ICML 2024 Papers

We study the problem of training an unbiased and accurate model given a dataset with multiple biases. This problem is challenging since the multiple biases cause multiple undesirable shortcuts during training, and even worse, mitigating one may exacerbate the other. We propose a novel training method to tackle this challenge. Our method first groups training data so that different groups induce different shortcuts, and then optimizes a linear combination of group-wise losses while adjusting their weights dynamically to alleviate conflicts between the groups in performance; this approach, rooted in the multi-objective optimization theory, encourages to achieve the minimax Pareto solution. We also present a new benchmark with multiple biases, dubbed MultiCelebA, for evaluating debiased training methods under realistic and challenging scenarios. Our method achieved the best on three datasets with multiple biases, and also showed superior performance on conventional single-bias datasets.

The objective in eXtreme Classification (XC) is to find relevant labels for a document from an exceptionally large label space. Most XC application scenarios have rich auxiliary data associated with the input documents, e.g., frequently clicked webpages for search queries in sponsored search. Unfortunately, most of the existing XC methods do not use any auxiliary data. In this paper, we propose a novel framework, Online Auxiliary Knowledge (OAK), which harnesses auxiliary information linked to the document to improve XC accuracy. OAK stores information learnt from the auxiliary data in a knowledge bank and during a forward pass, retrieves relevant auxiliary knowledge embeddings for a given document. An enriched embedding is obtained by fusing these auxiliary knowledge embeddings with the document's embedding, thereby enabling much more precise candidate label selection and final classification. OAK training involves three stages. (1) Training a linker module to link documents to relevant auxiliary data points. (2) Learning an embedding for documents enriched using linked auxiliary information. (3) Using the enriched document embeddings to learn the final classifiers. OAK outperforms current state-of-the-art XC methods by up to $\sim 5 \%$ on academic datasets, and by $\sim 3 \%$ on an auxiliary data-augmented variant of LF-ORCAS-800K dataset in Precision@1. OAK also demonstrates statistically significant improvements in sponsored search metrics when deployed on a large scale search engine.

The anomaly detection literature is abundant with offline methods, which require repeated access to data in memory, and impose impractical assumptions when applied to a streaming context. Existing online anomaly detection methods also generally fail to address these constraints, resorting to periodic retraining to adapt to the online context. We propose Online-iForest, a novel method explicitly designed for streaming conditions that seamlessly tracks the data generating process as it evolves over time. Experimental validation on real-world datasets demonstrated that Online-iForest is on par with online alternatives and closely rivals state-of-the-art offline anomaly detection techniques that undergo periodic retraining. Notably, Online-iForest consistently outperforms all competitors in terms of efficiency, making it a promising solution in applications where fast identification of anomalies is of primary importance such as cybersecurity, fraud and fault detection.

DreamCoder is an inductive program synthesis system that, whilst solving problems, learns to simplify search in an iterative wake-sleep procedure. The cost of search is amortized by training a neural search policy, reducing search breadth and effectively "compiling" useful information to compose program solutions across tasks. Additionally, a library of program components is learnt to compress and express discovered solutions in fewer components, reducing search depth. We present a novel approach for library learning that directly leverages the neural search policy, effectively "decompiling" its amortized knowledge to extract relevant program components. This provides stronger amortized inference: the amortized knowledge learnt to reduce search breadth is now also used to reduce search depth. We integrate our approach with DreamCoder and demonstrate faster domain proficiency with improved generalization on a range of domains, particularly when fewer example solutions are available.

A popular approach to the MAP inference problem in graphical models is to minimize an upper bound obtained from a dual linear programming or Lagrangian relaxation by (block-)coordinate descent. This is also known as convex/convergent message passing; examples are max-sum diffusion and sequential tree-reweighted message passing (TRW-S). Convergence properties of these methods are currently not fully understood. They have been proved to converge to the set characterized by local consistency of active constraints, with unknown convergence rate; however, it was not clear if the iterates converge at all (to any point). We prove a stronger result (conjectured before but never proved): the iterates converge to a fixed point of the method. Moreover, we show that the algorithm terminates within $\mathcal{O}(1/\varepsilon)$ iterations. We first prove this for a version of coordinate descent applied to a general piecewise-affine convex objective. Then we show that several convex message passing methods are special cases of this method. Finally, we show that a slightly different version of coordinate descent can cycle.

