from the image domain, along with improved adversarial and reconstruction losses. We compress all domains (speech, environment, music, etc.) with a single universal model, making it widely applicable to generative modeling of all audio. We compare with competing audio compression algorithms, and find our method outperforms them significantly. We provide thorough ablations for every design choice, as well as open-source code and trained model weights. We hope our work can lay the foundation for the next generation of high-fidelity audio modeling.

Growing evidence indicates that only a sparse subset from a pool of sensory neurons is active for the encoding of visual stimuli at any instant in time. Traditionally, to replicate such biological sparsity, generative models have been using the ell_1 norm as a penalty due to its convexity, which makes it amenable to fast and simple algorithmic solvers. In this work, we use biological vision as a test-bed and show that the soft thresholding operation associated to the use of the ell_1 norm is highly suboptimal compared to other functions suited to approximating ell_q with 0 leq q < 1 (including recently proposed Continuous Exact relaxations), both in terms of performance and in the production of features that are akin to signatures of the primary visual cortex. We show that ell_1 sparsity produces a denser code or employs a pool with more neurons, i.e. has a higher degree of overcompleteness, in order to maintain the same reconstruction error as the other methods considered. For all the penalty functions tested, a subset of the neurons develop orientation selectivity similarly to V1 neurons. When their code is sparse enough, the methods also develop receptive fields with varying functionalities, another signature of V1. Compared to other methods, soft thresholding achieves this level of sparsity at the expense of much degraded reconstruction performance, that more likely than not is not acceptable in biological vision. Our results indicate that V1 uses a sparsity inducing regularization that is closer to the ell_0 pseudo-norm rather than to the ell_1 norm.

We show how bidirectional transformers trained for masked token prediction can be applied to neural image compression to achieve state-of-the-art results. Such models were previously used for image generation by progressivly sampling groups of masked tokens according to uncertainty-adaptive schedules. Unlike these works, we demonstrate that predefined, deterministic schedules perform as well or better for image compression. This insight allows us to use masked attention during training in addition to masked inputs, and activation caching during inference, to significantly speed up our models (~4 higher inference speed) at a small increase in bitrate.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

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.

This paper introduces the sparse modular addition task and examines how transformers learn it. We focus on transformers with embeddings in R^2 and introduce a visual sandbox that provides comprehensive visualizations of each layer throughout the training process. We reveal a type of circuit, called "clustering heads," which learns the problem's invariants. We analyze the training dynamics of these circuits, highlighting two-stage learning, loss spikes due to high curvature or normalization layers, and the effects of initialization and curriculum learning.

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in various LLM architectures, including Transformers and State Space Models (SSMs). We find that intermediate layers often yield more informative representations for downstream tasks than the final layers. To measure the representation quality, we adapt and apply a suite of metrics - such as prompt entropy, curvature, and augmentation-invariance - originally proposed in other contexts. Our empirical study reveals significant architectural differences, how representations evolve throughout training, and how factors like input randomness and prompt length affect each layer. Notably, we observe a bimodal pattern in the entropy of some intermediate layers and consider potential explanations tied to training data. Overall, our results illuminate the internal mechanics of LLMs and guide strategies for architectural optimization and training.

Accurate predictive models of the visual cortex neural response to natural visual stimuli remain a challenge in computational neuroscience. In this work, we introduce V1T, a novel Vision Transformer based architecture that learns a shared visual and behavioral representation across animals. We evaluate our model on two large datasets recorded from mouse primary visual cortex and outperform previous convolution-based models by more than 12.7% in prediction performance. Moreover, we show that the self-attention weights learned by the Transformer correlate with the population receptive fields. Our model thus sets a new benchmark for neural response prediction and can be used jointly with behavioral and neural recordings to reveal meaningful characteristic features of the visual cortex.

Brain-to-image decoding has been recently propelled by the progress in generative AI models and the availability of large ultra-high field functional Magnetic Resonance Imaging (fMRI). However, current approaches depend on complicated multi-stage pipelines and preprocessing steps that typically collapse the temporal dimension of brain recordings, thereby limiting time-resolved brain decoders. Here, we introduce Dynadiff (Dynamic Neural Activity Diffusion for Image Reconstruction), a new single-stage diffusion model designed for reconstructing images from dynamically evolving fMRI recordings. Our approach offers three main contributions. First, Dynadiff simplifies training as compared to existing approaches. Second, our model outperforms state-of-the-art models on time-resolved fMRI signals, especially on high-level semantic image reconstruction metrics, while remaining competitive on preprocessed fMRI data that collapse time. Third, this approach allows a precise characterization of the evolution of image representations in brain activity. Overall, this work lays the foundation for time-resolved brain-to-image decoding.

