Daily Papers

Learning in strategy games (e.g. StarCraft, poker) requires the discovery of diverse policies. This is often achieved by iteratively training new policies against existing ones, growing a policy population that is robust to exploit. This iterative approach suffers from two issues in real-world games: a) under finite budget, approximate best-response operators at each iteration needs truncating, resulting in under-trained good-responses populating the population; b) repeated learning of basic skills at each iteration is wasteful and becomes intractable in the presence of increasingly strong opponents. In this work, we propose Neural Population Learning (NeuPL) as a solution to both issues. NeuPL offers convergence guarantees to a population of best-responses under mild assumptions. By representing a population of policies within a single conditional model, NeuPL enables transfer learning across policies. Empirically, we show the generality, improved performance and efficiency of NeuPL across several test domains. Most interestingly, we show that novel strategies become more accessible, not less, as the neural population expands.

Learning to play optimally against any mixture over a diverse set of strategies is of important practical interests in competitive games. In this paper, we propose simplex-NeuPL that satisfies two desiderata simultaneously: i) learning a population of strategically diverse basis policies, represented by a single conditional network; ii) using the same network, learn best-responses to any mixture over the simplex of basis policies. We show that the resulting conditional policies incorporate prior information about their opponents effectively, enabling near optimal returns against arbitrary mixture policies in a game with tractable best-responses. We verify that such policies behave Bayes-optimally under uncertainty and offer insights in using this flexibility at test time. Finally, we offer evidence that learning best-responses to any mixture policies is an effective auxiliary task for strategic exploration, which, by itself, can lead to more performant populations.

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.

Recently, evolutionary reinforcement learning has obtained much attention in various domains. Maintaining a population of actors, evolutionary reinforcement learning utilises the collected experiences to improve the behaviour policy through efficient exploration. However, the poor scalability of genetic operators limits the efficiency of optimising high-dimensional neural networks. To address this issue, this paper proposes a novel cooperative coevolutionary reinforcement learning (CoERL) algorithm. Inspired by cooperative coevolution, CoERL periodically and adaptively decomposes the policy optimisation problem into multiple subproblems and evolves a population of neural networks for each of the subproblems. Instead of using genetic operators, CoERL directly searches for partial gradients to update the policy. Updating policy with partial gradients maintains consistency between the behaviour spaces of parents and offspring across generations. The experiences collected by the population are then used to improve the entire policy, which enhances the sampling efficiency. Experiments on six benchmark locomotion tasks demonstrate that CoERL outperforms seven state-of-the-art algorithms and baselines. Ablation study verifies the unique contribution of CoERL's core ingredients.

Neural networks dominate the modern machine learning landscape, but their training and success still suffer from sensitivity to empirical choices of hyperparameters such as model architecture, loss function, and optimisation algorithm. In this work we present Population Based Training (PBT), a simple asynchronous optimisation algorithm which effectively utilises a fixed computational budget to jointly optimise a population of models and their hyperparameters to maximise performance. Importantly, PBT discovers a schedule of hyperparameter settings rather than following the generally sub-optimal strategy of trying to find a single fixed set to use for the whole course of training. With just a small modification to a typical distributed hyperparameter training framework, our method allows robust and reliable training of models. We demonstrate the effectiveness of PBT on deep reinforcement learning problems, showing faster wall-clock convergence and higher final performance of agents by optimising over a suite of hyperparameters. In addition, we show the same method can be applied to supervised learning for machine translation, where PBT is used to maximise the BLEU score directly, and also to training of Generative Adversarial Networks to maximise the Inception score of generated images. In all cases PBT results in the automatic discovery of hyperparameter schedules and model selection which results in stable training and better final performance.

Motivated by the recent progresses on machine learning-based models that learn artistic styles, in this paper we focus on the problem of poem generation. This is a challenging task in which the machine has to capture the linguistic features that strongly characterize a certain poet, as well as the semantics of the poet's production, that are influenced by his personal experiences and by his literary background. Since poetry is constructed using syllables, that regulate the form and structure of poems, we propose a syllable-based neural language model, and we describe a poem generation mechanism that is designed around the poet style, automatically selecting the most representative generations. The poetic work of a target author is usually not enough to successfully train modern deep neural networks, so we propose a multi-stage procedure that exploits non-poetic works of the same author, and also other publicly available huge corpora to learn syntax and grammar of the target language. We focus on the Italian poet Dante Alighieri, widely famous for his Divine Comedy. A quantitative and qualitative experimental analysis of the generated tercets is reported, where we included expert judges with strong background in humanistic studies. The generated tercets are frequently considered to be real by a generic population of judges, with relative difference of 56.25\% with respect to the ones really authored by Dante, and expert judges perceived Dante's style and rhymes in the generated text.

The advent of single-cell technology has significantly improved our understanding of cellular states and subpopulations in various tissues under normal and diseased conditions by employing data-driven approaches such as clustering and trajectory inference. However, these methods consider cells as independent data points of population distributions. With spatial transcriptomics, we can represent cellular organization, along with dynamic cell-cell interactions that lead to changes in cell state. Still, key computational advances are necessary to enable the data-driven learning of such complex interactive cellular dynamics. While agent-based modeling (ABM) provides a powerful framework, traditional approaches rely on handcrafted rules derived from domain knowledge rather than data-driven approaches. To address this, we introduce Spatio Temporal Agent-Based Graph Evolution Dynamics(STAGED) integrating ABM with deep learning to model intercellular communication, and its effect on the intracellular gene regulatory network. Using graph ODE networks (GDEs) with shared weights per cell type, our approach represents genes as vertices and interactions as directed edges, dynamically learning their strengths through a designed attention mechanism. Trained to match continuous trajectories of simulated as well as inferred trajectories from spatial transcriptomics data, the model captures both intercellular and intracellular interactions, enabling a more adaptive and accurate representation of cellular dynamics.

Recently, interest has grown in exploring the hypothesis that neural activity conveys information through precise spiking motifs. To investigate this phenomenon, various algorithms have been proposed to detect such motifs in Single Unit Activity (SUA) recorded from populations of neurons. In this study, we present a novel detection model based on the inversion of a generative model of raster plot synthesis. Using this generative model, we derive an optimal detection procedure that takes the form of logistic regression combined with temporal convolution. A key advantage of this model is its differentiability, which allows us to formulate a supervised learning approach using a gradient descent on the binary cross-entropy loss. To assess the model's ability to detect spiking motifs in synthetic data, we first perform numerical evaluations. This analysis highlights the advantages of using spiking motifs over traditional firing rate based population codes. We then successfully demonstrate that our learning method can recover synthetically generated spiking motifs, indicating its potential for further applications. In the future, we aim to extend this method to real neurobiological data, where the ground truth is unknown, to explore and detect spiking motifs in a more natural and biologically relevant context.

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on challenging deep reinforcement learning (RL) problems. However, ES can be considered a gradient-based algorithm because it performs stochastic gradient descent via an operation similar to a finite-difference approximation of the gradient. That raises the question of whether non-gradient-based evolutionary algorithms can work at DNN scales. Here we demonstrate they can: we evolve the weights of a DNN with a simple, gradient-free, population-based genetic algorithm (GA) and it performs well on hard deep RL problems, including Atari and humanoid locomotion. The Deep GA successfully evolves networks with over four million free parameters, the largest neural networks ever evolved with a traditional evolutionary algorithm. These results (1) expand our sense of the scale at which GAs can operate, (2) suggest intriguingly that in some cases following the gradient is not the best choice for optimizing performance, and (3) make immediately available the multitude of neuroevolution techniques that improve performance. We demonstrate the latter by showing that combining DNNs with novelty search, which encourages exploration on tasks with deceptive or sparse reward functions, can solve a high-dimensional problem on which reward-maximizing algorithms (e.g.\ DQN, A3C, ES, and the GA) fail. Additionally, the Deep GA is faster than ES, A3C, and DQN (it can train Atari in {raise.17ex\scriptstyle\sim}4 hours on one desktop or {raise.17ex\scriptstyle\sim}1 hour distributed on 720 cores), and enables a state-of-the-art, up to 10,000-fold compact encoding technique.

