NeurIPS 2024 Papers

Numerous studies have demonstrated that the cognitive processes of the human brain can be modeled using the Bayesian theorem for probabilistic inference of the external world. Spiking neural networks (SNNs), capable of performing Bayesian computation with greater physiological interpretability, offer a novel approach to distributed information processing in the cortex. However, applying these models to real-world scenarios to harness the advantages of brain-like computation remains a challenge. Recently, bio-inspired sensors with high dynamic range and ultra-high temporal resolution have been widely used in extreme vision scenarios. Event streams, generated by various types of motion, represent spatiotemporal data. Inferring motion targets from these streams without prior knowledge remains a difficult task. The Bayesian inference-based Expectation-Maximization (EM) framework has proven effective for motion segmentation in event streams, allowing for decoupling without prior information about the motion or its source. This work demonstrates that Bayesian computation based on spiking neural networks can decouple event streams of different motions. The Winner-Take-All (WTA) circuits in the constructed network implement an equivalent E-step, while STDP achieves an equivalent optimization in M-step. Through theoretical analysis and experiments, we show that STDP-based learning can maximize the contrast of warped events under mixed motion models. Experimental results show that the constructed spiking network can effectively segment the motion contained in event streams.

This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an $n$-qubit gapped local Hamiltonian $H$ from only $n^{\mathcal{O}(1)}$ data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to $\mathcal{O}(\log 𝑛)$ samples when the geometry of the $n$-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size $n$, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.

Natural behaviors, even stereotyped ones, exhibit variability. Despite its role in exploring and learning, the function and neural basis of this variability is still not well understood. Given the coupling between neural activity and behavior, we ask what type of neural variability does not compromise behavioral performance. While previous studies typically curtail variability to allow for high task performance in neural networks, our approach takes the reversed perspective. We investigate how to generate maximal neural variability while at the same time having high network performance. To do so, we extend to neural activity the maximum occupancy principle (MOP) developed for behavior, and refer to this new neural principle as NeuroMOP. NeuroMOP posits that the goal of the nervous system is to maximize future action-state entropy, a reward-free, intrinsic motivation that entails creating all possible activity patterns while avoiding terminal or dangerous ones. We show that this goal can be achieved through a neural network controller that injects currents (actions) into a recurrent neural network of fixed random weights to maximize future cumulative action-state entropy. High activity variability can be induced while adhering to an energy constraint or while avoiding terminal states defined by specific neurons' activities, also in a context-dependent manner. The network solves these tasks by flexibly switching between stochastic and deterministic modes as needed and projecting noise onto a null space. Based on future maximum entropy production, NeuroMOP contributes to a novel theory of neural variability that reconciles stochastic and deterministic behaviors within a single framework.

Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.

The Spiking Neural Network (SNN) is a biologically inspired neural network infrastructure that has recently garnered significant attention. It utilizes binary spike activations to transmit information, thereby replacing multiplications with additions and resulting in high energy efficiency. However, training an SNN directly poses a challenge due to the undefined gradient of the firing spike process. Although prior works have employed various surrogate gradient training methods that use an alternative function to replace the firing process during back-propagation, these approaches ignore an intrinsic problem: gradient vanishing. To address this issue, we propose a shortcut back-propagation method in the paper, which advocates for transmitting the gradient directly from the loss to the shallow layers. This enables us to present the gradient to the shallow layers directly, thereby significantly mitigating the gradient vanishing problem. Additionally, this method does not introduce any burden during the inference phase. To strike a balance between final accuracy and ease of training, we also propose an evolutionary training framework and implement it by inducing a balance coefficient that dynamically changes with the training epoch, which further improves the network's performance. Extensive experiments conducted over static and dynamic datasets using several popular network structures reveal that our method consistently outperforms state-of-the-art methods.