Implicit Neural Representations (INR) or neural fields have emerged as a popular framework to encode multimedia signals such as images and radiance fields while retaining high-quality. Recently, learnable feature grids proposed by Instant-NGP have allowed significant speed-up in the training as well as the sampling of INRs by replacing a large neural network with a multi-resolution look-up table of feature vectors and a much smaller neural network. However, these feature grids come at the expense of large memory consumption which can be a bottleneck for storage and streaming applications. In this work, we propose SHACIRA, a simple yet effective task-agnostic framework for compressing such feature grids with no additional post-hoc pruning/quantization stages. We reparameterize feature grids with quantized latent weights and apply entropy regularization in the latent space to achieve high levels of compression across various domains. Quantitative and qualitative results on diverse datasets consisting of images, videos, and radiance fields, show that our approach outperforms existing INR approaches without the need for any large datasets or domain-specific heuristics. Our project page is available at http://shacira.github.io .

Motivated by the hypothesis that neural network representations encode abstract, interpretable features as linearly accessible, approximately orthogonal directions, sparse autoencoders (SAEs) have become a popular tool in interpretability. However, recent work has demonstrated phenomenology of model representations that lies outside the scope of this hypothesis, showing signatures of hierarchical, nonlinear, and multi-dimensional features. This raises the question: do SAEs represent features that possess structure at odds with their motivating hypothesis? If not, does avoiding this mismatch help identify said features and gain further insights into neural network representations? To answer these questions, we take a construction-based approach and re-contextualize the popular matching pursuits (MP) algorithm from sparse coding to design MP-SAE -- an SAE that unrolls its encoder into a sequence of residual-guided steps, allowing it to capture hierarchical and nonlinearly accessible features. Comparing this architecture with existing SAEs on a mixture of synthetic and natural data settings, we show: (i) hierarchical concepts induce conditionally orthogonal features, which existing SAEs are unable to faithfully capture, and (ii) the nonlinear encoding step of MP-SAE recovers highly meaningful features, helping us unravel shared structure in the seemingly dichotomous representation spaces of different modalities in a vision-language model, hence demonstrating the assumption that useful features are solely linearly accessible is insufficient. We also show that the sequential encoder principle of MP-SAE affords an additional benefit of adaptive sparsity at inference time, which may be of independent interest. Overall, we argue our results provide credence to the idea that interpretability should begin with the phenomenology of representations, with methods emerging from assumptions that fit it.

Recent studies in interpretability have explored the inner workings of transformer models trained on tasks across various domains, often discovering that these networks naturally develop highly structured representations. When such representations comprehensively reflect the task domain's structure, they are commonly referred to as "World Models" (WMs). In this work, we identify WMs in transformers trained on maze-solving tasks. By using Sparse Autoencoders (SAEs) and analyzing attention patterns, we examine the construction of WMs and demonstrate consistency between SAE feature-based and circuit-based analyses. By subsequently intervening on isolated features to confirm their causal role, we find that it is easier to activate features than to suppress them. Furthermore, we find that models can reason about mazes involving more simultaneously active features than they encountered during training; however, when these same mazes (with greater numbers of connections) are provided to models via input tokens instead, the models fail. Finally, we demonstrate that positional encoding schemes appear to influence how World Models are structured within the model's residual stream.

We introduce HiDiffusion, a tuning-free framework comprised of Resolution-Aware U-Net (RAU-Net) and Modified Shifted Window Multi-head Self-Attention (MSW-MSA) to enable pretrained large text-to-image diffusion models to efficiently generate high-resolution images (e.g. 1024times1024) that surpass the training image resolution. Pretrained diffusion models encounter unreasonable object duplication in generating images beyond the training image resolution. We attribute it to the mismatch between the feature map size of high-resolution images and the receptive field of U-Net's convolution. To address this issue, we propose a simple yet scalable method named RAU-Net. RAU-Net dynamically adjusts the feature map size to match the convolution's receptive field in the deep block of U-Net. Another obstacle in high-resolution synthesis is the slow inference speed of U-Net. Our observations reveal that the global self-attention in the top block, which exhibits locality, however, consumes the majority of computational resources. To tackle this issue, we propose MSW-MSA. Unlike previous window attention mechanisms, our method uses a much larger window size and dynamically shifts windows to better accommodate diffusion models. Extensive experiments demonstrate that our HiDiffusion can scale diffusion models to generate 1024times1024, 2048times2048, or even 4096times4096 resolution images, while simultaneously reducing inference time by 40\%-60\%, achieving state-of-the-art performance on high-resolution image synthesis. The most significant revelation of our work is that a pretrained diffusion model on low-resolution images is scalable for high-resolution generation without further tuning. We hope this revelation can provide insights for future research on the scalability of diffusion models.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