Despite significant progress in challenging problems across various domains, applying state-of-the-art deep reinforcement learning (RL) algorithms remains challenging due to their sensitivity to the choice of hyperparameters. This sensitivity can partly be attributed to the non-stationarity of the RL problem, potentially requiring different hyperparameter settings at various stages of the learning process. Additionally, in the RL setting, hyperparameter optimization (HPO) requires a large number of environment interactions, hindering the transfer of the successes in RL to real-world applications. In this work, we tackle the issues of sample-efficient and dynamic HPO in RL. We propose a population-based automated RL (AutoRL) framework to meta-optimize arbitrary off-policy RL algorithms. In this framework, we optimize the hyperparameters and also the neural architecture while simultaneously training the agent. By sharing the collected experience across the population, we substantially increase the sample efficiency of the meta-optimization. We demonstrate the capabilities of our sample-efficient AutoRL approach in a case study with the popular TD3 algorithm in the MuJoCo benchmark suite, where we reduce the number of environment interactions needed for meta-optimization by up to an order of magnitude compared to population-based training.

Understanding how overparameterized neural networks generalize despite perfect interpolation of noisy training data is a fundamental question. Mallinar et. al. 2022 noted that neural networks seem to often exhibit ``tempered overfitting'', wherein the population risk does not converge to the Bayes optimal error, but neither does it approach infinity, yielding non-trivial generalization. However, this has not been studied rigorously. We provide the first rigorous analysis of the overfitting behavior of regression with minimum norm (ell_2 of weights), focusing on univariate two-layer ReLU networks. We show overfitting is tempered (with high probability) when measured with respect to the L_1 loss, but also show that the situation is more complex than suggested by Mallinar et. al., and overfitting is catastrophic with respect to the L_2 loss, or when taking an expectation over the training set.

Population-based search has recently emerged as a possible alternative to Reinforcement Learning (RL) for black-box neural architecture search (NAS). It performs well in practice even though it is not theoretically well understood. In particular, whereas traditional population-based search methods such as evolutionary algorithms (EAs) draw much power from crossover operations, it is difficult to take advantage of them in NAS. The main obstacle is believed to be the permutation problem: The mapping between genotype and phenotype in traditional graph representations is many-to-one, leading to a disruptive effect of standard crossover. This paper presents the first theoretical analysis of the behaviors of mutation, crossover and RL in black-box NAS, and proposes a new crossover operator based on the shortest edit path (SEP) in graph space. The SEP crossover is shown theoretically to overcome the permutation problem, and as a result, have a better expected improvement compared to mutation, standard crossover and RL. Further, it empirically outperform these other methods on state-of-the-art NAS benchmarks. The SEP crossover therefore allows taking full advantage of population-based search in NAS, and the underlying theory can serve as a foundation for deeper understanding of black-box NAS methods in general.

Similarity metrics such as representational similarity analysis (RSA) and centered kernel alignment (CKA) have been used to compare layer-wise representations between neural networks. However, these metrics are confounded by the population structure of data items in the input space, leading to spuriously high similarity for even completely random neural networks and inconsistent domain relations in transfer learning. We introduce a simple and generally applicable fix to adjust for the confounder with covariate adjustment regression, which retains the intuitive invariance properties of the original similarity measures. We show that deconfounding the similarity metrics increases the resolution of detecting semantically similar neural networks. Moreover, in real-world applications, deconfounding improves the consistency of representation similarities with domain similarities in transfer learning, and increases correlation with out-of-distribution accuracy.

We introduce Evolution Guided General Optimization via Low-rank Learning (EGGROLL), an evolution strategies (ES) algorithm designed to scale backprop-free optimization to large population sizes for modern large neural network architectures with billions of parameters. ES is a set of powerful blackbox optimisation methods that can handle non-differentiable or noisy objectives with excellent scaling potential through parallelisation. Na{ï}ve ES becomes prohibitively expensive at scale due to the computational and memory costs associated with generating matrix perturbations EinR^{mtimes n} and the batched matrix multiplications needed to compute per-member forward passes. EGGROLL overcomes these bottlenecks by generating random matrices Ain R^{mtimes r}, Bin R^{ntimes r} with rll min(m,n) to form a low-rank matrix perturbation A B^top that are used in place of the full-rank perturbation E. As the overall update is an average across a population of N workers, this still results in a high-rank update but with significant memory and computation savings, reducing the auxiliary storage from mn to r(m+n) per layer and the cost of a forward pass from O(mn) to O(r(m+n)) when compared to full-rank ES. A theoretical analysis reveals our low-rank update converges to the full-rank update at a fast Oleft(1{r}right) rate. Our experiments show that (1) EGGROLL does not compromise the performance of ES in tabula-rasa RL settings, despite being faster, (2) it is competitive with GRPO as a technique for improving LLM reasoning, and (3) EGGROLL enables stable pre-training of nonlinear recurrent language models that operate purely in integer datatypes.

The Wilson-Cowan model for metapopulation, a Neural Mass Network Model, treats different subcortical regions of the brain as connected nodes, with connections representing various types of structural, functional, or effective neuronal connectivity between these regions. Each region comprises interacting populations of excitatory and inhibitory cells, consistent with the standard Wilson-Cowan model. By incorporating stable attractors into such a metapopulation model's dynamics, we transform it into a learning algorithm capable of achieving high image and text classification accuracy. We test it on MNIST and Fashion MNIST, in combination with convolutional neural networks, on CIFAR-10 and TF-FLOWERS, and, in combination with a transformer architecture (BERT), on IMDB, always showing high classification accuracy. These numerical evaluations illustrate that minimal modifications to the Wilson-Cowan model for metapopulation can reveal unique and previously unobserved dynamics.

The recent proliferation of research into transformer based natural language processing has led to a number of studies which attempt to detect the presence of human-like cognitive behavior in the models. We contend that, as is true of human psychology, the investigation of cognitive behavior in language models must be conducted in an appropriate population of an appropriate size for the results to be meaningful. We leverage work in uncertainty estimation in a novel approach to efficiently construct experimental populations. The resultant tool, PopulationLM, has been made open source. We provide theoretical grounding in the uncertainty estimation literature and motivation from current cognitive work regarding language models. We discuss the methodological lessons from other scientific communities and attempt to demonstrate their application to two artificial population studies. Through population based experimentation we find that language models exhibit behavior consistent with typicality effects among categories highly represented in training. However, we find that language models don't tend to exhibit structural priming effects. Generally, our results show that single models tend to over estimate the presence of cognitive behaviors in neural models.

Neural populations exhibit latent dynamical structures that drive time-evolving spiking activities, motivating the search for models that capture both intrinsic network dynamics and external unobserved influences. In this work, we introduce LangevinFlow, a sequential Variational Auto-Encoder where the time evolution of latent variables is governed by the underdamped Langevin equation. Our approach incorporates physical priors -- such as inertia, damping, a learned potential function, and stochastic forces -- to represent both autonomous and non-autonomous processes in neural systems. Crucially, the potential function is parameterized as a network of locally coupled oscillators, biasing the model toward oscillatory and flow-like behaviors observed in biological neural populations. Our model features a recurrent encoder, a one-layer Transformer decoder, and Langevin dynamics in the latent space. Empirically, our method outperforms state-of-the-art baselines on synthetic neural populations generated by a Lorenz attractor, closely matching ground-truth firing rates. On the Neural Latents Benchmark (NLB), the model achieves superior held-out neuron likelihoods (bits per spike) and forward prediction accuracy across four challenging datasets. It also matches or surpasses alternative methods in decoding behavioral metrics such as hand velocity. Overall, this work introduces a flexible, physics-inspired, high-performing framework for modeling complex neural population dynamics and their unobserved influences.

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.

