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 Statistical Learning


Addressing Spatial-Temporal Heterogeneity: General Mixed Time Series Analysis via Latent Continuity Recovery and Alignment

Neural Information Processing Systems

Mixed time series (MiTS) comprising both continuous variables (CVs) and discrete variables (DVs) are frequently encountered yet under-explored in time series analysis. Overlooking these heterogeneities would lead to insufficient and imbalanced representation learning, bringing biased results. This paper addresses the problem with two insights: 1) DVs may originate from intrinsic latent continuous variables (LCVs), which lose fine-grained information due to extrinsic discretization; 2) LCVs and CVs share similar temporal patterns and interact spatially. Considering these similarities and interactions, we propose a general MiTS analysis framework MiTSformer, which recovers LCVs behind DVs for sufficient and balanced spatial-temporal modeling by designing two essential inductive biases: 1) hierarchically aggregating multi-scale temporal context information to enrich the information granularity of DVs; 2) adaptively learning the aggregation processes via the adversarial guidance from CVs. Subsequently, MiTSformer captures complete spatial-temporal dependencies within and across LCVs and CVs via cascaded self- and cross-attention blocks.


An Even More Optimal Stochastic Optimization Algorithm: Minibatching and Interpolation Learning

Neural Information Processing Systems

We present and analyze an algorithm for optimizing smooth and convex or strongly convex objectives using minibatch stochastic gradient estimates. The algorithm is optimal with respect to its dependence on both the minibatch size and minimum expected loss simultaneously. This improves over the optimal method of Lan, which is insensitive to the minimum expected loss; over the optimistic acceleration of Cotter et al., which has suboptimal dependence on the minibatch size; and over the algorithm of Liu and Belkin, which is limited to least squares problems and is also similarly suboptimal.


Banded Square Root Matrix Factorization for Differentially Private Model Training

Neural Information Processing Systems

Current state-of-the-art methods for differentially private model training are based on matrix factorization techniques. However, these methods suffer from high computational overhead because they require numerically solving a demanding optimization problem to determine an approximately optimal factorization prior to the actual model training. In this work, we present a new matrix factorization approach, BSR, which overcomes this computational bottleneck. By exploiting properties of the standard matrix square root, BSR allows to efficiently handle also large-scale problems. For the key scenario of stochastic gradient descent with momentum and weight decay, we even derive analytical expressions for BSR that render the computational overhead negligible.


ESPACE: Dimensionality Reduction of Activations for Model Compression

Neural Information Processing Systems

We propose ESPACE, an LLM compression technique based on dimensionality reduction of activations. Unlike prior works on weight-centric tensor decomposition, ESPACE projects activations onto a pre-calibrated set of principal components. The activation-centrality of the approach enables retraining LLMs with no loss of expressivity; while at inference, weight decomposition is obtained as a byproduct of matrix multiplication associativity. Theoretical results on the construction of projection matrices with optimal computational accuracy are provided. Experimentally, we find ESPACE enables 50% compression of GPT3, Llama2, and Nemotron4 models with small accuracy degradation, as low as a 0.18 perplexity increase on GPT3-22B.


Implicit Regularization of Decentralized Gradient Descent for Sparse Regression

Neural Information Processing Systems

We consider learning a sparse model from linear measurements taken by a network of agents. Different from existing decentralized methods designed based on the LASSO regression with explicit \ell_1 norm regularization, we exploit the implicit regularization of decentralized optimization method applied to an over-parameterized nonconvex least squares formulation without penalization. Our first result shows that despite nonconvexity, if the network connectivity is good, the well-known decentralized gradient descent algorithm (DGD) with small initialization and early stopping can compute the statistically optimal solution. Sufficient conditions on the initialization scale, choice of step size, network connectivity, and stopping time are further provided to achieve convergence. Our result recovers the convergence rate of gradient descent in the centralized setting, showing its tightness.


4+3 Phases of Compute-Optimal Neural Scaling Laws

Neural Information Processing Systems

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. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features.


Improving Linear System Solvers for Hyperparameter Optimisation in Iterative Gaussian Processes

Neural Information Processing Systems

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to 72\times when solving to tolerance, and decrease the average residual norm by up to 7\times when stopping early.


No Train, all Gain: Self-Supervised Gradients Improve Deep Frozen Representations

Neural Information Processing Systems

This paper introduces FUNGI, Features from UNsupervised GradIents, a method to enhance the features of transformer encoders by leveraging self-supervised gradients. Our method is simple: given any pretrained model, we first compute gradients from various self-supervised objectives for each input. These gradients are projected to a lower dimension and then concatenated with the model's output embedding. The resulting features are evaluated on k-nearest neighbor classification over 11 datasets from vision, 5 from natural language processing, and 2 from audio. Across backbones spanning various sizes and pretraining strategies, FUNGI features provide consistent performance improvements over the embeddings.


The Implicit Bias of Heterogeneity towards Invariance: A Study of Multi-Environment Matrix Sensing

Neural Information Processing Systems

Models are expected to engage in invariance learning, which involves distinguishing the core relations that remain consistent across varying environments to ensure the predictions are safe, robust and fair. While existing works consider specific algorithms to realize invariance learning, we show that model has the potential to learn invariance through standard training procedures. In other words, this paper studies the implicit bias of Stochastic Gradient Descent (SGD) over heterogeneous data and shows that the implicit bias drives the model learning towards an invariant solution. We call the phenomenon the implicit invariance learning. Specifically, we theoretically investigate the multi-environment low-rank matrix sensing problem where in each environment, the signal comprises (i) a lower-rank invariant part shared across all environments; and (ii) a significantly varying environment-dependent spurious component. The key insight is, through simply employing the large step size large-batch SGD sequentially in each environment without any explicit regularization, the oscillation caused by heterogeneity can provably prevent model learning spurious signals.


Directional Smoothness and Gradient Methods: Convergence and Adaptivity

Neural Information Processing Systems

We develop new sub-optimality bounds for gradient descent (GD) that depend on the conditioning of the objective along the path of optimization, rather than on global, worst-case constants. Key to our proofs is directional smoothness, a measure of gradient variation that we use to develop upper-bounds on the objective. Minimizing these upper-bounds requires solving implicit equations to obtain a sequence of strongly adapted step-sizes; we show that these equations are straightforward to solve for convex quadratics and lead to new guarantees for two classical step-sizes. For general functions, we prove that the Polyak step-size and normalized GD obtain fast, path-dependent rates despite using no knowledge of the directional smoothness. Experiments on logistic regression show our convergence guarantees are tighter than the classical theory based on L -smoothness.