87 accepted papers
We present ProbHardE2E, a probabilistic forecasting framework that incorporates hard operational/physical constraints and provides uncertainty quantification. Our methodology uses a novel differentiable probabilistic projection layer (DPPL) that can be combined with a wide range of neural network ar…
Real objects that inhabit the physical world follow physical laws and thus behave plausibly during interaction with other physical objects. However, current methods that perform 3D reconstructions of real-world scenes from multi-view 2D images optimize primarily for visual fidelity, i.e., they train
A core challenge in scientific machine learning, and scientific computing more generally, is modeling continuous phenomena which (in practice) are represented discretely. Machine-learned operators (MLO) have been introduced as a means to achieve this modeling goal, as this class of architecture can…
Physics-informed machine learning (PIML) integrates prior physical information, often in the form of differential equation constraints, into the process of fitting ML models to physical data. Popular PIML approaches, including neural operators, physics-informed neural networks, and neural ordinary d…
Transformers are widely used across data modalities, and yet the principles distilled from text models often transfer imperfectly. In this paper, we analyze Transformers through the lens of rank structure. Our focus is on the time series setting, where the structural properties of the data remarkabl…
Time series foundation models (TSFMs) are a potential class of powerful, general-purpose tools for forecasting and related temporal tasks, but their behavior is strongly shaped by subtle inductive biases in their design. Rather than developing a new model and claiming that it is better than existin…
Zero-shot time-series forecasting holds great promise, but is still in its infancy, hindered by limited and biased data corpora, leakage-prone evaluation, and privacy and licensing constraints. We propose the first practical univariate time-series simulation pipeline, which is simultaneously fast en…
Large language models (LLMs) have transformed natural language processing, with frameworks like Chatbot Arena providing pioneering platforms for evaluating these models. By facilitating millions of pairwise comparisons based on human judgments, Chatbot Arena has become a cornerstone in LLM evaluatio…
Calculating or accurately estimating log-determinants of large positive semi-definite matrices is of fundamental importance in many machine learning tasks. While its cubic computational complexity can already be prohibitive, in modern applications even storing the matrices themselves can pose a memo…
How to best develop foundational models for time series forecasting remains an important open question. Tokenization is a crucial consideration in this effort: what is an effective discrete vocabulary for a real-valued sequential input? To address this question, we develop WaveToken, a wavelet-based…
A substantial body of work in machine learning (ML) and randomized numerical linear algebra (RandNLA) has exploited various sorts of random sketching methodologies, including random sampling and random projection, with much of the analysis using Johnson--Lindenstrauss and subspace embedding techniqu…
In this paper, we present a novel approach to modeling long-term dependencies in sequential data by introducing a gated recurrent unit (GRU) with a weighted time-delay feedback mechanism. Our proposed model, named $\tau$-GRU, is a discretized version of a continuous-time formulation of a recurrent u…
Generative models that satisfy hard constraints are critical in many scientific and engineering applications, where physical laws or system requirements must be strictly respected. Many existing constrained generative models, especially those developed for computer vision, rely heavily on gradient i…
State-space models (SSMs) that utilize linear, time-invariant (LTI) systems are known for their effectiveness in learning long sequences. To achieve state-of-the-art performance, an SSM often needs a specifically designed initialization, and the training of state matrices is on a logarithmic scale w…
Language models (LMs) can “memorize” information, i.e., encode training data in their weights in such a way that inference-time queries can lead to verbatim regurgitation of that data. This ability to extract training data can be problematic, for example, when data are private or sensitive. In this…
Since the seminal work of TabPFN, research on tabular foundation models (TFMs) based on in-context learning (ICL) has challenged long-standing paradigms in machine learning. Without seeing any real-world data, models pretrained on purely synthetic datasets generalize remarkably well across diverse d…
Recent theoretical and empirical successes in deep learning, including the celebrated neural scaling laws, are punctuated by the observation that many objects of interest tend to exhibit some form of heavy-tailed or power law behavior. In particular, the prevalence of heavy-tailed spectral densities…
Large Reasoning Models (LRMs) have shown promising accuracy improvements on complex problem-solving tasks. While these models have attained high accuracy by leveraging additional computation at test time, they need to generate long chain-of-thought reasoning in order to think before answering, which…
Large Language Models (LLMs) are increasingly being deployed on edge devices for long-context settings, creating a growing need for fast and efficient long-context inference. In these scenarios, the Key-Value (KV) cache is the primary bottleneck in terms of both GPU memory and latency, as the full K…
Computing eigenvalues of very large matrices is a critical task in many machine learning applications, including the evaluation of log-determinants, the trace of matrix functions, and other important metrics. As datasets continue to grow in scale, the corresponding covariance and kernel matrices bec…