We study the problem of learning a single neuron with respect to the L_2^2-loss in the presence of adversarial label noise. We give an efficient algorithm that, for a broad family of activations including ReLUs, approximates the optimal L_2^2-error within a constant factor. Our algorithm applies under much milder distributional assumptions compared to prior work. The key ingredient enabling our results is a novel connection to local error bounds from optimization theory.

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function piproptoe^{-U} is known up to a normalizing constant, which is an important task in fields such as statistical physics, machine learning, combinatorial optimization, etc. To better address this challenging task when the state space has a large cardinality and the distribution is multi-modal, we propose Masked Diffusion Neural Sampler (MDNS), a novel framework for training discrete neural samplers by aligning two path measures through a family of learning objectives, theoretically grounded in the stochastic optimal control of the continuous-time Markov chains. We validate the efficiency and scalability of MDNS through extensive experiments on various distributions with distinct statistical properties, where MDNS learns to accurately sample from the target distributions despite the extremely high problem dimensions and outperforms other learning-based baselines by a large margin. A comprehensive study of ablations and extensions is also provided to demonstrate the efficacy and potential of the proposed framework.

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

The brain understands the external world through an internal model that generates predictions and refines them based on prediction errors. A complete prediction specifies what will happen, when it will happen, and with what probability, which we refer to as a "prediction object". Existing models typically capture only what and when, omit probabilities, and rely on biologically-implausible algorithms. Here we show that a single population of spiking neurons can jointly encode the prediction object through a biologically grounded learning mechanism. We implement a heterogeneous Izhikevich spiking reservoir with readouts trained by an error-modulated, attention-gated three-factor Hebbian rule and test it on a novel paradigm that controls both the timing and probability of upcoming stimuli. By integrating real-time learning of "when" with offline consolidation of "what", the model encodes the complete prediction object, firing at the correct times with magnitudes proportional to the probabilities. Critically, it rapidly adapts to changes in both stimulus timing and probability, an ability that global least-squares methods such as FORCE lack without explicit resets. During learning, the model self-organizes its readout weights into near-orthogonal subspaces for "what" and "when," showing that multiplexed encoding arises naturally from generic recurrent dynamics under local, error-gated modulation. These results challenge the view that "what" and "when" predictions require separate modules, suggesting instead that mixed selectivity within shared populations supports flexible predictive cognition. The model also predicts phase-specific neuromodulation and overlapping neural subspaces, offering a parsimonious alternative to hierarchical predictive-coding accounts.

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.

In class incremental learning, neural networks typically suffer from catastrophic forgetting. We show that an MLP featuring a sparse activation function and an adaptive learning rate optimizer can compete with established regularization techniques in the Split-MNIST task. We highlight the effectiveness of the Adaptive SwisH (ASH) activation function in this context and introduce a novel variant, Hard Adaptive SwisH (Hard ASH) to further enhance the learning retention.

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.

Neural network approaches for meta-learning distributions over functions have desirable properties such as increased flexibility and a reduced complexity of inference. Building on the successes of denoising diffusion models for generative modelling, we propose Neural Diffusion Processes (NDPs), a novel approach that learns to sample from a rich distribution over functions through its finite marginals. By introducing a custom attention block we are able to incorporate properties of stochastic processes, such as exchangeability, directly into the NDP's architecture. We empirically show that NDPs can capture functional distributions close to the true Bayesian posterior, demonstrating that they can successfully emulate the behaviour of Gaussian processes and surpass the performance of neural processes. NDPs enable a variety of downstream tasks, including regression, implicit hyperparameter marginalisation, non-Gaussian posterior prediction and global optimisation.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

We consider the neural contextual bandit problem. In contrast to the existing work which primarily focuses on ReLU neural nets, we consider a general set of smooth activation functions. Under this more general setting, (i) we derive non-asymptotic error bounds on the difference between an overparameterized neural net and its corresponding neural tangent kernel, (ii) we propose an algorithm with a provably sublinear regret bound that is also efficient in the finite regime as demonstrated by empirical studies. The non-asymptotic error bounds may be of broader interest as a tool to establish the relation between the smoothness of the activation functions in neural contextual bandits and the smoothness of the kernels in kernel bandits.

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

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.

The multi-modal nature of many vision problems calls for neural network architectures that can perform multiple tasks concurrently. Typically, such architectures have been handcrafted in the literature. However, given the size and complexity of the problem, this manual architecture exploration likely exceeds human design abilities. In this paper, we propose a principled approach, rooted in differentiable neural architecture search, to automatically define branching (tree-like) structures in the encoding stage of a multi-task neural network. To allow flexibility within resource-constrained environments, we introduce a proxyless, resource-aware loss that dynamically controls the model size. Evaluations across a variety of dense prediction tasks show that our approach consistently finds high-performing branching structures within limited resource budgets.

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer that, given an initial input parameter vector and a prompted loss, error, or return, predicts the distribution over parameter updates that achieve the desired metric. At test time, it can optimize neural networks with unseen parameters for downstream tasks in just one update. We find that our approach successfully generates parameters for a wide range of loss prompts. Moreover, it can sample multimodal parameter solutions and has favorable scaling properties. We apply our method to different neural network architectures and tasks in supervised and reinforcement learning.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Learning from human feedback (LHF) -- and in particular learning from pairwise preferences -- has recently become a crucial ingredient in training large language models (LLMs), and has been the subject of much research. Most recent works frame it as a reinforcement learning problem, where a reward function is learned from pairwise preference data and the LLM is treated as a policy which is adapted to maximize the rewards, often under additional regularization constraints. We propose an alternative interpretation which centers on the generative process for pairwise preferences and treats LHF as a density estimation problem. We provide theoretical and empirical results showing that for a family of generative processes defined via preference behavior distribution equations, training a reward function on pairwise preferences effectively models an annotator's implicit preference distribution. Finally, we discuss and present findings on "annotator misspecification" -- failure cases where wrong modeling assumptions are made about annotator behavior, resulting in poorly-adapted models -- suggesting that approaches that learn from pairwise human preferences could have trouble learning from a population of annotators with diverse viewpoints.

Sensory systems across all modalities and species exhibit adaptation to continuously changing input statistics. Individual neurons have been shown to modulate their response gains so as to maximize information transmission in different stimulus contexts. Experimental measurements have revealed additional, nuanced sensory adaptation effects including changes in response maxima and minima, tuning curve repulsion from the adapter stimulus, and stimulus-driven response decorrelation. Existing explanations of these phenomena rely on changes in inter-neuronal synaptic efficacy, which, while more flexible, are unlikely to operate as rapidly or reversibly as single neuron gain modulations. Using published V1 population adaptation data, we show that propagation of single neuron gain changes in a recurrent network is sufficient to capture the entire set of observed adaptation effects. We propose a novel adaptive efficient coding objective with which single neuron gains are modulated, maximizing the fidelity of the stimulus representation while minimizing overall activity in the network. From this objective, we analytically derive a set of gains that optimize the trade-off between preserving information about the stimulus and conserving metabolic resources. Our model generalizes well-established concepts of single neuron adaptive gain control to recurrent populations, and parsimoniously explains experimental adaptation data.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

Attention Model has now become an important concept in neural networks that has been researched within diverse application domains. This survey provides a structured and comprehensive overview of the developments in modeling attention. In particular, we propose a taxonomy which groups existing techniques into coherent categories. We review salient neural architectures in which attention has been incorporated, and discuss applications in which modeling attention has shown a significant impact. We also describe how attention has been used to improve the interpretability of neural networks. Finally, we discuss some future research directions in attention. We hope this survey will provide a succinct introduction to attention models and guide practitioners while developing approaches for their applications.

