OpenRaiser/Intern-Atlas huggingface dataset:
A Dynamic Algorithm for Weighted Submodular Cover Problem
Venue: Conference ICML 2024
Year: 2024

We initiate the study of the submodular cover problem in dynamic setting where the elements of the ground set are inserted and deleted. In the classical submodular cover problem, we are given a monotone submodular function $f : 2^{V} \to \mathbb{R}^{\ge 0}$ and the goal is to obtain a set $S \subseteq V$ that minimizes the cost subject to the constraint $f(S) = f(V)$. This is a classical problem in computer science and generalizes the Set Cover problem, 2-Set Cover, and dominating set problem among others. We consider this problem in a dynamic setting where there are updates to our set $V$, in the form of insertions and deletions of elements from a ground set $\mathcal{V}$, and the goal is to maintain an approximately optimal solution with low query complexity per update. For this problem, we propose a randomized algorithm that, in expectation, obtains a $(1-O(ε), O(ε^{-1}))$-bicriteria approximation using polylogarithmic query complexity per update.
VNN: Verification-Friendly Neural Networks with Hard Robustness Guarantees
Venue: Conference ICML 2024
Year: 2024

Machine learning techniques often lack formal correctness guarantees, evidenced by the widespread adversarial examples that plague most deep-learning applications. This lack of formal guarantees resulted in several research efforts that aim at verifying Deep Neural Networks (DNNs), with a particular focus on safety-critical applications. However, formal verification techniques still face major scalability and precision challenges. The over-approximation introduced during the formal verification process to tackle the scalability challenge often results in inconclusive analysis. To address this challenge, we propose a novel framework to generate Verification-Friendly Neural Networks (VNNs). We present a post-training optimization framework to achieve a balance between preserving prediction performance and verification-friendliness. Our proposed framework results in VNNs that are comparable to the original DNNs in terms of prediction performance, while amenable to formal verification techniques. This essentially enables us to establish robustness for more VNNs than their DNN counterparts, in a time-efficient manner.
Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products
Venue: Conference ICML 2024
Year: 2024

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer, which combines the enhanced expressive power, message-passing mechanisms, and aggregation schemes from Subgraph GNNs with attention and positional encodings, arguably the most important components in Graph Transformers. Our method is based on an intriguing new connection we reveal between Subgraph GNNs and product graphs, suggesting that Subgraph GNNs can be formulated as Message Passing Neural Networks (MPNNs) operating on a product of the graph with itself. We use this formulation to design our architecture: first, we devise an attention mechanism based on the connectivity of the product graph. Following this, we propose a novel and efficient positional encoding scheme for Subgraph GNNs, which we derive as a positional encoding for the product graph. Our experimental results demonstrate significant performance improvements over both Subgraph GNNs and Graph Transformers on a wide range of datasets.
Stochastic positional embeddings improve masked image modeling
Venue: Conference ICML 2024
Year: 2024

Masked Image Modeling (MIM) is a promising self-supervised learning approach that enables learning from unlabeled images. Despite its recent success, learning good representations through MIM remains challenging because it requires predicting the right semantic content in accurate locations. For example, given an incomplete picture of a dog, we can guess that there is a tail, but we cannot determine its exact location. In this work, we propose to incorporate location uncertainty into MIM by using stochastic positional embeddings (StoP). Specifically, we condition the model on stochastic masked token positions drawn from a Gaussian distribution. StoP reduces overfitting to location features and guides the model toward learning features that are more robust to location uncertainties. Quantitatively, StoP improves downstream MIM performance on a variety of downstream tasks, including $+1.7\%$ on ImageNet linear probing using ViT-B, and $+2.5\%$ for ViT-H using $1\%$ of the data.
Scale-Free Image Keypoints Using Differentiable Persistent Homology
Venue: Conference ICML 2024
Year: 2024

In computer vision, keypoint detection is a fundamental task, with applications spanning from robotics to image retrieval; however, existing learning-based methods suffer from scale dependency and lack flexibility. This paper introduces a novel approach that leverages Morse theory and persistent homology, powerful tools rooted in algebraic topology. We propose a novel loss function based on the recent introduction of a notion of subgradient in persistent homology, paving the way toward topological learning. Our detector, MorseDet, is the first topology-based learning model for feature detection, which achieves competitive performance in keypoint repeatability and introduces a principled and theoretically robust approach to the problem.
To Each (Textual Sequence) Its Own: Improving Memorized-Data Unlearning in Large Language Models
Venue: Conference ICML 2024
Year: 2024