Emerging Large Language Model (LLM) applications require long input context in order to perform complex tasks like document analysis and code generation.For these long context length applications, the length of the input prompt poses a significant challenge in terms of inference efficiency since the…
State space models (SSMs) leverage linear, time-invariant (LTI) systems to effectively learn sequences with long-range dependencies. By analyzing the transfer functions of LTI systems, we find that SSMs exhibit an implicit bias toward capturing low-frequency components more effectively than high-fre…
Recent work on pruning large language models (LLMs) has shown that one can eliminate a large number of parameters without compromising performance, making pruning a promising strategy to reduce LLM model size. Existing LLM pruning strategies typically assign uniform pruning ratios across layers, lim…
The reasoning capabilities of the recent LLMs enable them to execute external function calls to overcome their inherent limitations, such as knowledge cutoffs, poor arithmetic skills, or lack of access to private data. This development has allowed LLMs to select and coordinate multiple functions bas…
Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces…
Discovering governing equations from data is important to many scientific and engineering applications. Despite promising successes, existing methods are still challenged by data sparsity and noise issues, both of which are ubiquitous in practice. Moreover, state-of-the-art methods lack uncertainty…
Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are unstable during training, and they can suffer from mode collapse. While variational autoencoders (…
As performance gains through scaling data and/or model size experience diminishing returns, it is becoming increasingly popular to turn to ensembling, where the predictions of multiple models are combined to improve accuracy. In this paper, we provide a detailed analysis of how the disagreement and…
LLMs are seeing growing use for applications which require large context windows, and with these large context windows KV cache activations surface as the dominant contributor to memory consumption during inference. Quantization is a promising approach for compressing KV cache activations; however,…
State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 lay…
Recent studies on deep ensembles have identified the sharpness of the local minima of individual learners and the diversity of the ensemble members as key factors in improving test-time performance. Building on this, our study investigates the interplay between sharpness and diversity within deep en…
Generative Large Language Models (LLMs) have demonstrated remarkable results for a wide range of tasks. However, deploying these models for inference has been a significant challenge due to their unprecedented resource requirements. This has forced existing deployment frameworks to use multi-GPU inf…
Learning representations of well-trained neural network models holds the promise to provide an understanding of the inner workings of those models. However, previous work has either faced limitations when processing larger networks or was task-specific to either discriminative or generative tasks. T…
Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural Operators (NOs) have emerged as particularly promising. We ob…
Despite the successes of probabilistic models based on passing noise through neural networks, recent work has identified that such methods often fail to capture tail behavior accurately---unless the tails of the base distribution are appropriately calibrated. To overcome this deficiency, we propose…
Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability re…
We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop…
We study the fundamental problem of selecting optimal features for model construction. This problem is computationally challenging on large datasets, even with the use of greedy algorithm variants. To address this challenge, we extend the adaptive query model, recently proposed for the greedy forwar…
We present Gradient Gating (G$^2$), a novel framework for improving the performance of Graph Neural Networks (GNNs). Our framework is based on gating the output of GNN layers with a mechanism for multi-rate flow of message passing information across nodes of the underlying graph. Local gradients are…
Recent work in scientific machine learning (SciML) has focused on incorporating partial differential equation (PDE) information into the learning process. Much of this work has focused on relatively "easy'' PDE operators (e.g., elliptic and parabolic), with less emphasis on relatively ``hard'' PDE o…
We introduce a practical method to enforce partial differential equation (PDE) constraints for functions defined by neural networks (NNs), with a high degree of accuracy and up to a desired tolerance. We develop a differentiable PDE-constrained layer that can be incorporated into any NN architecture…
Despite their importance for assessing reliability of predictions, uncertainty quantification (UQ) measures in machine learning models have only recently begun to be rigorously characterized. One prominent issue is the *curse of dimensionality*: it is commonly believed that the marginal likelihood s…
The recent emergence of Large Language Models based on the Transformer architecture has enabled dramatic advancements in the field of Natural Language Processing. However, these models have long inference latency, which limits their deployment and makes them prohibitively expensive for various real-…
Regularization in modern machine learning is crucial, and it can take various forms in algorithmic design: training set, model family, error function, regularization terms, and optimizations. In particular, the learning rate, which can be interpreted as a temperature-like parameter within the stati…
Pre-trained machine learning (ML) models have shown great performance for a wide range of applications, in particular in natural language processing (NLP) and computer vision (CV). Here, we study how pre-training could be used for scientific machine learning (SciML) applications, specifically in the…