Despite the success of deep neural networks, there are still many challenges in deep representation learning due to the data scarcity issues such as data imbalance, unseen distribution, and domain shift. To address the above-mentioned issues, a variety of methods have been devised to explore the sample relationships in a vanilla way (i.e., from the perspectives of either the input or the loss function), failing to explore the internal structure of deep neural networks for learning with sample relationships. Inspired by this, we propose to enable deep neural networks themselves with the ability to learn the sample relationships from each mini-batch. Specifically, we introduce a batch transformer module or BatchFormer, which is then applied into the batch dimension of each mini-batch to implicitly explore sample relationships during training. By doing this, the proposed method enables the collaboration of different samples, e.g., the head-class samples can also contribute to the learning of the tail classes for long-tailed recognition. Furthermore, to mitigate the gap between training and testing, we share the classifier between with or without the BatchFormer during training, which can thus be removed during testing. We perform extensive experiments on over ten datasets and the proposed method achieves significant improvements on different data scarcity applications without any bells and whistles, including the tasks of long-tailed recognition, compositional zero-shot learning, domain generalization, and contrastive learning. Code will be made publicly available at https://github.com/zhihou7/BatchFormer.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

We propose sparsemax, a new activation function similar to the traditional softmax, but able to output sparse probabilities. After deriving its properties, we show how its Jacobian can be efficiently computed, enabling its use in a network trained with backpropagation. Then, we propose a new smooth and convex loss function which is the sparsemax analogue of the logistic loss. We reveal an unexpected connection between this new loss and the Huber classification loss. We obtain promising empirical results in multi-label classification problems and in attention-based neural networks for natural language inference. For the latter, we achieve a similar performance as the traditional softmax, but with a selective, more compact, attention focus.

Despite considerable advancements with deep neural language models, the enigma of neural text degeneration persists when these models are tested as text generators. The counter-intuitive empirical observation is that even though the use of likelihood as training objective leads to high quality models for a broad range of language understanding tasks, using likelihood as a decoding objective leads to text that is bland and strangely repetitive. In this paper, we reveal surprising distributional differences between human text and machine text. In addition, we find that decoding strategies alone can dramatically effect the quality of machine text, even when generated from exactly the same neural language model. Our findings motivate Nucleus Sampling, a simple but effective method to draw the best out of neural generation. By sampling text from the dynamic nucleus of the probability distribution, which allows for diversity while effectively truncating the less reliable tail of the distribution, the resulting text better demonstrates the quality of human text, yielding enhanced diversity without sacrificing fluency and coherence.

In this work, our goal is to train agents that can coordinate with seen, unseen as well as human partners in a multi-agent communication environment involving natural language. Previous work using a single set of agents has shown great progress in generalizing to known partners, however it struggles when coordinating with unfamiliar agents. To mitigate that, recent work explored the use of population-based approaches, where multiple agents interact with each other with the goal of learning more generic protocols. These methods, while able to result in good coordination between unseen partners, still only achieve so in cases of simple languages, thus failing to adapt to human partners using natural language. We attribute this to the use of static populations and instead propose a dynamic population-based meta-learning approach that builds such a population in an iterative manner. We perform a holistic evaluation of our method on two different referential games, and show that our agents outperform all prior work when communicating with seen partners and humans. Furthermore, we analyze the natural language generation skills of our agents, where we find that our agents also outperform strong baselines. Finally, we test the robustness of our agents when communicating with out-of-population agents and carefully test the importance of each component of our method through ablation studies.

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.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

Inspired by the phenomenon of catastrophic forgetting, we investigate the learning dynamics of neural networks as they train on single classification tasks. Our goal is to understand whether a related phenomenon occurs when data does not undergo a clear distributional shift. We define a `forgetting event' to have occurred when an individual training example transitions from being classified correctly to incorrectly over the course of learning. Across several benchmark data sets, we find that: (i) certain examples are forgotten with high frequency, and some not at all; (ii) a data set's (un)forgettable examples generalize across neural architectures; and (iii) based on forgetting dynamics, a significant fraction of examples can be omitted from the training data set while still maintaining state-of-the-art generalization performance.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Learning to remember over long timescales is fundamentally challenging for recurrent neural networks (RNNs). While much prior work has explored why RNNs struggle to learn long timescales and how to mitigate this, we still lack a clear understanding of the dynamics involved when RNNs learn long timescales via gradient descent. Here we build a mathematical theory of the learning dynamics of linear RNNs trained to integrate white noise. We show that when the initial recurrent weights are small, the dynamics of learning are described by a low-dimensional system that tracks a single outlier eigenvalue of the recurrent weights. This reveals the precise manner in which the long timescale associated with white noise integration is learned. We extend our analyses to RNNs learning a damped oscillatory filter, and find rich dynamical equations for the evolution of a conjugate pair of outlier eigenvalues. Taken together, our analyses build a rich mathematical framework for studying dynamical learning problems salient for both machine learning and neuroscience.

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on four popular NP-hard problems: traveling salesman, capacitated vehicle routing, 0-1 knapsack, and job-shop scheduling.

Inspired by recent work in machine translation and object detection, we introduce an attention based model that automatically learns to describe the content of images. We describe how we can train this model in a deterministic manner using standard backpropagation techniques and stochastically by maximizing a variational lower bound. We also show through visualization how the model is able to automatically learn to fix its gaze on salient objects while generating the corresponding words in the output sequence. We validate the use of attention with state-of-the-art performance on three benchmark datasets: Flickr8k, Flickr30k and MS COCO.

We consider dense, associative neural-networks trained with no supervision and we investigate their computational capabilities analytically, via a statistical-mechanics approach, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as the quality and quantity of the training dataset and the network storage, valid in the limit of large network size and structureless datasets. Moreover, we establish a bridge between macroscopic observables standardly used in statistical mechanics and loss functions typically used in the machine learning. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate neural networks in general.

Deep Generative AI has been a long-standing essential topic in the machine learning community, which can impact a number of application areas like text generation and computer vision. The major paradigm to train a generative model is maximum likelihood estimation, which pushes the learner to capture and approximate the target data distribution by decreasing the divergence between the model distribution and the target distribution. This formulation successfully establishes the objective of generative tasks, while it is incapable of satisfying all the requirements that a user might expect from a generative model. Reinforcement learning, serving as a competitive option to inject new training signals by creating new objectives that exploit novel signals, has demonstrated its power and flexibility to incorporate human inductive bias from multiple angles, such as adversarial learning, hand-designed rules and learned reward model to build a performant model. Thereby, reinforcement learning has become a trending research field and has stretched the limits of generative AI in both model design and application. It is reasonable to summarize and conclude advances in recent years with a comprehensive review. Although there are surveys in different application areas recently, this survey aims to shed light on a high-level review that spans a range of application areas. We provide a rigorous taxonomy in this area and make sufficient coverage on various models and applications. Notably, we also surveyed the fast-developing large language model area. We conclude this survey by showing the potential directions that might tackle the limit of current models and expand the frontiers for generative AI.

The approximation capability of ANNs and their RNN instantiations, is strongly correlated with the number of parameters packed into these networks. However, the complexity barrier for human understanding, is arguably related to the number of neurons and synapses in the networks, and to the associated nonlinear transformations. In this paper we show that the use of biophysical synapses, as found in LTCs, have two main benefits. First, they allow to pack more parameters for a given number of neurons and synapses. Second, they allow to formulate the nonlinear-network transformation, as a linear system with state-dependent coefficients. Both increase interpretability, as for a given task, they allow to learn a system linear in its input features, that is smaller in size compared to the state of the art. We substantiate the above claims on various time-series prediction tasks, but we believe that our results are applicable to any feedforward or recurrent ANN.

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

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

We study the problem of combining neural networks with symbolic reasoning. Recently introduced frameworks for Probabilistic Neurosymbolic Learning (PNL), such as DeepProbLog, perform exponential-time exact inference, limiting the scalability of PNL solutions. We introduce Approximate Neurosymbolic Inference (A-NeSI): a new framework for PNL that uses neural networks for scalable approximate inference. A-NeSI 1) performs approximate inference in polynomial time without changing the semantics of probabilistic logics; 2) is trained using data generated by the background knowledge; 3) can generate symbolic explanations of predictions; and 4) can guarantee the satisfaction of logical constraints at test time, which is vital in safety-critical applications. Our experiments show that A-NeSI is the first end-to-end method to solve three neurosymbolic tasks with exponential combinatorial scaling. Finally, our experiments show that A-NeSI achieves explainability and safety without a penalty in performance.