LLMs have been found to memorize training textual sequences and regurgitate verbatim said sequences during text generation time. This fact is known to be the cause of privacy and related (e.g., copyright) problems. Unlearning in LLMs then takes the form of devising new algorithms that will properly deal with these side-effects of memorized data, while not hurting the model's utility. We offer a fresh perspective towards this goal, namely, that each textual sequence to be forgotten should be treated differently when being unlearned based on its degree of memorization within the LLM. We contribute a new metric for measuring unlearning quality, an adversarial attack showing that SOTA algorithms lacking this perspective fail for privacy, and two new unlearning methods based on Gradient Ascent and Task Arithmetic, respectively. A comprehensive performance evaluation across an extensive suite of NLP tasks then mapped the solution space, identifying the best solutions under different scales in model capacities and forget set sizes and quantified the gains of the new approaches.
Improved Stability and Generalization Guarantees of the Decentralized SGD Algorithm
Venue: Conference ICML 2024
Year: 2024

This paper presents a new generalization error analysis for Decentralized Stochastic Gradient Descent (D-SGD) based on algorithmic stability. The obtained results overhaul a series of recent works that suggested an increased instability due to decentralization and a detrimental impact of poorly-connected communication graphs on generalization. On the contrary, we show, for convex, strongly convex and non-convex functions, that D-SGD can always recover generalization bounds analogous to those of classical SGD, suggesting that the choice of graph does not matter. We then argue that this result is coming from a worst-case analysis, and we provide a refined optimization-dependent generalization bound for general convex functions. This new bound reveals that the choice of graph can in fact improve the worst-case bound in certain regimes, and that surprisingly, a poorly-connected graph can even be beneficial for generalization.
Adversarial Robustness Limits via Scaling-Law and Human-Alignment Studies
Venue: Conference ICML 2024
Year: 2024

This paper revisits the simple, long-studied, yet still unsolved problem of making image classifiers robust to imperceptible perturbations. Taking CIFAR10 as an example, SOTA clean accuracy is about $100$%, but SOTA robustness to $\ell_{\infty}$-norm bounded perturbations barely exceeds $70$%. To understand this gap, we analyze how model size, dataset size, and synthetic data quality affect robustness by developing the first scaling laws for adversarial training. Our scaling laws reveal inefficiencies in prior art and provide actionable feedback to advance the field. For instance, we discovered that SOTA methods diverge notably from compute-optimal setups, using excess compute for their level of robustness. Leveraging a compute-efficient setup, we surpass the prior SOTA with $20$% ($70$%) fewer training (inference) FLOPs. We trained various compute-efficient models, with our best achieving $74$% AutoAttack accuracy ($+3$% gain). However, our scaling laws also predict robustness slowly grows then plateaus at $90$%: dwarfing our new SOTA by scaling is impractical, and perfect robustness is impossible. To better understand this predicted limit, we carry out a small-scale human evaluation on the AutoAttack data that fools our top-performing model. Concerningly, we estimate that human performance also plateaus near $90$%, which we show to be attributable to $\ell_{\infty}$-constrained attacks' generation of invalid images not consistent with their original labels. Having characterized limiting roadblocks, we outline promising paths for future research.
Generalization in Kernel Regression Under Realistic Assumptions
Venue: Conference ICML 2024
Year: 2024

It is by now well-established that modern over-parameterized models seem to elude the bias-variance tradeoff and generalize well despite overfitting noise. Many recent works attempt to analyze this phenomenon in the relatively tractable setting of kernel regression. However, as we argue in detail, most past works on this topic either make unrealistic assumptions, or focus on a narrow problem setup. This work aims to provide a unified theory to upper bound the excess risk of kernel regression for nearly all common and realistic settings. Specifically, we provide rigorous bounds that hold for common kernels and for any amount of regularization, noise, any input dimension, and any number of samples. Furthermore, we provide relative perturbation bounds for the eigenvalues of kernel matrices, which may be of independent interest. These reveal a self-regularization phenomenon, whereby a heavy tail in the eigendecomposition of the kernel provides it with an implicit form of regularization, enabling good generalization. When applied to common kernels, our results imply benign overfitting in high input dimensions, nearly tempered overfitting in fixed dimensions, and explicit convergence rates for regularized regression. As a by-product, we obtain time-dependent bounds for neural networks trained in the kernel regime.
Local vs. Global Interpretability: A Computational Complexity Perspective
Venue: Conference ICML 2024
Year: 2024