How do brain circuits learn to generate behaviour? While significant strides have been made in understanding learning in artificial neural networks, applying this knowledge to biological networks remains challenging. For instance, while backpropagation is known to perform accurate credit assignment of error in artificial neural networks, how a similarly powerful process can be realized within the constraints of biological circuits remains largely unclear. One of the major challenges is that the brain's extensive recurrent connectivity requires the propagation of error through both space and time, a problem that is notoriously difficult to solve in vanilla recurrent neural networks. Moreover, the extensive feedback connections in the brain are known to influence forward network activity, but the interaction between feedback-driven activity changes and local, synaptic plasticity-based learning is not fully understood. Building on our previous work modelling motor learning, this work investigates the mechanistic properties of pre-trained networks with feedback control on a standard motor task. We show that feedback control of the ongoing recurrent network dynamics approximates the optimal first-order gradient with respect to the network activities, allowing for rapid, ongoing movement correction. Moreover, we show that trial-by-trial adaptation to a persistent perturbation using a local, biologically plausible learning rule that integrates recent activity and error feedback is both more accurate and more efficient with feedback control during learning, due to the decoupling of the recurrent network dynamics and the injection of an adaptive, second-order gradient into the network dynamics. Thus, our results suggest that feedback control may guide credit assignment in biological recurrent neural networks, enabling both rapid and efficient learning in the brain.

Originally formalized with symbolic representations, syntactic trees may also be effectively represented in the activations of large language models (LLMs). Indeed, a ''Structural Probe'' can find a subspace of neural activations, where syntactically-related words are relatively close to one-another. However, this syntactic code remains incomplete: the distance between the Structural Probe word embeddings can represent the \emph{existence} but not the type and direction of syntactic relations. Here, we hypothesize that syntactic relations are, in fact, coded by the relative direction between nearby embeddings. To test this hypothesis, we introduce a ''Polar Probe'' trained to read syntactic relations from both the distance and the direction between word embeddings. Our approach reveals three main findings. First, our Polar Probe successfully recovers the type and direction of syntactic relations, and substantially outperforms the Structural Probe by nearly two folds. Second, we confirm that this polar coordinate system exists in a low-dimensional subspace of the intermediate layers of many LLMs and becomes increasingly precise in the latest frontier models. Third, we demonstrate with a new benchmark that similar syntactic relations are coded similarly across the nested levels of syntactic trees. Overall, this work shows that LLMs spontaneously learn a geometry of neural activations that explicitly represents the main symbolic structures of linguistic theory.

Recent insights have revealed that rate-coding is a primary form of information representation captured by surrogate-gradient-based Backpropagation Through Time (BPTT) in training deep Spiking Neural Networks (SNNs). Motivated by these findings, we propose rate-based backpropagation, a training strategy specifically designed to exploit rate-based representations to reduce the complexity of BPTT. Our method minimizes reliance on detailed temporal derivatives by focusing on averaged dynamics, streamlining the computational graph to reduce memory and computational demands of SNNs training. We substantiate the rationality of the gradient approximation between BPTT and the proposed method through both theoretical analysis and empirical observations. Comprehensive experiments on CIFAR-10, CIFAR-100, ImageNet, and CIFAR10-DVS validate that our method achieves comparable performance to BPTT counterparts, and surpasses state-of-the-art efficient training techniques. By leveraging the inherent benefits of rate-coding, this work sets the stage for more scalable and efficient SNNs training within resource-constrained environments.

Stochastic optimal control, which has the goal of driving the behavior of noisy systems, is broadly applicable in science, engineering and artificial intelligence. Our work introduces Stochastic Optimal Control Matching (SOCM), a novel Iterative Diffusion Optimization (IDO) technique for stochastic optimal control that stems from the same philosophy as the conditional score matching loss for diffusion models. That is, the control is learned via a least squares problem by trying to fit a matching vector field. The training loss, which is closely connected to the cross-entropy loss, is optimized with respect to both the control function and a family of reparameterization matrices which appear in the matching vector field. The optimization with respect to the reparameterization matrices aims at minimizing the variance of the matching vector field. Experimentally, our algorithm achieves lower error than all the existing IDO techniques for stochastic optimal control for three out of four control problems, in some cases by an order of magnitude. The key idea underlying SOCM is the path-wise reparameterization trick, a novel technique that may be of independent interest.