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 seek to improve deep neural networks by generalizing the pooling operations that play a central role in current architectures. We pursue a careful exploration of approaches to allow pooling to learn and to adapt to complex and variable patterns. The two primary directions lie in (1) learning a pooling function via (two strategies of) combining of max and average pooling, and (2) learning a pooling function in the form of a tree-structured fusion of pooling filters that are themselves learned. In our experiments every generalized pooling operation we explore improves performance when used in place of average or max pooling. We experimentally demonstrate that the proposed pooling operations provide a boost in invariance properties relative to conventional pooling and set the state of the art on several widely adopted benchmark datasets; they are also easy to implement, and can be applied within various deep neural network architectures. These benefits come with only a light increase in computational overhead during training and a very modest increase in the number of model parameters.

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.

We argue that the estimation of mutual information between high dimensional continuous random variables can be achieved by gradient descent over neural networks. We present a Mutual Information Neural Estimator (MINE) that is linearly scalable in dimensionality as well as in sample size, trainable through back-prop, and strongly consistent. We present a handful of applications on which MINE can be used to minimize or maximize mutual information. We apply MINE to improve adversarially trained generative models. We also use MINE to implement Information Bottleneck, applying it to supervised classification; our results demonstrate substantial improvement in flexibility and performance in these settings.

Inspired by Regularized Lottery Ticket Hypothesis (RLTH), which hypothesizes that there exist smooth (non-binary) subnetworks within a dense network that achieve the competitive performance of the dense network, we propose a few-shot class incremental learning (FSCIL) method referred to as Soft-SubNetworks (SoftNet). Our objective is to learn a sequence of sessions incrementally, where each session only includes a few training instances per class while preserving the knowledge of the previously learned ones. SoftNet jointly learns the model weights and adaptive non-binary soft masks at a base training session in which each mask consists of the major and minor subnetwork; the former aims to minimize catastrophic forgetting during training, and the latter aims to avoid overfitting to a few samples in each new training session. We provide comprehensive empirical validations demonstrating that our SoftNet effectively tackles the few-shot incremental learning problem by surpassing the performance of state-of-the-art baselines over benchmark datasets.

Many learning algorithms used as normative models in neuroscience or as candidate approaches for learning on neuromorphic chips learn by contrasting one set of network states with another. These Contrastive Learning (CL) algorithms are traditionally implemented with rigid, temporally non-local, and periodic learning dynamics that could limit the range of physical systems capable of harnessing CL. In this study, we build on recent work exploring how CL might be implemented by biological or neurmorphic systems and show that this form of learning can be made temporally local, and can still function even if many of the dynamical requirements of standard training procedures are relaxed. Thanks to a set of general theorems corroborated by numerical experiments across several CL models, our results provide theoretical foundations for the study and development of CL methods for biological and neuromorphic neural networks.

Using a nearly-frozen pretrained model, the continual representation learning paradigm reframes parameter updates as a similarity-matching problem to mitigate catastrophic forgetting. However, directly leveraging pretrained features for downstream tasks often suffers from multicollinearity in the similarity-matching stage, and more advanced methods can be computationally prohibitive for real-time, low-latency applications. Inspired by the fly olfactory circuit, we propose Fly-CL, a bio-inspired framework compatible with a wide range of pretrained backbones. Fly-CL substantially reduces training time while achieving performance comparable to or exceeding that of current state-of-the-art methods. We theoretically show how Fly-CL progressively resolves multicollinearity, enabling more effective similarity matching with low time complexity. Extensive simulation experiments across diverse network architectures and data regimes validate Fly-CL's effectiveness in addressing this challenge through a biologically inspired design. Code is available at https://github.com/gfyddha/Fly-CL.

Compositional understanding is crucial for human intelligence, yet it remains unclear whether contemporary vision models exhibit it. The dominant machine learning paradigm is built on the premise that scaling data and model sizes will improve out-of-distribution performance, including compositional generalization. We test this premise through controlled experiments that systematically vary data scale, concept diversity, and combination coverage. We find that compositional generalization is driven by data diversity, not mere data scale. Increased combinatorial coverage forces models to discover a linearly factored representational structure, where concepts decompose into additive components. We prove this structure is key to efficiency, enabling perfect generalization from few observed combinations. Evaluating pretrained models (DINO, CLIP), we find above-random yet imperfect performance, suggesting partial presence of this structure. Our work motivates stronger emphasis on constructing diverse datasets for compositional generalization, and considering the importance of representational structure that enables efficient compositional learning. Code available at https://github.com/oshapio/visual-compositional-generalization.

There are two widely known issues with properly training Recurrent Neural Networks, the vanishing and the exploding gradient problems detailed in Bengio et al. (1994). In this paper we attempt to improve the understanding of the underlying issues by exploring these problems from an analytical, a geometric and a dynamical systems perspective. Our analysis is used to justify a simple yet effective solution. We propose a gradient norm clipping strategy to deal with exploding gradients and a soft constraint for the vanishing gradients problem. We validate empirically our hypothesis and proposed solutions in the experimental section.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

In this paper we propose to study generalization of neural networks on small algorithmically generated datasets. In this setting, questions about data efficiency, memorization, generalization, and speed of learning can be studied in great detail. In some situations we show that neural networks learn through a process of "grokking" a pattern in the data, improving generalization performance from random chance level to perfect generalization, and that this improvement in generalization can happen well past the point of overfitting. We also study generalization as a function of dataset size and find that smaller datasets require increasing amounts of optimization for generalization. We argue that these datasets provide a fertile ground for studying a poorly understood aspect of deep learning: generalization of overparametrized neural networks beyond memorization of the finite training dataset.

This article does not propose any novel algorithm or new hardware for sparsity. Instead, it aims to serve the "common good" for the increasingly prosperous Sparse Neural Network (SNN) research community. We attempt to summarize some most common confusions in SNNs, that one may come across in various scenarios such as paper review/rebuttal and talks - many drawn from the authors' own bittersweet experiences! We feel that doing so is meaningful and timely, since the focus of SNN research is notably shifting from traditional pruning to more diverse and profound forms of sparsity before, during, and after training. The intricate relationships between their scopes, assumptions, and approaches lead to misunderstandings, for non-experts or even experts in SNNs. In response, we summarize ten Q\&As of SNNs from many key aspects, including dense vs. sparse, unstructured sparse vs. structured sparse, pruning vs. sparse training, dense-to-sparse training vs. sparse-to-sparse training, static sparsity vs. dynamic sparsity, before-training/during-training vs. post-training sparsity, and many more. We strive to provide proper and generically applicable answers to clarify those confusions to the best extent possible. We hope our summary provides useful general knowledge for people who want to enter and engage with this exciting community; and also provides some "mind of ease" convenience for SNN researchers to explain their work in the right contexts. At the very least (and perhaps as this article's most insignificant target functionality), if you are writing/planning to write a paper or rebuttal in the field of SNNs, we hope some of our answers could help you!

Large language models (LLMs) have demonstrated remarkable abilities in representation learning for program synthesis and understanding tasks. The quality of the learned representations appears to be dictated by the neural scaling laws as a function of the number of model parameters and observations, while imposing upper bounds on the model performance by the amount of available data and compute, which is costly. In this study, we attempt to render the training of LLMs for program synthesis more efficient by unifying four key components: (1) model architectures, (2) learning methods, (3) infill sampling, and, (4) data distributions. Specifically, for the model architecture, we attempt to unify encoder and decoder-based models into a single prefix-LM. For learning methods, (i) causal language modeling, (ii) span corruption, (iii) infilling are unified into a simple learning algorithm. For infill sampling, we explore the claim of a "free lunch" hypothesis. For data distributions, the effect of a mixture distribution of programming and natural languages on model performance is explored. We conduct a comprehensive series of empirical experiments on 1B LLMs, for which failures and successes of this exploration are distilled into four lessons. We will provide a final recipe for training and release CodeGen2 models in size 1B, 3.7B, 7B, and, 16B parameters, along with the training framework as open-source: https://github.com/salesforce/CodeGen2.