The local and global interpretability of various ML models has been studied extensively in recent years. However, despite significant progress in the field, many known results remain informal or lack sufficient mathematical rigor. We propose a framework for bridging this gap, by using computational complexity theory to assess local and global perspectives of interpreting ML models. We begin by proposing proofs for two novel insights that are essential for our analysis: (1) a duality between local and global forms of explanations; and (2) the inherent uniqueness of certain global explanation forms. We then use these insights to evaluate the complexity of computing explanations, across three model types representing the extremes of the interpretability spectrum: (1) linear models; (2) decision trees; and (3) neural networks. Our findings offer insights into both the local and global interpretability of these models. For instance, under standard complexity assumptions such as P != NP, we prove that selecting global sufficient subsets in linear models is computationally harder than selecting local subsets. Interestingly, with neural networks and decision trees, the opposite is true: it is harder to carry out this task locally than globally. We believe that our findings demonstrate how examining explainability through a computational complexity lens can help us develop a more rigorous grasp of the inherent interpretability of ML models.
Differentially Private Domain Adaptation with Theoretical Guarantees
Venue: Conference ICML 2024
Year: 2024

In many applications, the labeled data at the learner's disposal is subject to privacy constraints and is relatively limited. To derive a more accurate predictor for the target domain, it is often beneficial to leverage publicly available labeled data from an alternative domain, somewhat close to the target domain. This is the modern problem of supervised domain adaptation from a public source to a private target domain. We present two $(ε, δ)$-differentially private adaptation algorithms for supervised adaptation, for which we make use of a general optimization problem, recently shown to benefit from favorable theoretical learning guarantees. Our first algorithm is designed for regression with linear predictors and shown to solve a convex optimization problem. Our second algorithm is a more general solution for loss functions that may be non-convex but Lipschitz and smooth. While our main objective is a theoretical analysis, we also report the results of several experiments first demonstrating that the non-private versions of our algorithms outperform adaptation baselines and next showing that, for larger values of the target sample size or $ε$, the performance of our private algorithms remains close to that of the non-private formulation.
On Mechanistic Knowledge Localization in Text-to-Image Generative Models
Venue: Conference ICML 2024
Year: 2024

Identifying layers within text-to-image models which control visual attributes can facilitate efficient model editing through closed-form updates. Recent work, leveraging causal tracing show that early Stable-Diffusion variants confine knowledge primarily to the first layer of the CLIP text-encoder, while it diffuses throughout the UNet.Extending this framework, we observe that for recent models (e.g., SD-XL, DeepFloyd), causal tracing fails in pinpointing localized knowledge, highlighting challenges in model editing. To address this issue, we introduce the concept of Mechanistic Localization in text-to-image models, where knowledge about various visual attributes (e.g., "style", "objects", "facts") can be mechanistically localized to a small fraction of layers in the UNet, thus facilitating efficient model editing. We localize knowledge using our method LocoGen which measures the direct effect of intermediate layers to output generation by performing interventions in the cross-attention layers of the UNet. We then employ LocoEdit, a fast closed-form editing method across popular open-source text-to-image models (including the latest SD-XL)and explore the possibilities of neuron-level model editing. Using Mechanistic Localization, our work offers a better view of successes and failures in localization-based text-to-image model editing. Code will be available at https://github.com/samyadeepbasu/LocoGen.
Diffusion Tempering Improves Parameter Estimation with Probabilistic Integrators for Ordinary Differential Equations
Venue: Conference ICML 2024
Year: 2024

Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would allow for gradient-based parameter optimization, the nonlinear dynamics of ODEs often lead to many local minima and extreme sensitivity to initial conditions. We therefore propose diffusion tempering, a novel regularization technique for probabilistic numerical methods which improves convergence of gradient-based parameter optimization in ODEs. By iteratively reducing a noise parameter of the probabilistic integrator, the proposed method converges more reliably to the true parameters. We demonstrate that our method is effective for dynamical systems of different complexity and show that it obtains reliable parameter estimates for a Hodgkin-Huxley model with a practically relevant number of parameters.
Neural Networks Learn Statistics of Increasing Complexity
Venue: Conference ICML 2024
Year: 2024

The distributional simplicity bias (DSB) posits that neural networks learn low-order moments of the data distribution first, before moving on to higher-order correlations. In this work, we present compelling new evidence for the DSB by showing that networks automatically learn to perform well on maximum-entropy distributions whose low-order statistics match those of the training set early in training, then lose this ability later. We also extend the DSB to discrete domains by proving an equivalence between token $n$-gram frequencies and the moments of embedding vectors, and by finding empirical evidence for the bias in LLMs. Finally we use optimal transport methods to surgically edit the low-order statistics of one class to match those of another, and show that early-training networks treat the edited samples as if they were drawn from the target class. Code is available at https://github.com/EleutherAI/features-across-time.
The Role of Learning Algorithms in Collective Action
Venue: Conference ICML 2024
Year: 2024