The cortico-spinal neural pathway is fundamental for motor control and movement execution, and in humans it is typically studied using concurrent electroencephalography (EEG) and electromyography (EMG) recordings. However, current approaches for capturing high-level and contextual connectivity between these recordings have important limitations. Here, we present a novel application of statistical dependence estimators based on orthonormal decomposition of density ratios to model the relationship between cortical and muscle oscillations. Our method extends from traditional scalar-valued measures by learning eigenvalues, eigenfunctions, and projection spaces of density ratios from realizations of the signal, addressing the interpretability, scalability, and local temporal dependence of cortico-muscular connectivity. We experimentally demonstrate that eigenfunctions learned from cortico-muscular connectivity can accurately classify movements and subjects. Moreover, they reveal channel and temporal dependencies that confirm the activation of specific EEG channels during movement.

Precision matrix estimation is a ubiquitous task featuring numerous applications such as rare disease diagnosis and neural connectivity exploration. However, this task becomes challenging in small sample settings, where the number of samples is significantly less than the number of dimensions, leading to unreliable estimates. Previous approaches either fail to perform well in small sample settings or suffer from inefficient estimation processes, even when incorporating meta-learning techniques. To this end, we propose a novel approach FasMe for Fast and Sample-efficient Meta Precision Matrix Learning, which first extracts meta-knowledge through a multi-task learning diagram. Then, meta-knowledge constraints are applied using a maximum determinant matrix completion algorithm for the novel task. As a result, we reduce the sample size requirements to $O(\log p/K)$ per meta-training task and $O(\log\vert \mathcal{G}\vert)$ for the meta-testing task. Moreover, the hereby proposed model only needs $O(p \log\epsilon^{-1})$ time and $O(p)$ memory for converging to an $\epsilon$-accurate solution. On multiple synthetic and biomedical datasets, FasMe is at least ten times faster than the four baselines while promoting prediction accuracy in small sample settings.

Energy-based models (EBMs) offer a flexible framework for probabilistic modelling across various data domains. However, training EBMs on data in discrete or mixed state spaces poses significant challenges due to the lack of robust and fast sampling methods. In this work, we propose to train discrete EBMs with Energy Discrepancy, a loss function which only requires the evaluation of the energy function at data points and their perturbed counterparts, thus eliminating the need for Markov chain Monte Carlo. We introduce perturbations of the data distribution by simulating a diffusion process on the discrete state space endowed with a graph structure. This allows us to inform the choice of perturbation from the structure of the modelled discrete variable, while the continuous time parameter enables fine-grained control of the perturbation. Empirically, we demonstrate the efficacy of the proposed approaches in a wide range of applications, including the estimation of discrete densities with non-binary vocabulary and binary image modelling. We also introduce the first application of EBMs to tabular data sets with applications in synthetic data generation and calibrated classification.

Invasive brain-computer interfaces with Electrocorticography (ECoG) have shown promise for high-performance speech decoding in medical applications, but less damaging methods like intracranial stereo-electroencephalography (sEEG) remain underexplored. With rapid advances in representation learning, leveraging abundant recordings to enhance speech decoding is increasingly attractive. However, popular methods often pre-train temporal models based on brain-level tokens, overlooking that brain activities in different regions are highly desynchronized during tasks. Alternatively, they pre-train spatial-temporal models based on channel-level tokens but fail to evaluate them on challenging tasks like speech decoding, which requires intricate processing in specific language-related areas. To address this issue, we collected a well-annotated Chinese word-reading sEEG dataset targeting language-related brain networks from 12 subjects. Using this benchmark, we developed the Du-IN model, which extracts contextual embeddings based on region-level tokens through discrete codex-guided mask modeling. Our model achieves state-of-the-art performance on the 61-word classification task, surpassing all baselines. Model comparisons and ablation studies reveal that our design choices, including (\romannumeral1) temporal modeling based on region-level tokens by utilizing 1D depthwise convolution to fuse channels in the ventral sensorimotor cortex (vSMC) and superior temporal gyrus (STG) and (\romannumeral2) self-supervision through discrete codex-guided mask modeling, significantly contribute to this performance. Overall, our approach -- inspired by neuroscience findings and capitalizing on region-level representations from specific brain regions -- is suitable for invasive brain modeling and represents a promising neuro-inspired AI approach in brain-computer interfaces. Code and dataset are available at https://github.com/liulab-repository/Du-IN.

Symmetries are prevalent in deep learning and can significantly influence the learning dynamics of neural networks. In this paper, we examine how exponential symmetries -- a broad subclass of continuous symmetries present in the model architecture or loss function -- interplay with stochastic gradient descent (SGD). We first prove that gradient noise creates a systematic motion (a ``Noether flow") of the parameters $\theta$ along the degenerate direction to a unique initialization-independent fixed point $\theta^*$. These points are referred to as the noise equilibria because, at these points, noise contributions from different directions are balanced and aligned. Then, we show that the balance and alignment of gradient noise can serve as a novel alternative mechanism for explaining important phenomena such as progressive sharpening/flattening and representation formation within neural networks and have practical implications for understanding techniques like representation normalization and warmup.

Data-driven algorithm design is a paradigm that uses statistical and machine learning techniques to select from a class of algorithms for a computational problem an algorithm that has the best expected performance with respect to some (unknown) distribution on the instances of the problem. We build upon recent work in this line of research by considering the setup where, instead of selecting a single algorithm that has the best performance, we allow the possibility of selecting an algorithm based on the instance to be solved, using neural networks. In particular, given a representative sample of instances, we learn a neural network that maps an instance of the problem to the most appropriate algorithm *for that instance*. We formalize this idea and derive rigorous sample complexity bounds for this learning problem, in the spirit of recent work in data-driven algorithm design. We then apply this approach to the problem of making good decisions in the branch-and-cut framework for mixed-integer optimization (e.g., which cut to add?). In other words, the neural network will take as input a mixed-integer optimization instance and output a decision that will result in a small branch-and-cut tree for that instance. Our computational results provide evidence that our particular way of using neural networks for cut selection can make a significant impact in reducing branch-and-cut tree sizes, compared to previous data-driven approaches.

We study a generalization of classical active learning to real-world settings with concrete prediction targets where sampling is restricted to an accessible region of the domain, while prediction targets may lie outside this region. We analyze a family of decision rules that sample adaptively to minimize uncertainty about prediction targets. We are the first to show, under general regularity assumptions, that such decision rules converge uniformly to the smallest possible uncertainty obtainable from the accessible data. We demonstrate their strong sample efficiency in two key applications: active fine-tuning of large neural networks and safe Bayesian optimization, where they achieve state-of-the-art performance.

Humans can effortlessly draw new categories from a single exemplar, a feat that has long posed a challenge for generative models. However, this gap has started to close with recent advances in diffusion models. This one-shot drawing task requires powerful inductive biases that have not been systematically investigated. Here, we study how different inductive biases shape the latent space of Latent Diffusion Models (LDMs). Along with standard LDM regularizers (KL and vector quantization), we explore supervised regularizations (including classification and prototype-based representation) and contrastive inductive biases (using SimCLR and redundancy reduction objectives). We demonstrate that LDMs with redundancy reduction and prototype-based regularizations produce near-human-like drawings (regarding both samples' recognizability and originality) -- better mimicking human perception (as evaluated psychophysically). Overall, our results suggest that the gap between humans and machines in one-shot drawings is almost closed.

Inferring the synaptic plasticity rules that govern learning in the brain is a key challenge in neuroscience. We present a novel computational method to infer these rules from experimental data, applicable to both neural and behavioral data. Our approach approximates plasticity rules using a parameterized function, employing either truncated Taylor series for theoretical interpretability or multilayer perceptrons. These plasticity parameters are optimized via gradient descent over entire trajectories to align closely with observed neural activity or behavioral learning dynamics. This method can uncover complex rules that induce long nonlinear time dependencies, particularly involving factors like postsynaptic activity and current synaptic weights. We validate our approach through simulations, successfully recovering established rules such as Oja's, as well as more intricate plasticity rules with reward-modulated terms. We assess the robustness of our technique to noise and apply it to behavioral data from \textit{Drosophila} in a probabilistic reward-learning experiment. Notably, our findings reveal an active forgetting component in reward learning in flies, improving predictive accuracy over previous models. This modeling framework offers a promising new avenue for elucidating the computational principles of synaptic plasticity and learning in the brain.