It is an important yet challenging setting to continually learn new tasks from a few examples. Although numerous efforts have been devoted to either continual learning or few-shot learning, little work has considered this new setting of few-shot continual learning (FSCL), which needs to minimize the catastrophic forgetting to the old tasks and gradually improve the ability of few-shot generalization. In this paper, we provide a first systematic study on FSCL and present an effective solution with deep neural networks. Our solution is based on the observation that continual learning of a task sequence inevitably interferes few-shot generalization, which makes it highly nontrivial to extend few-shot learning strategies to continual learning scenarios. We draw inspirations from the robust brain system and develop a method that (1) interdependently updates a pair of fast / slow weights for continual learning and few-shot learning to disentangle their divergent objectives, inspired by the biological model of meta-plasticity and fast / slow synapse; and (2) applies a brain-inspired two-step consolidation strategy to learn a task sequence without forgetting in the fast weights while improve generalization without overfitting in the slow weights. Extensive results on various benchmarks show that our method achieves a better performance than joint training of all the tasks ever seen. The ability of few-shot generalization is also substantially improved from incoming tasks and examples.

Given the variety of the visual world there is not one true scale for recognition: objects may appear at drastically different sizes across the visual field. Rather than enumerate variations across filter channels or pyramid levels, dynamic models locally predict scale and adapt receptive fields accordingly. The degree of variation and diversity of inputs makes this a difficult task. Existing methods either learn a feedforward predictor, which is not itself totally immune to the scale variation it is meant to counter, or select scales by a fixed algorithm, which cannot learn from the given task and data. We extend dynamic scale inference from feedforward prediction to iterative optimization for further adaptivity. We propose a novel entropy minimization objective for inference and optimize over task and structure parameters to tune the model to each input. Optimization during inference improves semantic segmentation accuracy and generalizes better to extreme scale variations that cause feedforward dynamic inference to falter.

In this paper, we construct a mixture of neural operators (MoNOs) between function spaces whose complexity is distributed over a network of expert neural operators (NOs), with each NO satisfying parameter scaling restrictions. Our main result is a distributed universal approximation theorem guaranteeing that any Lipschitz non-linear operator between L^2([0,1]^d) spaces can be approximated uniformly over the Sobolev unit ball therein, to any given varepsilon>0 accuracy, by an MoNO while satisfying the constraint that: each expert NO has a depth, width, and rank of O(varepsilon^{-1}). Naturally, our result implies that the required number of experts must be large, however, each NO is guaranteed to be small enough to be loadable into the active memory of most computers for reasonable accuracies varepsilon. During our analysis, we also obtain new quantitative expression rates for classical NOs approximating uniformly continuous non-linear operators uniformly on compact subsets of L^2([0,1]^d).

Gradient descent has proven to be a powerful and effective technique for optimization in numerous machine learning applications. Recent advances in computational neuroscience have shown that learning in standard gradient descent optimization formulation is not consistent with learning in biological systems. This has opened up interesting avenues for building biologically inspired learning techniques. One such approach is inspired by Dale's law, which states that inhibitory and excitatory synapses do not swap roles during the course of learning. The resulting exponential gradient descent optimization scheme leads to log-normally distributed synaptic weights. Interestingly, the density that satisfies the Fokker-Planck equation corresponding to the stochastic differential equation (SDE) with geometric Brownian motion (GBM) is the log-normal density. Leveraging this connection, we start with the SDE governing geometric Brownian motion, and show that discretizing the corresponding reverse-time SDE yields a multiplicative update rule, which surprisingly, coincides with the sampling equivalent of the exponential gradient descent update founded on Dale's law. Furthermore, we propose a new formalism for multiplicative denoising score-matching, subsuming the loss function proposed by Hyvaerinen for non-negative data. Indeed, log-normally distributed data is positive and the proposed score-matching formalism turns out to be a natural fit. This allows for training of score-based models for image data and results in a novel multiplicative update scheme for sample generation starting from a log-normal density. Experimental results on MNIST, Fashion MNIST, and Kuzushiji datasets demonstrate generative capability of the new scheme. To the best of our knowledge, this is the first instance of a biologically inspired generative model employing multiplicative updates, founded on geometric Brownian motion.

We initiate a principled study of algorithmic collective action on digital platforms that deploy machine learning algorithms. We propose a simple theoretical model of a collective interacting with a firm's learning algorithm. The collective pools the data of participating individuals and executes an algorithmic strategy by instructing participants how to modify their own data to achieve a collective goal. We investigate the consequences of this model in three fundamental learning-theoretic settings: the case of a nonparametric optimal learning algorithm, a parametric risk minimizer, and gradient-based optimization. In each setting, we come up with coordinated algorithmic strategies and characterize natural success criteria as a function of the collective's size. Complementing our theory, we conduct systematic experiments on a skill classification task involving tens of thousands of resumes from a gig platform for freelancers. Through more than two thousand model training runs of a BERT-like language model, we see a striking correspondence emerge between our empirical observations and the predictions made by our theory. Taken together, our theory and experiments broadly support the conclusion that algorithmic collectives of exceedingly small fractional size can exert significant control over a platform's learning algorithm.

A key challenge in neural architecture search (NAS) is quickly inferring the predictive performance of a broad spectrum of networks to discover statistically accurate and computationally efficient ones. We refer to this task as model performance inference (MPI). The current practice for efficient MPI is gradient-based methods that leverage the gradients of a network at initialization to infer its performance. However, existing gradient-based methods rely only on heuristic metrics and lack the necessary theoretical foundations to consolidate their designs. We propose GradSign, an accurate, simple, and flexible metric for model performance inference with theoretical insights. The key idea behind GradSign is a quantity {\Psi} to analyze the optimization landscape of different networks at the granularity of individual training samples. Theoretically, we show that both the network's training and true population losses are proportionally upper-bounded by {\Psi} under reasonable assumptions. In addition, we design GradSign, an accurate and simple approximation of {\Psi} using the gradients of a network evaluated at a random initialization state. Evaluation on seven NAS benchmarks across three training datasets shows that GradSign generalizes well to real-world networks and consistently outperforms state-of-the-art gradient-based methods for MPI evaluated by Spearman's {\rho} and Kendall's Tau. Additionally, we integrate GradSign into four existing NAS algorithms and show that the GradSign-assisted NAS algorithms outperform their vanilla counterparts by improving the accuracies of best-discovered networks by up to 0.3%, 1.1%, and 1.0% on three real-world tasks.

This paper introduces a new learning paradigm termed Neural Metamorphosis (NeuMeta), which aims to build self-morphable neural networks. Contrary to crafting separate models for different architectures or sizes, NeuMeta directly learns the continuous weight manifold of neural networks. Once trained, we can sample weights for any-sized network directly from the manifold, even for previously unseen configurations, without retraining. To achieve this ambitious goal, NeuMeta trains neural implicit functions as hypernetworks. They accept coordinates within the model space as input, and generate corresponding weight values on the manifold. In other words, the implicit function is learned in a way, that the predicted weights is well-performed across various models sizes. In training those models, we notice that, the final performance closely relates on smoothness of the learned manifold. In pursuit of enhancing this smoothness, we employ two strategies. First, we permute weight matrices to achieve intra-model smoothness, by solving the Shortest Hamiltonian Path problem. Besides, we add a noise on the input coordinates when training the implicit function, ensuring models with various sizes shows consistent outputs. As such, NeuMeta shows promising results in synthesizing parameters for various network configurations. Our extensive tests in image classification, semantic segmentation, and image generation reveal that NeuMeta sustains full-size performance even at a 75% compression rate.

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

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

Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.

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.

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.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

A promising approach for teaching artificial agents to use natural language involves using human-in-the-loop training. However, recent work suggests that current machine learning methods are too data inefficient to be trained in this way from scratch. In this paper, we investigate the relationship between two categories of learning signals with the ultimate goal of improving sample efficiency: imitating human language data via supervised learning, and maximizing reward in a simulated multi-agent environment via self-play (as done in emergent communication), and introduce the term supervised self-play (S2P) for algorithms using both of these signals. We find that first training agents via supervised learning on human data followed by self-play outperforms the converse, suggesting that it is not beneficial to emerge languages from scratch. We then empirically investigate various S2P schedules that begin with supervised learning in two environments: a Lewis signaling game with symbolic inputs, and an image-based referential game with natural language descriptions. Lastly, we introduce population based approaches to S2P, which further improves the performance over single-agent methods.

We investigate the design of pooling methods used to summarize the outputs of transformer embedding models, primarily motivated by reinforcement learning and vision applications. This work considers problems where a subset of the input vectors contains requisite information for a downstream task (signal) while the rest are distractors (noise). By framing pooling as vector quantization with the goal of minimizing signal loss, we demonstrate that the standard methods used to aggregate transformer outputs, AvgPool, MaxPool, and ClsToken, are vulnerable to performance collapse as the signal-to-noise ratio (SNR) of inputs fluctuates. We then show that an attention-based adaptive pooling method can approximate the signal-optimal vector quantizer within derived error bounds for any SNR. Our theoretical results are first validated by supervised experiments on a synthetic dataset designed to isolate the SNR problem, then generalized to standard relational reasoning, multi-agent reinforcement learning, and vision benchmarks with noisy observations, where transformers with adaptive pooling display superior robustness across tasks.

Many recent works have discussed the propensity, or lack thereof, for emergent languages to exhibit properties of natural languages. A favorite in the literature is learning compositionality. We note that most of those works have focused on communicative bandwidth as being of primary importance. While important, it is not the only contributing factor. In this paper, we investigate the learning biases that affect the efficacy and compositionality of emergent languages. Our foremost contribution is to explore how capacity of a neural network impacts its ability to learn a compositional language. We additionally introduce a set of evaluation metrics with which we analyze the learned languages. Our hypothesis is that there should be a specific range of model capacity and channel bandwidth that induces compositional structure in the resulting language and consequently encourages systematic generalization. While we empirically see evidence for the bottom of this range, we curiously do not find evidence for the top part of the range and believe that this is an open question for the community.

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.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

Evolution, the engine behind the survival and growth of life on Earth, operates through the population-based process of reproduction. Inspired by this principle, this paper formally defines a newly emerging problem -- the population-based evolution of large language models (LLMs) -- and introduces a novel framework. Starting with a population of parent LLMs, our framework enables the population to evolve through four key operations: (i) crossover, merging the weights of different parents to create offspring LLMs, (ii) mutation, introducing small, random changes to model weights to foster diversity, (iii) selection, prioritizing high-performing models, and (iv) succession, transferring the learned experience from parent to offspring LLMs. With only 200 samples per new task, the LLM population evolves rapidly to adapt to the task at hand, without any gradients. Experiments on 12 datasets show that our framework consistently outperforms existing multi-LLM merging and adaptation methods, achieving accuracy gains of up to 54.8% over the best LLM in the initial population. Moreover, our framework allows for the evolution of LLMs across multiple new tasks simultaneously, scaling effectively with populations of up to 40 LLMs, and even zero-shot generalization to unseen held-out tasks. We have open-sourced the code on GitHub and released the weights of 10 parent LLMs, fine-tuned from gemma-2-2b-it, on HuggingFace$, enabling reproduction of our proposed framework using just a single 4090 GPU with 24GB memory, without any performance degradation.

In variational inference, the benefits of Bayesian models rely on accurately capturing the true posterior distribution. We propose using neural samplers that specify implicit distributions, which are well-suited for approximating complex multimodal and correlated posteriors in high-dimensional spaces. Our approach introduces novel bounds for approximate inference using implicit distributions by locally linearising the neural sampler. This is distinct from existing methods that rely on additional discriminator networks and unstable adversarial objectives. Furthermore, we present a new sampler architecture that, for the first time, enables implicit distributions over tens of millions of latent variables, addressing computational concerns by using differentiable numerical approximations. We empirically show that our method is capable of recovering correlations across layers in large Bayesian neural networks, a property that is crucial for a network's performance but notoriously challenging to achieve. To the best of our knowledge, no other method has been shown to accomplish this task for such large models. Through experiments in downstream tasks, we demonstrate that our expressive posteriors outperform state-of-the-art uncertainty quantification methods, validating the effectiveness of our training algorithm and the quality of the learned implicit approximation.

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.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.

We marry ideas from deep neural networks and approximate Bayesian inference to derive a generalised class of deep, directed generative models, endowed with a new algorithm for scalable inference and learning. Our algorithm introduces a recognition model to represent approximate posterior distributions, and that acts as a stochastic encoder of the data. We develop stochastic back-propagation -- rules for back-propagation through stochastic variables -- and use this to develop an algorithm that allows for joint optimisation of the parameters of both the generative and recognition model. We demonstrate on several real-world data sets that the model generates realistic samples, provides accurate imputations of missing data and is a useful tool for high-dimensional data visualisation.

In this work, we consider the optimization process of minibatch stochastic gradient descent (SGD) on a 2-layer neural network with data separated by a quadratic ground truth function. We prove that with data drawn from the d-dimensional Boolean hypercube labeled by the quadratic ``XOR'' function y = -x_ix_j, it is possible to train to a population error o(1) with d :polylog(d) samples. Our result considers simultaneously training both layers of the two-layer-neural network with ReLU activations via standard minibatch SGD on the logistic loss. To our knowledge, this work is the first to give a sample complexity of O(d) for efficiently learning the XOR function on isotropic data on a standard neural network with standard training. Our main technique is showing that the network evolves in two phases: a signal-finding phase where the network is small and many of the neurons evolve independently to find features, and a signal-heavy phase, where SGD maintains and balances the features. We leverage the simultaneous training of the layers to show that it is sufficient for only a small fraction of the neurons to learn features, since those neurons will be amplified by the simultaneous growth of their second layer weights.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

Neurosymbolic (NeSy) frameworks combine neural representations and learning with symbolic representations and reasoning. Combining the reasoning capacities, explainability, and interpretability of symbolic processing with the flexibility and power of neural computing allows us to solve complex problems with more reliability while being data-efficient. However, this recently growing topic poses a challenge to developers with its learning curve, lack of user-friendly tools, libraries, and unifying frameworks. In this paper, we characterize the technical facets of existing NeSy frameworks, such as the symbolic representation language, integration with neural models, and the underlying algorithms. A majority of the NeSy research focuses on algorithms instead of providing generic frameworks for declarative problem specification to leverage problem solving. To highlight the key aspects of Neurosymbolic modeling, we showcase three generic NeSy frameworks - DeepProbLog, Scallop, and DomiKnowS. We identify the challenges within each facet that lay the foundation for identifying the expressivity of each framework in solving a variety of problems. Building on this foundation, we aim to spark transformative action and encourage the community to rethink this problem in novel ways.

The Bayesian treatment of neural networks dictates that a prior distribution is specified over their weight and bias parameters. This poses a challenge because modern neural networks are characterized by a large number of parameters, and the choice of these priors has an uncontrolled effect on the induced functional prior, which is the distribution of the functions obtained by sampling the parameters from their prior distribution. We argue that this is a hugely limiting aspect of Bayesian deep learning, and this work tackles this limitation in a practical and effective way. Our proposal is to reason in terms of functional priors, which are easier to elicit, and to "tune" the priors of neural network parameters in a way that they reflect such functional priors. Gaussian processes offer a rigorous framework to define prior distributions over functions, and we propose a novel and robust framework to match their prior with the functional prior of neural networks based on the minimization of their Wasserstein distance. We provide vast experimental evidence that coupling these priors with scalable Markov chain Monte Carlo sampling offers systematically large performance improvements over alternative choices of priors and state-of-the-art approximate Bayesian deep learning approaches. We consider this work a considerable step in the direction of making the long-standing challenge of carrying out a fully Bayesian treatment of neural networks, including convolutional neural networks, a concrete possibility.

Self-replication is a key aspect of biological life that has been largely overlooked in Artificial Intelligence systems. Here we describe how to build and train self-replicating neural networks. The network replicates itself by learning to output its own weights. The network is designed using a loss function that can be optimized with either gradient-based or non-gradient-based methods. We also describe a method we call regeneration to train the network without explicit optimization, by injecting the network with predictions of its own parameters. The best solution for a self-replicating network was found by alternating between regeneration and optimization steps. Finally, we describe a design for a self-replicating neural network that can solve an auxiliary task such as MNIST image classification. We observe that there is a trade-off between the network's ability to classify images and its ability to replicate, but training is biased towards increasing its specialization at image classification at the expense of replication. This is analogous to the trade-off between reproduction and other tasks observed in nature. We suggest that a self-replication mechanism for artificial intelligence is useful because it introduces the possibility of continual improvement through natural selection.

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

We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query (KQ) weights, and a last-entry-only and zero-sum pattern in the output-value (OV) weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor -- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. Furthermore, compared to linear transformers, the softmax attention readily generalizes to sequences longer than those seen during training. We also extend our study to scenarios with non-isotropic covariates and multi-task linear regression. In the former, multi-head attention learns to implement a form of pre-conditioned gradient descent. In the latter, we uncover an intriguing regime where the interplay between head number and task number triggers a superposition phenomenon that efficiently resolves multi-task in-context learning. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.

Memory footprint is one of the main limiting factors for large neural network training. In backpropagation, one needs to store the input to each operation in the computational graph. Every modern neural network model has quite a few pointwise nonlinearities in its architecture, and such operation induces additional memory costs which -- as we show -- can be significantly reduced by quantization of the gradients. We propose a systematic approach to compute optimal quantization of the retained gradients of the pointwise nonlinear functions with only a few bits per each element. We show that such approximation can be achieved by computing optimal piecewise-constant approximation of the derivative of the activation function, which can be done by dynamic programming. The drop-in replacements are implemented for all popular nonlinearities and can be used in any existing pipeline. We confirm the memory reduction and the same convergence on several open benchmarks.

Even when massively overparameterized, deep neural networks show a remarkable ability to generalize. Research on this phenomenon has focused on generalization within distribution, via smooth interpolation. Yet in some settings neural networks also learn to extrapolate to data far beyond the bounds of the original training set, sometimes even allowing for infinite generalization, implying that an algorithm capable of solving the task has been learned. Here we undertake a case study of the learning dynamics of recurrent neural networks (RNNs) trained on the streaming parity task in order to develop an effective theory of algorithm development. The streaming parity task is a simple but nonlinear task defined on sequences up to arbitrary length. We show that, with sufficient finite training experience, RNNs exhibit a phase transition to perfect infinite generalization. Using an effective theory for the representational dynamics, we find an implicit representational merger effect which can be interpreted as the construction of a finite automaton that reproduces the task. Overall, our results disclose one mechanism by which neural networks can generalize infinitely from finite training experience.

Catastrophic forgetting in neural networks is a significant problem for continual learning. A majority of the current methods replay previous data during training, which violates the constraints of an ideal continual learning system. Additionally, current approaches that deal with forgetting ignore the problem of catastrophic remembering, i.e. the worsening ability to discriminate between data from different tasks. In our work, we introduce Relevance Mapping Networks (RMNs) which are inspired by the Optimal Overlap Hypothesis. The mappings reflects the relevance of the weights for the task at hand by assigning large weights to essential parameters. We show that RMNs learn an optimized representational overlap that overcomes the twin problem of catastrophic forgetting and remembering. Our approach achieves state-of-the-art performance across all common continual learning datasets, even significantly outperforming data replay methods while not violating the constraints for an ideal continual learning system. Moreover, RMNs retain the ability to detect data from new tasks in an unsupervised manner, thus proving their resilience against catastrophic remembering.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

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.

Dynamical generative models that produce samples through an iterative process, such as Flow Matching and denoising diffusion models, have seen widespread use, but there have not been many theoretically-sound methods for improving these models with reward fine-tuning. In this work, we cast reward fine-tuning as stochastic optimal control (SOC). Critically, we prove that a very specific memoryless noise schedule must be enforced during fine-tuning, in order to account for the dependency between the noise variable and the generated samples. We also propose a new algorithm named Adjoint Matching which outperforms existing SOC algorithms, by casting SOC problems as a regression problem. We find that our approach significantly improves over existing methods for reward fine-tuning, achieving better consistency, realism, and generalization to unseen human preference reward models, while retaining sample diversity.

The ability of deep neural networks to generalise well even when they interpolate their training data has been explained using various "simplicity biases". These theories postulate that neural networks avoid overfitting by first learning simple functions, say a linear classifier, before learning more complex, non-linear functions. Meanwhile, data structure is also recognised as a key ingredient for good generalisation, yet its role in simplicity biases is not yet understood. Here, we show that neural networks trained using stochastic gradient descent initially classify their inputs using lower-order input statistics, like mean and covariance, and exploit higher-order statistics only later during training. We first demonstrate this distributional simplicity bias (DSB) in a solvable model of a neural network trained on synthetic data. We empirically demonstrate DSB in a range of deep convolutional networks and visual transformers trained on CIFAR10, and show that it even holds in networks pre-trained on ImageNet. We discuss the relation of DSB to other simplicity biases and consider its implications for the principle of Gaussian universality in learning.

Despite being trained specifically to follow user instructions, today's instructiontuned language models perform poorly when instructed to produce random outputs. For example, when prompted to pick a number uniformly between one and ten Llama-2-13B-chat disproportionately favors the number five, and when tasked with picking a first name at random, Mistral-7B-Instruct chooses Avery 40 times more often than we would expect based on the U.S. population. When these language models are used for real-world tasks where diversity of outputs is crucial, such as language model assisted dataset construction, their inability to produce diffuse distributions over valid choices is a major hurdle. In this work, we propose a fine-tuning method that encourages language models to output distributions that are diffuse over valid outcomes. The methods we introduce generalize across a variety of tasks and distributions and make large language models practical for synthetic dataset generation with little human intervention.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states or transitions, or propagate a reward signal over an entire sampling trajectory. We argue that these alternatives represent opposite ends of a gradient bias-variance tradeoff and propose a way to exploit this tradeoff to mitigate its harmful effects. Inspired by the TD(lambda) algorithm in reinforcement learning, we introduce subtrajectory balance or SubTB(lambda), a GFlowNet training objective that can learn from partial action subsequences of varying lengths. We show that SubTB(lambda) accelerates sampler convergence in previously studied and new environments and enables training GFlowNets in environments with longer action sequences and sparser reward landscapes than what was possible before. We also perform a comparative analysis of stochastic gradient dynamics, shedding light on the bias-variance tradeoff in GFlowNet training and the advantages of subtrajectory balance.

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

Neural network training relies on our ability to find "good" minimizers of highly non-convex loss functions. It is well-known that certain network architecture designs (e.g., skip connections) produce loss functions that train easier, and well-chosen training parameters (batch size, learning rate, optimizer) produce minimizers that generalize better. However, the reasons for these differences, and their effects on the underlying loss landscape, are not well understood. In this paper, we explore the structure of neural loss functions, and the effect of loss landscapes on generalization, using a range of visualization methods. First, we introduce a simple "filter normalization" method that helps us visualize loss function curvature and make meaningful side-by-side comparisons between loss functions. Then, using a variety of visualizations, we explore how network architecture affects the loss landscape, and how training parameters affect the shape of minimizers.