In this work, we aimed at forecasting the number of SARS-CoV-2 hospitalized patients at 14 days to help anticipate the bed requirements of a large scale hospital using public data and electronic health records data. Previous attempts led to mitigated performance in this high-dimension setting; we introduce a novel approach to time series forecasting by providing an alternative to conventional methods to deal with high number of potential features of interest (409 predictors). We integrate Reservoir Computing (RC) with feature selection using a genetic algorithm (GA) to gather optimal non-linear combinations of inputs to improve prediction in sample-efficient context. We illustrate that the RC-GA combination exhibits excellent performance in forecasting SARS-CoV-2 hospitalizations. This approach outperformed the use of RC alone and other conventional methods: LSTM, Transformers, Elastic-Net, XGBoost. Notably, this work marks the pioneering use of RC (along with GA) in the realm of short and high-dimensional time series, positioning it as a competitive and innovative approach in comparison to standard methods.

While neural networks allow highly accurate predictions in many tasks, their lack of robustness towards even slight input perturbations often hampers their deployment. Adversarial attacks such as the seminal _projected gradient descent_ (PGD) offer an effective means to evaluate a model's robustness and dedicated solutions have been proposed for attacks on semantic segmentation or optical flow estimation. While they attempt to increase the attack's efficiency, a further objective is to balance its effect, so that it acts on the entire image domain instead of isolated point-wise predictions. This often comes at the cost of optimization stability and thus efficiency. Here, we propose CosPGD, an attack that encourages more balanced errors over the entire image domain while increasing the attack's overall efficiency. To this end, CosPGD leverages a simple alignment score computed from any pixel-wise prediction and its target to scale the loss in a smooth and fully differentiable way. It leads to efficient evaluations of a model's robustness for semantic segmentation as well as regression models (such as optical flow, disparity estimation, or image restoration), and it allows it to outperform the previous SotA attack on semantic segmentation. We provide code for the CosPGD algorithm and example usage at https://github.com/shashankskagnihotri/cospgd.

Offline Reinforcement Learning (RL) commonly suffers from the out-of-distribution (OOD) overestimation issue due to the distribution shift. Prior work gradually shifts their focus from suppressing OOD overestimation to avoiding overly conservative learning from suboptimal behavior policies to improve generalization. However, most approaches explicitly delimit boundaries for OOD actions based on the support in the dataset, which can potentially impede the data near these boundaries from acquiring realistic estimates. This paper investigates how to loosen the rigid demarcation of OOD boundaries, adaptively extracting knowledge from empirical data to implicitly improve the model's generalization to nearby unseen data. We introduce an adversarial data splitting (ADS) framework that enforces the model to generalize the distribution shifts simulated from the train/validation subsets splitting of the dataset. Specifically, ADS is modeled as a min-max optimization problem inspired by meta-learning and solved by iterating over the following two steps. First, we train the model on the train-subset to minimize its loss on the validation-subset. Then, we adversarially generate the "hardest" train/validation subsets with the maximum distribution shift, making the model incapable of generalization at that splitting. We derive a generalization error bound for theoretically understanding ADS and verify the effectiveness with extensive experiments. Code is available at https://github.com/DkING-lv6/ADS.

As large language models (LLMs) become more capable, fine-tuning techniques for aligning with human intent are increasingly important. A key consideration for aligning these models is how to most effectively use human resources, or model resources in the case where LLMs themselves are used as oracles. Reinforcement learning from Human or AI preferences (RLHF/RLAIF) is the most prominent example of such a technique, but is complex and often unstable. Direct Preference Optimization (DPO) has recently been proposed as a simpler and more stable alternative. In this work, we develop an active learning strategy for DPO to make better use of preference labels. We propose a practical acquisition function for prompt/completion pairs based on the predictive entropy of the language model and a measure of certainty of the implicit preference model optimized by DPO. We demonstrate how our approach improves both the rate of learning and final performance of fine-tuning on pairwise preference data.

Using multiple input streams simultaneously to train multimodal neural networks is intuitively advantageous but practically challenging. A key challenge is unimodal bias, where a network overly relies on one modality and ignores others during joint training. We develop a theory of unimodal bias with multimodal deep linear networks to understand how architecture and data statistics influence this bias. This is the first work to calculate the duration of the unimodal phase in learning as a function of the depth at which modalities are fused within the network, dataset statistics, and initialization. We show that the deeper the layer at which fusion occurs, the longer the unimodal phase. A long unimodal phase can lead to a generalization deficit and permanent unimodal bias in the overparametrized regime. Our results, derived for multimodal linear networks, extend to nonlinear networks in certain settings. Taken together, this work illuminates pathologies of multimodal learning under joint training, showing that late and intermediate fusion architectures can give rise to long unimodal phases and permanent unimodal bias. Our code is available at: https://yedizhang.github.io/unimodal-bias.html.

