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Random Search Neural Networks for Efficient and Expressive Graph Learning

Neural Information Processing Systems

Random walk neural networks (RWNNs) have emerged as a promising approach for graph representation learning, leveraging recent advances in sequence models to process random walks. However, under realistic sampling constraints, RWNNs often fail to capture global structure even in small graphs due to incomplete node and edge coverage, limiting their expressivity. To address this, we propose \textit{random search neural networks} (RSNNs), which operate on random searches, each of which guarantees full node coverage. Theoretically, we demonstrate that in sparse graphs, only $O(\log |V|)$ searches are needed to achieve full edge coverage, substantially reducing sampling complexity compared to the $O(|V|)$ walks required by RWNNs (assuming walk lengths scale with graph size). Furthermore, when paired with universal sequence models, RSNNs are universal approximators. We lastly show RSNNs are probabilistically invariant to graph isomorphisms, ensuring their expectation is an isomorphism-invariant graph function. Empirically, RSNNs consistently outperform RWNNs on molecular and protein benchmarks, achieving comparable or superior performance with up to 16$\times$ fewer sampled sequences. Our work bridges theoretical and practical advances in random walk based approaches, offering an efficient and expressive framework for learning on sparse graphs.


Flow Equivariant Recurrent Neural Networks

Neural Information Processing Systems

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of'flows' - one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.



Flow Equivariant Recurrent Neural Networks

Neural Information Processing Systems

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of'flows' -- one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.


Nested Learning: The Illusion of Deep Learning Architectures

Neural Information Processing Systems

Over the last decades, developing more powerful neural architectures and simultaneously designing optimization algorithms to effectively train them have been the core of research efforts to enhance the capability of machine learning models. Despite the recent progresses, particularly in developing Language Models (LMs), there are fundamental challenges and unanswered questions about how such models can continually learn/memorize, self-improved, and find ''effective solutions,''. In this paper, we present a new learning paradigm, called Nested Learning (NL), that coherently represents a model with a set of nested, multi-level, and/or parallel optimization problems, each of which with its own ''context flow''. NL reveals that existing deep learning methods learns from data through \emph{compressing} their own context flow, and explain how in-context learning emerges in large models. NL suggests a path (a new dimension to deep learning) to design more expressive learning algorithms with more ''levels'', resulting in higher-order in-context learning abilities. In addition to its neuroscientifically plausible and mathematically white-box nature, we advocate for its importance by presenting three core contributions: (1) Deep Optimizers: Based on NL, we show that well-known gradient-based optimizers (e.g., Adam, SGD with Momentum, etc.) are in fact associative memory modules that aim to compress the gradients with gradient descent. Building on this insight, we present a set of more expressive optimizers with deep memory and/or more powerful learning rules; (2) Self-Modifying Titans: Taking advantage of NL's insights on learning algorithms, we present a novel sequence model that learns how to modify itself by learning its own update algorithm; and (3) Continuum Memory System: We present a new formulation for memory system that generalizes the traditional viewpoint of ``long-term/short-term memory''. Combining our self-modifying sequence model with the continuum memory system, we present a learning module, called Hope, showing promising results in language modeling, continual learning, and long-context reasoning tasks.


Mamba-Assisted Non-Markovian Closure for Reduced-Order Modeling

arXiv.org Machine Learning

Reduced-order modeling of high-dimensional dynamical systems is often hindered by the non-Markovian closure term that represents the effect of unresolved variables on the resolved dynamics. Inspired by the Mori--Zwanzig formalism, in which the closure takes the form of a memory functional of the resolved trajectory, we recast closure modeling as a sequence modeling problem and propose the Mamba-Assisted Closure (MAC) framework: a Mamba-based sequence model, trained to predict the closure from the resolved trajectory, is coupled with the reduced-order governing equations through a numerical integrator to advance the resolved variables in time. A key feature of the framework is its exploitation of the dual representation of state-space models -- the model is trained in a sequence-to-sequence fashion via the convolutional form, and deployed for step-by-step autoregressive rollout via the recurrent form, yielding both efficient long-trajectory training and constant per-step inference cost. On the viscous Burgers' equation and the chaotic two-scale Lorenz '96 system, the MAC model substantially outperforms the Markovian reduced-order model, the GRU-based sequence model, and the Wilks method in predictive accuracy and long-time rollout stability.




Revealing and Protecting Labels in Distributed Training

Neural Information Processing Systems

Distributed learning paradigms such as federated learning often involve transmission of model updates, or gradients, over a network, thereby avoiding transmission of private data. However, it is possible for sensitive information about the training data to be revealed from such gradients. Prior works have demonstrated that labels can be revealed analytically from the last layer of certain models (e.g., ResNet), or they can be reconstructed jointly with model inputs by using Gradients Matching [1] with additional knowledge about the current state of the model. In this work, we propose a method to discover the set of labels of training samples from only the gradient of the last layer and the id to label mapping. Our method is applicable to a wide variety of model architectures across multiple domains. We demonstrate the effectiveness of our method for model training in two domains - image classification, and automatic speech recognition. Furthermore, we show that existing reconstruction techniques improve their efficacy when used in conjunction with our method. Conversely, we demonstrate that gradient quantization and sparsification can significantly reduce the success of the attack.


Hydra: Bidirectional State Space Models Through Generalized Matrix Mixers

Neural Information Processing Systems

A wide array of sequence models are built on a framework modeled after Transformers, comprising alternating sequence mixer and channel mixer layers. This paper studies a unifying view of sequence mixers that can be conceptualized as a linear map on the input sequence. This framework encompasses a broad range of well-known sequence models, including the self-attention of Transformers as well as recent strong alternatives such as structured state space models (SSMs), and allows understanding downstream characteristics such as efficiency and expressivity through properties of their structured matrix class. We identify a key axis of matrix parameterizations termed, which increases the flexibility and performance of matrix mixers, providing insights into the strong performance of Transformers and recent SSMs such as Mamba. Furthermore, the matrix mixer framework offers a systematic approach to developing sequence mixers with desired properties, allowing us to develop several new sub-quadratic sequence models.