Ensembling has a long history in statistical data analysis, with many impactful applications. However, in many modern machine learning settings, the benefits of ensembling are less ubiquitous and less obvious. We study, both theoretically and empirically, the fundamental question of when ensemblin…
Pruning is an effective way to reduce the huge inference cost of Transformer models. However, prior work on pruning Transformers requires retraining the models. This can add high training cost and high complexity to model deployment, making it difficult to use in many practical situations. To addres…
We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditi…
End-to-end neural network models achieve improved performance on various automatic speech recognition (ASR) tasks. However, these models perform poorly on edge hardware due to large memory and computation requirements. While quantizing model weights and/or activations to low-precision can be a promi…
We propose a novel method called Long Expressive Memory (LEM) for learning long-term sequential dependencies. LEM is gradient-based, it can efficiently process sequential tasks with very long-term dependencies, and it is sufficiently expressive to be able to learn complicated input-output maps. To d…
We introduce Noisy Feature Mixup (NFM), an inexpensive yet effective method for data augmentation that combines the best of interpolation based training and noise injection schemes. Rather than training with convex combinations of pairs of examples and their labels, we use noise-perturbed convex com…
The recently proposed Conformer model has become the de facto backbone model for various downstream speech tasks based on its hybrid attention-convolution architecture that captures both local and global features. However, through a series of systematic studies, we find that the Conformer architectu…
Transfer learning has emerged as a powerful methodology for adapting pre-trained deep neural networks on image recognition tasks to new domains. This process consists of taking a neural network pre-trained on a large feature-rich source dataset, freezing the early layers that encode essential generi…
Recent work in scientific machine learning has developed so-called physics-informed neural network (PINN) models. The typical approach is to incorporate physical domain knowledge as soft constraints on an empirical loss function and use existing machine learning methodologies to train the model. We…
The rate of convergence of weighted kernel herding (WKH) and sequential Bayesian quadrature (SBQ), two kernel-based sampling algorithms for estimating integrals with respect to some target probability measure, is investigated. Under verifiable conditions on the chosen kernel and target measure, we e…
Given an optimization problem, the Hessian matrix and its eigenspectrum can be used in many ways, ranging from designing more efficient second-order algorithms to performing model analysis and regression diagnostics. When nonlinear models and non-convex problems are considered, strong simplifying a…
Transformer based models, like BERT and RoBERTa, have achieved state-of-the-art results in many Natural Language Processing tasks. However, their memory footprint, inference latency, and power consumption are prohibitive efficient inference at the edge, and even at the data center. While quantizatio…
The Column Subset Selection Problem (CSSP) and the Nystrom method are among the leading tools for constructing interpretable low-rank approximations of large datasets by selecting a small but representative set of features or instances. A fundamental question in this area is: what is the cost of thi…
Viewing recurrent neural networks (RNNs) as continuous-time dynamical systems, we propose a recurrent unit that describes the hidden state's evolution with two parts: a well-understood linear component plus a Lipschitz nonlinearity. This particular functional form facilitates stability analysis of t…
To address the communication bottleneck problem in distributed optimization within a master-worker framework, we propose LocalNewton, a distributed second-order algorithm with
In second-order optimization, a potential bottleneck can be computing the Hessian matrix of the optimized function at every iteration. Randomized sketching has emerged as a powerful technique for constructing estimates of the Hessian which can be used to perform approximate Newton steps. This involv…
We provide a general framework for studying recurrent neural networks (RNNs) trained by injecting noise into hidden states. Specifically, we consider RNNs that can be viewed as discretizations of stochastic differential equations driven by input data. This framework allows us to study the implicit r…
Given a large data matrix, sparsifying, quantizing, and/or performing other entry-wise nonlinear operations can have numerous benefits, ranging from speeding up iterative algorithms for core numerical linear algebra problems to providing nonlinear filters to design state-of-the-art neural network mo…
The recently-introduced class of ordinary differential equation networks (ODE-Nets) establishes a fruitful connection between deep learning and dynamical systems. In this work, we reconsider formulations of the weights as continuous-in-depth functions using linear combinations of basis functions whi…
We provide a general theoretical framework for stochastic continuous normalizing flows, an extension of continuous normalizing flows for density estimation of stochastic differential equations (SDEs). Using the theory of rough paths, the underlying Brownian motion is treated as a latent variable and…
Viewing neural network models in terms of their loss landscapes has a long history in the statistical mechanics approach to learning, and in recent years it has received attention within machine learning proper. Among other things, local metrics (such as the smoothness of the loss landscape) have be…
Fully quantized training (FQT), which uses low-bitwidth hardware by quantizing the activations, weights, and gradients of a neural network model, is a promising approach to accelerate the training of deep neural networks. One major challenge with FQT is the lack of theoretical understanding, in part…
This article characterizes the exact asymptotics of random Fourier feature (RFF) regression, in the realistic setting where the number of data samples $n$, their dimension $p$, and the dimension of feature space $N$ are all large and comparable. In this regime, the random RFF Gram matrix no longer c…
Robustness of machine learning models to various adversarial and non-adversarial corruptions continues to be of interest. In this paper, we introduce the notion of the boundary thickness of a classifier, and we describe its connection with and usefulness for model robustness. Thick decision boundari…
In distributed second order optimization, a standard strategy is to average many local estimates, each of which is based on a small sketch or batch of the data. However, the local estimates on each machine are typically biased, relative to the full solution on all of the data, and this can limit th…
Double descent refers to the phase transition that is exhibited by the generalization error of unregularized learning models when varying the ratio between the number of parameters and the number of training samples. The recent success of highly over-parameterized machine learning models such as dee…
Quantization is an effective method for reducing memory footprint and inference time of Neural Networks. However, ultra low precision quantization could lead to significant degradation in model accuracy. A promising method to address this is to perform mixed-precision quantization, where more sensit…
The Column Subset Selection Problem (CSSP) and the Nystrom method are among the leading tools for constructing small low-rank approximations of large datasets in machine learning and scientific computing. A fundamental question in this area is: how well can a data subset of size k compete with the b…
It is often desirable to reduce the dimensionality of a large dataset by projecting it onto a low-dimensional subspace. Matrix sketching has emerged as a powerful technique for performing such dimensionality reduction very efficiently. Even though there is an extensive literature on the worst-case…
Quantization is a promising approach for reducing the inference time and memory footprint of neural networks. However, most existing quantization methods require access to the original training dataset for retraining during quantization. This is often not possible for applications with sensitive or…
It has been observed that residual networks can be viewed as the explicit Euler discretization of an Ordinary Differential Equation (ODE). This observation motivated the introduction of so-called Neural ODEs, in which other discretization schemes and/or adaptive time stepping techniques can be used…
In distributed optimization and distributed numerical linear algebra, we often encounter an inversion bias: if we want to compute a quantity that depends on the inverse of a sum of distributed matrices, then the sum of the inverses does not equal the inverse of the sum.
Model size and inference speed/power have become a major challenge in the deployment of neural networks for many applications. A promising approach to address these problems is quantization. However, uniformly quantizing a model to ultra-low precision leads to significant accuracy degradation. A nov…
Deep Neural Networks are quite vulnerable to adversarial perturbations. Current state-of-the-art adversarial attack methods typically require very time consuming hyper-parameter tuning, or require many iterations to solve an optimization based adversarial attack. To address this problem, we present…
For distributed computing environment, we consider the empirical risk minimization problem and propose a distributed and communication-efficient Newton-type optimization method. At every iteration, each worker locally finds an Approximate NewTon (ANT) direction, which is sent to the main driver. The…
Large batch size training of Neural Networks has been shown to incur accuracy loss when trained with the current methods. The exact underlying reasons for this are still not completely understood. Here, we study large batch size training through the lens of the Hessian operator and robust optimiza…
Diffusions and related random walk procedures are of central importance in many areas of machine learning, data analysis, and applied mathematics. Because they spread mass agnostically at each step in an iterative manner, they can sometimes spread mass “too aggressively,” thereby failing to find the…
We address the statistical and optimization impacts of using classical sketch versus Hessian sketch to solve approximately the Matrix Ridge Regression (MRR) problem. Prior research has considered the effects of classical sketch on least squares regression (LSR), a strictly simpler problem. We establ…
The increasing size and complexity of scientific data could dramatically enhance discovery and prediction for basic scientific applications, e.g., neuroscience, genetics, systems biology, etc. Realizing this potential, however, requires novel statistical analysis methods that are both interpretable…
Most existing approaches to distributed sparse regression assume the data is partitioned by samples. However, for high-dimensional data (D >> N), it is more natural to partition the data by features. We propose an algorithm to distributed sparse regression when the data is partitioned by features ra…
We consider the problem of finding the minimizer of a convex function $F: \mathbb R^d \rightarrow \mathbb R$ of the form $F(w) \defeq \sum_{i=1}^n f_i(w) + R(w)$ where a low-rank factorization of $\nabla^2 f_i(w)$ is readily available.We consider the regime where $n \gg d$. We propose randomized New…
One approach to improving the running time of kernel-based methods is to build a small sketch of the kernel matrix and use it in lieu of the full matrix in the machine learning task of interest. Here, we describe a version of this approach that comes with running time guarantees as well as improved…