Recent vision-language models have achieved tremendous advances. However, their computational costs are also escalating dramatically, making model acceleration exceedingly critical. To pursue more efficient vision-language Transformers, this paper introduces Cross-Guided Ensemble of Tokens (CrossGET), a general acceleration framework for vision-language Transformers. This framework adaptively combines tokens in real-time during inference, significantly reducing computational costs while maintaining high performance. CrossGET features two primary innovations: 1) Cross-Guided Matching and Ensemble. CrossGET leverages cross-modal guided token matching and ensemble to effectively utilize cross-modal information, achieving wider applicability across both modality-independent models, e.g., CLIP, and modality-dependent ones, e.g., BLIP2. 2) Complete-Graph Soft Matching. CrossGET introduces an algorithm for the token-matching mechanism, ensuring reliable matching results while facilitating parallelizability and high efficiency. Extensive experiments have been conducted on various vision-language tasks, such as image-text retrieval, visual reasoning, image captioning, and visual question answering. The performance on both classic multimodal architectures and emerging multimodal LLMs demonstrates the framework's effectiveness and versatility. The code is available at https://github.com/sdc17/CrossGET.

This paper studies the challenging black-box adversarial attack that aims to generate adversarial examples against a black-box model by only using output feedback of the model to input queries. Some previous methods improve the query efficiency by incorporating the gradient of a surrogate white-box model into query-based attacks due to the adversarial transferability. However, the localized gradient is not informative enough, making these methods still query-intensive. In this paper, we propose a Prior-guided Bayesian Optimization (P-BO) algorithm that leverages the surrogate model as a global function prior in black-box adversarial attacks. As the surrogate model contains rich prior information of the black-box one, P-BO models the attack objective with a Gaussian process whose mean function is initialized as the surrogate model's loss. Our theoretical analysis on the regret bound indicates that the performance of P-BO may be affected by a bad prior. Therefore, we further propose an adaptive integration strategy to automatically adjust a coefficient on the function prior by minimizing the regret bound. Extensive experiments on image classifiers and large vision-language models demonstrate the superiority of the proposed algorithm in reducing queries and improving attack success rates compared with the state-of-the-art black-box attacks. Code is available at https://github.com/yibo-miao/PBO-Attack.

Finite-sum optimization has wide applications in machine learning, covering important problems such as support vector machines, regression, etc. In this paper, we initiate the study of solving finite-sum optimization problems by quantum computing. Specifically, let $f_1,\ldots,f_n:\mathbb{R}^d\to\mathbb{R}$ be $\ell$-smooth convex functions and $\psi:\mathbb{R}^d\to\mathbb{R}$ be a $\mu$-strongly convex proximal function. The goal is to find an $\epsilon$-optimal point for $F(\mathbf{x})=\frac{1}{n}\sum_{i=1}^n f_i(\mathbf{x})+\psi(\mathbf{x})$. We give a quantum algorithm with complexity $\tilde{O}\big(n+\sqrt{d}+\sqrt{\ell/\mu}\big(n^{1/3}d^{1/3}+n^{-2/3}d^{5/6}\big)\big)$, improving the classical tight bound $\tilde{\Theta}\big(n+\sqrt{n\ell/\mu}\big)$. We also prove a quantum lower bound $\tilde{\Omega}(n+n^{3/4}(\ell/\mu)^{1/4})$ when $d$ is large enough. Both our quantum upper and lower bounds can extend to the cases where $\psi$ is not necessarily strongly convex, or each $f_i$ is Lipschitz but not necessarily smooth. In addition, when $F$ is nonconvex, our quantum algorithm can find an $\epsilon$-critial point using $\tilde{O}(n+\ell(d^{1/3}n^{1/3}+\sqrt{d})/\epsilon^2)$ queries.

Neural Temporal Point Processes (TPPs) have emerged as the primary framework for predicting sequences of events that occur at irregular time intervals, but their sequential nature can hamper performance for long-horizon forecasts. To address this, we introduce a novel approach that incorporates a diffusion generative model. The model facilitates sequence-to-sequence prediction, allowing multi-step predictions based on historical event sequences. In contrast to previous approaches, our model directly learns the joint probability distribution of types and inter-arrival times for multiple events. The model is composed of two diffusion processes, one for the time intervals and one for the event types. These processes interact through their respective denoising functions, which can take as input intermediate representations from both processes, allowing the model to learn complex interactions. We demonstrate that our proposal outperforms state-of-the-art baselines for long-horizon forecasting of TPPs.

Despite their groundbreaking performance for many generative modeling tasks, diffusion models have fallen short on discrete data domains such as natural language. Crucially, standard diffusion models rely on the well-established theory of score matching, but efforts to generalize this to discrete structures have not yielded the same empirical gains. In this work, we bridge this gap by proposing score entropy, a novel loss that naturally extends score matching to discrete spaces, integrates seamlessly to build discrete diffusion models, and significantly boosts performance. Experimentally, we test our Score Entropy Discrete Diffusion models (SEDD) on standard language modeling tasks. For comparable model sizes, SEDD beats existing language diffusion paradigms (reducing perplexity by $25$-$75$%) and is competitive with autoregressive models, in particular outperforming GPT-2. Furthermore, compared to autoregressive mdoels, SEDD generates faithful text without requiring distribution annealing techniques like temperature scaling (around $6$-$8\times$ better generative perplexity than un-annealed GPT-2), can trade compute and quality (similar quality with $32\times$ fewer network evaluations), and enables controllable infilling (matching nucleus sampling quality while enabling other strategies besides left to right prompting).

Music generation schemes using language modeling rely on a vocabulary of audio tokens, generally provided as codes in a discrete latent space learnt by an auto-encoder. Multi-stage quantizers are often employed to produce these tokens, therefore the decoding strategy used for token prediction must be adapted to account for multiple codebooks: either it should model the joint distribution over all codebooks, or fit the product of the codebook marginal distributions. Modelling the joint distribution requires a costly increase in the number of auto-regressive steps, while fitting the product of the marginals yields an inexact model unless the codebooks are mutually independent. In this work, we introduce an independence-promoting loss to regularize the auto-encoder used as the tokenizer in language models for music generation. The proposed loss is a proxy for mutual information based on the maximum mean discrepancy principle, applied in reproducible kernel Hilbert spaces. Our criterion is simple to implement and train, and it is generalizable to other multi-stream codecs. We show that it reduces the statistical dependence between codebooks during auto-encoding. This leads to an increase in the generated music quality when modelling the product of the marginal distributions, while generating audio much faster than the joint distribution model.

We provide an efficient replicable algorithm for the problem of learning large-margin halfspaces. Our results improve upon the algorithms provided by Impagliazzo, Lei, Pitassi, and Sorrell (STOC, 2022). We design the first dimension-independent replicable algorithm for this task which runs in polynomial time, is proper, and has strictly improved sample complexity compared to the one achieved by Impagliazzo et al. (STOC, 2022) with respect to all the relevant parameters. Moreover, our algorithm has sample complexity that is optimal with respect to the accuracy parameter $\epsilon$. Departing from the requirement of polynomial time algorithms, using the DP-to-Replicability reduction of Bun et al. (STOC 2023), we show how to obtain a replicable algorithm for large-margin halfspaces with improved sample complexity with respect to the margin parameter $\tau$, but running time doubly exponential in $1/\tau^2$ and worse sample complexity dependence on $\epsilon$ than our previous algorithm. We then design an improved algorithm with better sample complexity than both of our previous algorithms and running time exponential in $1/\tau^{2}.$

Our study addresses the challenge of distinguishing human-written text from Large Language Model (LLM) outputs. We provide evidence that this differentiation is consistently feasible, except when human and machine text distributions are indistinguishable across their entire support. Employing information theory, we show that while detecting machine-generated text becomes harder as it nears human quality, it remains possible with adequate text data. We introduce guidelines on the required text data quantity, either through sample size or sequence length, for reliable AI text detection, through derivations of sample complexity bounds. This research paves the way for advanced detection methods. Our comprehensive empirical tests, conducted across various datasets (Xsum, Squad, IMDb, and Kaggle FakeNews) and with several state-of-the-art text generators (GPT-2, GPT-3.5-Turbo, Llama, Llama-2-13B-Chat-HF, Llama-2-70B-Chat-HF), assess the viability of enhanced detection methods against detectors like RoBERTa-Large/Base-Detector and GPTZero, with increasing sample sizes and sequence lengths. Our findings align with OpenAI's empirical data related to sequence length, marking the first theoretical substantiation for these observations.

We propose Deep Longitudinal Targeted Minimum Loss-based Estimation (Deep LTMLE), a novel approach to estimate the counterfactual mean of outcome under dynamic treatment policies in longitudinal problem settings. Our approach utilizes a transformer architecture with heterogeneous type embedding trained using temporal-difference learning. After obtaining an initial estimate using the transformer, following the targeted minimum loss-based likelihood estimation (TMLE) framework, we statistically corrected for the bias commonly associated with machine learning algorithms. Furthermore, our method also facilitates statistical inference by enabling the provision of 95% confidence intervals grounded in asymptotic statistical theory. Simulation results demonstrate our method's superior performance over existing approaches, particularly in complex, long time-horizon scenarios. It remains effective in small-sample, short-duration contexts, matching the performance of asymptotically efficient estimators. To demonstrate our method in practice, we applied our method to estimate counterfactual mean outcomes for standard versus intensive blood pressure management strategies in a real-world cardiovascular epidemiology cohort study.