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Miscellaneous Aspects of Machine Learning · Representation Learning

Jiabin Lin, Shana Moothedath, Namrata Vaswani

We study how representation learning can improve the learning efficiency of contextual bandit problems. We study the setting where we play T linear contextual bandits with dimension simultaneously, and these T bandit tasks collectively share a common linear representation with a dimensionality of r ≪ d. We present a new algorithm based on alternating projected gradient descent (GD) and minimization estimator to recover a low-rank feature matrix. We obtain constructive provable guarantees for our estimator that provide a lower bound on the required sample complexity and an upper bound on the iteration complexity (total number of iterations needed to achieve a certain error level). Using the proposed estimator, we present a multi-task learning algorithm for linear contextual bandits and prove the regret bound of our algorithm. We presented experiments and compared the performance of our algorithm against benchmark algorithms.

Optimization · Large Scale, Parallel and Distributed

Yujia Wang, Shiqiang Wang, Songtao Lu, Jinghui Chen

Federated learning (FL) has emerged as a widely adopted training paradigm for privacy-preserving machine learning. While the SGD-based FL algorithms have demonstrated considerable success in the past, there is a growing trend towards adopting adaptive federated optimization methods, particularly for the training of large-scale models. However, the conventional synchronous aggregation design poses a significant challenge to the practical deployment of those adaptive federated optimization methods, particularly in the presence of straggler clients. To fill this research gap, this paper introduces federated adaptive asynchronous optimization, named FADAS, a novel method that incorporates asynchronous updates into adaptive federated optimization with provable guarantees. To further enhance the efficiency and resilience of our proposed method in scenarios with significant asynchronous delays, we also extend FADAS with a delay-adaptive learning adjustment strategy. We rigorously establish the convergence rate of the proposed algorithms and empirical results demonstrate the superior performance of FADAS over other asynchronous FL baselines.

Deep Learning · Large Language Models

Junhong Shen, Neil Tenenholtz, James Hall, David Alvarez-Melis, Nicolò Fusi

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM’s embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM’s performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Optimization · Optimization and Learning under Uncertainty

Dingzhi Yu, Yunuo Cai, Wei Jiang, Lijun Zhang

In this paper, we investigate the empirical counterpart of Group Distributionally Robust Optimization (GDRO), which aims to minimize the maximal empirical risk across $m$ distinct groups. We formulate empirical GDRO as a *two-level* finite-sum convex-concave minimax optimization problem and develop an algorithm called ALEG to benefit from its special structure. ALEG is a double-looped stochastic primal-dual algorithm that incorporates variance reduction techniques into a modified mirror prox routine. To exploit the two-level finite-sum structure, we propose a simple group sampling strategy to construct the stochastic gradient with a smaller Lipschitz constant and then perform variance reduction for all groups. Theoretical analysis shows that ALEG achieves $\varepsilon$-accuracy within a computation complexity of $\mathcal{O}\left(\frac{m\sqrt{\bar{n}\ln{m}}}{\varepsilon}\right)$, where $\bar n$ is the average number of samples among $m$ groups. Notably, our approach outperforms the state-of-the-art method by a factor of $\sqrt{m}$. Based on ALEG, we further develop a two-stage optimization algorithm called ALEM to deal with the empirical Minimax Excess Risk Optimization (MERO) problem. The computation complexity of ALEM nearly matches that of ALEG, surpassing the rates of existing methods.

Deep Learning · Large Language Models

Johannes A. Schubert, Akshay Kumar Jagadish, Marcel Binz, Eric Schulz

We study the in-context learning dynamics of large language models (LLMs) using three instrumental learning tasks adapted from cognitive psychology. We find that LLMs update their beliefs in an asymmetric manner and learn more from better-than-expected outcomes than from worse-than-expected ones. Furthermore, we show that this effect reverses when learning about counterfactual feedback and disappears when no agency is implied. We corroborate these findings by investigating idealized in-context learning agents derived through meta-reinforcement learning, where we observe similar patterns. Taken together, our results contribute to our understanding of how in-context learning works by highlighting that the framing of a problem significantly influences how learning occurs, a phenomenon also observed in human cognition.

Miscellaneous Aspects of Machine Learning · Kernel methods

Lukas Gruber, Markus Holzleitner, Johannes Lehner, Sepp Hochreiter, Werner Zellinger

Estimating the ratio of two probability densities from finitely many samples, is a central task in machine learning and statistics. In this work, we show that a large class of kernel methods for density ratio estimation suffers from error saturation, which prevents algorithms from achieving fast error convergence rates on highly regular learning problems. To resolve saturation, we introduce iterated regularization in density ratio estimation to achieve fast error rates. Our methods outperform its non-iteratively regularized versions on benchmarks for density ratio estimation as well as on large-scale evaluations for importance-weighted ensembling of deep unsupervised domain adaptation models.

Deep Learning · Large Language Models

Vassilis Papadopoulos, Jérémie Wenger, Clement Hongler

We study the probabilistic modeling performed by Autoregressive Large Language Models (LLMs) through the angle of time directionality, addressing a question first raised in (Shannon, 1951). For large enough models, we empirically find a time asymmetry in their ability to learn natural language: a difference in the average log-perplexity when trying to predict the next token versus when trying to predict the previous one. This difference is at the same time subtle and very consistent across various modalities (language, model size, training time, ...). Theoretically, this is surprising: from an information-theoretic point of view, there should be no such difference. We provide a theoretical framework to explain how such an asymmetry can appear from sparsity and computational complexity considerations, and outline a number of perspectives opened by our results.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Weiming Zhuang, Jian Xu, Chen Chen, Jingtao Li, Lingjuan Lyu

We present COALA, a vision-centric Federated Learning (FL) platform, and a suite of benchmarks for practical FL scenarios, which we categorize as task, data, and model levels. At the task level, COALA extends support from simple classification to 15 computer vision tasks, including object detection, segmentation, pose estimation, and more. It also facilitates federated multiple-task learning, allowing clients to train on multiple tasks simultaneously. At the data level, COALA goes beyond supervised FL to benchmark both semi-supervised FL and unsupervised FL. It also benchmarks feature distribution shifts other than commonly considered label distribution shifts. In addition to dealing with static data, it supports federated continual learning for continuously changing data in real-world scenarios. At the model level, COALA benchmarks FL with split models and different models in different clients. COALA platform offers three degrees of customization for these practical FL scenarios, including configuration customization, components customization, and workflow customization. We conduct systematic benchmarking experiments for the practical FL scenarios and highlight potential opportunities for further advancements in FL.

Deep Learning · Large Language Models

Weizhe Yuan, Richard Yuanzhe Pang, