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Training data attribution (TDA) methods aim to quantify the influence of individual training data points on the model predictions, with broad applications in data-centric AI, such as mislabel detection, data selection, and copyright compensation. However, existing methods in this field, which can be categorized as retraining-based and gradient-based, have struggled with the trade-off between computational efficiency and attribution efficacy. Retraining-based methods can accurately attribute complex non-convex models but are computationally prohibitive, while gradient-based methods are efficient but often fail for non-convex models. Recent research has shown that augmenting gradient-based methods with ensembles of multiple independently trained models can achieve significantly better attribution efficacy. However, this approach remains impractical for very large-scale applications. In this work, we discover that expensive, fully independent training is unnecessary for ensembling the gradient-based methods, and we propose two efficient ensemble strategies, DROPOUT ENSEMBLE and LORA ENSEMBLE, alternative to naive independent ensemble. These strategies significantly reduce training time (up to 80%), serving time (up to 60%), and space cost (up to 80%) while maintaining similar attribution efficacy to the naive independent ensemble. Our extensive experimental results demonstrate that the proposed strategies are effective across multiple TDA methods on diverse datasets and models, including generative settings, significantly advancing the Pareto frontier of TDA methods with better computational efficiency and attribution efficacy.

Change point detection (CPD) and anomaly detection (AD) are essential techniques in various fields to identify abrupt changes or abnormal data instances. However, existing methods are often constrained to univariate data, face scalability challenges with large datasets due to computational demands, and experience reduced performance with high-dimensional or intricate data, as well as hidden anomalies. Furthermore, they often lack interpretability and adaptability to domain-specific knowledge, which limits their versatility across different fields. In this work, we propose a deep learning-based CPD/AD method called Probabilistic Predictive Coding (PPC) that jointly learns to encode sequential data to low dimensional latent space representations and to predict the subsequent data representations as well as the corresponding prediction uncertainties. The model parameters are optimized with maximum likelihood estimation by comparing these predictions with the true encodings. At the time of application, the true and predicted encodings are used to determine the probability of conformity, an interpretable and meaningful anomaly score. Furthermore, our approach has linear time complexity, scalability issues are prevented, and the method can easily be adjusted to a wide range of data types and intricate applications. We demonstrate the effectiveness and adaptability of our proposed method across synthetic time series experiments, image data, and real-world magnetic resonance spectroscopic imaging data.

Critical learning periods are periods early in development where temporary sensory deficits can have a permanent effect on behavior and learned representations. Despite the radical differences between biological and artificial networks, critical learning periods have been empirically observed in both systems. This suggests that critical periods may be fundamental to learning and not an accident of biology. Yet, why exactly critical periods emerge in deep networks is still an open question, and in particular it is unclear whether the critical periods observed in both systems depend on particular architectural or optimization details. To isolate the key underlying factors, we focus on deep linear network models, and show that, surprisingly, such networks also display much of the behavior seen in biology and artificial networks, while being amenable to analytical treatment. We show that critical periods depend on the depth of the model and structure of the data distribution. We also show analytically and in simulations that the learning of features is tied to competition between sources. Finally, we extend our analysis to multi-task learning to show that pre-training on certain tasks can damage the transfer performance on new tasks, and show how this depends on the relationship between tasks and the duration of the pre-training stage. To the best of our knowledge, our work provides the first analytically tractable model that sheds light into why critical learning periods emerge in biological and artificial networks.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Recent advances in large language models have enabled the development of viable generative retrieval systems. Instead of a traditional document ranking, generative retrieval systems often directly return a grounded generated text as a response to a query. Quantifying the utility of the textual responses is essential for appropriately evaluating such generative ad hoc retrieval. Yet, the established evaluation methodology for ranking-based ad hoc retrieval is not suited for the reliable and reproducible evaluation of generated responses. To lay a foundation for developing new evaluation methods for generative retrieval systems, we survey the relevant literature from the fields of information retrieval and natural language processing, identify search tasks and system architectures in generative retrieval, develop a new user model, and study its operationalization.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

We introduce an approach for deep reinforcement learning (RL) that improves upon the efficiency, generalization capacity, and interpretability of conventional approaches through structured perception and relational reasoning. It uses self-attention to iteratively reason about the relations between entities in a scene and to guide a model-free policy. Our results show that in a novel navigation and planning task called Box-World, our agent finds interpretable solutions that improve upon baselines in terms of sample complexity, ability to generalize to more complex scenes than experienced during training, and overall performance. In the StarCraft II Learning Environment, our agent achieves state-of-the-art performance on six mini-games -- surpassing human grandmaster performance on four. By considering architectural inductive biases, our work opens new directions for overcoming important, but stubborn, challenges in deep RL.

Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.