We propose a new representation for encoding 3D shapes as neural fields. The representation is designed to be compatible with the transformer architecture and to benefit both shape reconstruction and shape generation. Existing works on neural fields are grid-based representations with latents defined on a regular grid. In contrast, we define latents on irregular grids, enabling our representation to be sparse and adaptive. In the context of shape reconstruction from point clouds, our shape representation built on irregular grids improves upon grid-based methods in terms of reconstruction accuracy. For shape generation, our representation promotes high-quality shape generation using auto-regressive probabilistic models. We show different applications that improve over the current state of the art. First, we show results for probabilistic shape reconstruction from a single higher resolution image. Second, we train a probabilistic model conditioned on very low resolution images. Third, we apply our model to category-conditioned generation. All probabilistic experiments confirm that we are able to generate detailed and high quality shapes to yield the new state of the art in generative 3D shape modeling.

While Attention has come to be an important mechanism in deep learning, there remains limited intuition for why it works so well. Here, we show that Transformer Attention can be closely related under certain data conditions to Kanerva's Sparse Distributed Memory (SDM), a biologically plausible associative memory model. We confirm that these conditions are satisfied in pre-trained GPT2 Transformer models. We discuss the implications of the Attention-SDM map and provide new computational and biological interpretations of Attention.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

We introduce UniToken, an auto-regressive generation model that encodes visual inputs through a combination of discrete and continuous representations, enabling seamless integration of unified visual understanding and image generation tasks. Unlike previous approaches that rely on unilateral visual representations, our unified visual encoding framework captures both high-level semantics and low-level details, delivering multidimensional information that empowers heterogeneous tasks to selectively assimilate domain-specific knowledge based on their inherent characteristics. Through in-depth experiments, we uncover key principles for developing a unified model capable of both visual understanding and image generation. Extensive evaluations across a diverse range of prominent benchmarks demonstrate that UniToken achieves state-of-the-art performance, surpassing existing approaches. These results establish UniToken as a robust foundation for future research in this domain. The code and models are available at https://github.com/SxJyJay/UniToken.

Despite their impressive capabilities, multimodal large language models (MLLMs) are prone to hallucinations, i.e., the generated content that is nonsensical or unfaithful to input sources. Unlike in LLMs, hallucinations in MLLMs often stem from the sensitivity of text decoder to visual tokens, leading to a phenomenon akin to "amnesia" about visual information. To address this issue, we propose MemVR, a novel decoding paradigm inspired by common cognition: when the memory of an image seen the moment before is forgotten, people will look at it again for factual answers. Following this principle, we treat visual tokens as supplementary evidence, re-injecting them into the MLLM through Feed Forward Network (FFN) as "key-value memory" at the middle trigger layer. This "look-twice" mechanism occurs when the model exhibits high uncertainty during inference, effectively enhancing factual alignment. Comprehensive experimental evaluations demonstrate that MemVR significantly mitigates hallucination across various MLLMs and excels in general benchmarks without incurring additional time overhead. The implementation is available from https://github.com/1zhou-Wang/MemVR

Input space reconstruction is an attractive representation learning paradigm. Despite interpretability of the reconstruction and generation, we identify a misalignment between learning by reconstruction, and learning for perception. We show that the former allocates a model's capacity towards a subspace of the data explaining the observed variance--a subspace with uninformative features for the latter. For example, the supervised TinyImagenet task with images projected onto the top subspace explaining 90\% of the pixel variance can be solved with 45\% test accuracy. Using the bottom subspace instead, accounting for only 20\% of the pixel variance, reaches 55\% test accuracy. The features for perception being learned last explains the need for long training time, e.g., with Masked Autoencoders. Learning by denoising is a popular strategy to alleviate that misalignment. We prove that while some noise strategies such as masking are indeed beneficial, others such as additive Gaussian noise are not. Yet, even in the case of masking, we find that the benefits vary as a function of the mask's shape, ratio, and the considered dataset. While tuning the noise strategy without knowledge of the perception task seems challenging, we provide first clues on how to detect if a noise strategy is never beneficial regardless of the perception task.

The Linear Representation Hypothesis (LRH) states that neural networks learn to encode concepts as directions in activation space, and a strong version of the LRH states that models learn only such encodings. In this paper, we present a counterexample to this strong LRH: when trained to repeat an input token sequence, gated recurrent neural networks (RNNs) learn to represent the token at each position with a particular order of magnitude, rather than a direction. These representations have layered features that are impossible to locate in distinct linear subspaces. To show this, we train interventions to predict and manipulate tokens by learning the scaling factor corresponding to each sequence position. These interventions indicate that the smallest RNNs find only this magnitude-based solution, while larger RNNs have linear representations. These findings strongly indicate that interpretability research should not be confined by the LRH.

Autoencoders are a popular model in many branches of machine learning and lossy data compression. However, their fundamental limits, the performance of gradient methods and the features learnt during optimization remain poorly understood, even in the two-layer setting. In fact, earlier work has considered either linear autoencoders or specific training regimes (leading to vanishing or diverging compression rates). Our paper addresses this gap by focusing on non-linear two-layer autoencoders trained in the challenging proportional regime in which the input dimension scales linearly with the size of the representation. Our results characterize the minimizers of the population risk, and show that such minimizers are achieved by gradient methods; their structure is also unveiled, thus leading to a concise description of the features obtained via training. For the special case of a sign activation function, our analysis establishes the fundamental limits for the lossy compression of Gaussian sources via (shallow) autoencoders. Finally, while the results are proved for Gaussian data, numerical simulations on standard datasets display the universality of the theoretical predictions.

The availability of unprecedented unsupervised training data, along with neural scaling laws, has resulted in an unprecedented surge in model size and compute requirements for serving/training LLMs. However, the main performance bottleneck is increasingly shifting to memory bandwidth. Over the past 20 years, peak server hardware FLOPS has been scaling at 3.0x/2yrs, outpacing the growth of DRAM and interconnect bandwidth, which have only scaled at 1.6 and 1.4 times every 2 years, respectively. This disparity has made memory, rather than compute, the primary bottleneck in AI applications, particularly in serving. Here, we analyze encoder and decoder Transformer models and show how memory bandwidth can become the dominant bottleneck for decoder models. We argue for a redesign in model architecture, training, and deployment strategies to overcome this memory limitation.

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

The central building block of convolutional neural networks (CNNs) is the convolution operator, which enables networks to construct informative features by fusing both spatial and channel-wise information within local receptive fields at each layer. A broad range of prior research has investigated the spatial component of this relationship, seeking to strengthen the representational power of a CNN by enhancing the quality of spatial encodings throughout its feature hierarchy. In this work, we focus instead on the channel relationship and propose a novel architectural unit, which we term the "Squeeze-and-Excitation" (SE) block, that adaptively recalibrates channel-wise feature responses by explicitly modelling interdependencies between channels. We show that these blocks can be stacked together to form SENet architectures that generalise extremely effectively across different datasets. We further demonstrate that SE blocks bring significant improvements in performance for existing state-of-the-art CNNs at slight additional computational cost. Squeeze-and-Excitation Networks formed the foundation of our ILSVRC 2017 classification submission which won first place and reduced the top-5 error to 2.251%, surpassing the winning entry of 2016 by a relative improvement of ~25%. Models and code are available at https://github.com/hujie-frank/SENet.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size -- adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations -- we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

In this study, we investigate whether attention-based information flow inside large language models (LLMs) is aggregated through noticeable patterns for long context processing. Our observations reveal that LLMs aggregate information through Pyramidal Information Funneling where attention is scattering widely in lower layers, progressively consolidating within specific contexts, and ultimately focusin on critical tokens (a.k.a massive activation or attention sink) in higher layers. Motivated by these insights, we developed PyramidKV, a novel and effective KV cache compression method. This approach dynamically adjusts the KV cache size across different layers, allocating more cache in lower layers and less in higher ones, diverging from traditional methods that maintain a uniform KV cache size. Our experimental evaluations, utilizing the LongBench benchmark, show that PyramidKV matches the performance of models with a full KV cache while retaining only 12% of the KV cache, thus significantly reducing memory usage. In scenarios emphasizing memory efficiency, where only 0.7% of the KV cache is maintained, PyramidKV surpasses other KV cache compression techniques achieving up to a 20.5 absolute accuracy improvement on TREC.

We introduce a hierarchical filtering procedure for generative models of sequences on trees, enabling control over the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformer architectures can implement the optimal Belief Propagation algorithm on both root classification and masked language modeling tasks. Correlations at larger distances corresponding to increasing layers of the hierarchy are sequentially included as the network is trained. We analyze how the transformer layers succeed by focusing on attention maps from models trained with varying degrees of filtering. These attention maps show clear evidence for iterative hierarchical reconstruction of correlations, and we can relate these observations to a plausible implementation of the exact inference algorithm for the network sizes considered.