Collective action in machine learning is the study of the control that a coordinated group can have over machine learning algorithms. While previous research has concentrated on assessing the impact of collectives against Bayes (sub-)optimal classifiers, this perspective is limited in that it does not account for the choice of learning algorithm. Since classifiers seldom behave like Bayes classifiers and are influenced by the choice of learning algorithms along with their inherent biases, in this work we initiate the study of how the choice of the learning algorithm plays a role in the success of a collective in practical settings. Specifically, we focus on distributionally robust optimization (DRO), popular for improving a worst group error, and on the ubiquitous stochastic gradient descent (SGD), due to its inductive bias for "simpler" functions. Our empirical results, supported by a theoretical foundation, show that the effective size and success of the collective are highly dependent on properties of the learning algorithm. This highlights the necessity of taking the learning algorithm into account when studying the impact of collective action in machine learning.
D-Flow: Differentiating through Flows for Controlled Generation
Venue: Conference ICML 2024
Year: 2024

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled generation in general. In this work we introduce D-Flow, a simple framework for controlling the generation process by differentiating through the flow, optimizing for the source (noise) point. We motivate this framework by our key observation stating that for Diffusion/FM models trained with Gaussian probability paths, differentiating through the generation process projects gradient on the data manifold, implicitly injecting the prior into the optimization process. We validate our framework on linear and non-linear controlled generation problems including: image and audio inverse problems and conditional molecule generation reaching state of the art performance across all.
Transitional Uncertainty with Layered Intermediate Predictions
Venue: Conference ICML 2024
Year: 2024

In this paper, we discuss feature engineering for single-pass uncertainty estimation. For accurate uncertainty estimates, neural networks must extract differences in the feature space that quantify uncertainty. This could be achieved by current single-pass approaches that maintain feature distances between data points as they traverse the network. While initial results are promising, maintaining feature distances within the network representations frequently inhibits information compression and opposes the learning objective. We study this effect theoretically and empirically to arrive at a simple conclusion: preserving feature distances in the output is beneficial when the preserved features contribute to learning the label distribution and act in opposition otherwise. We then propose Transitional Uncertainty with Layered Intermediate Predictions (TULIP) as a simple approach to address the shortcomings of current single-pass estimators. Specifically, we implement feature preservation by extracting features from intermediate representations before information is collapsed by subsequent layers. We refer to the underlying preservation mechanism as transitional feature preservation. We show that TULIP matches or outperforms current single-pass methods on standard benchmarks and in practical settings where these methods are less reliable (imbalances, complex architectures, medical modalities).
Non-clairvoyant Scheduling with Partial Predictions
Venue: Conference ICML 2024
Year: 2024

The non-clairvoyant scheduling problem has gained new interest within learning-augmented algorithms, where the decision-maker is equipped with predictions without any quality guarantees. In practical settings, access to predictions may be reduced to specific instances, due to cost or data limitations. Our investigation focuses on scenarios where predictions for only $B$ job sizes out of $n$ are available to the algorithm. We first establish near-optimal lower bounds and algorithms in the case of perfect predictions. Subsequently, we present a learning-augmented algorithm satisfying the robustness, consistency, and smoothness criteria, and revealing a novel tradeoff between consistency and smoothness inherent in the scenario with a restricted number of predictions.
Sequential Disentanglement by Extracting Static Information From A Single Sequence Element
Venue: Conference ICML 2024
Year: 2024

One of the fundamental representation learning tasks is unsupervised sequential disentanglement, where latent codes of inputs are decomposed to a single static factor and a sequence of dynamic factors. To extract this latent information, existing methods condition the static and dynamic codes on the entire input sequence. Unfortunately, these models often suffer from information leakage, i.e., the dynamic vectors encode both static and dynamic information, or vice versa, leading to a non-disentangled representation. Attempts to alleviate this problem via reducing the dynamic dimension and auxiliary loss terms gain only partial success. Instead, we propose a novel and simple architecture that mitigates information leakage by offering a simple and effective subtraction inductive bias while conditioning on a single sample. Remarkably, the resulting variational framework is simpler in terms of required loss terms, hyperparameters, and data augmentation. We evaluate our method on multiple data-modality benchmarks including general time series, video, and audio, and we show beyond state-of-the-art results on generation and prediction tasks in comparison to several strong baselines.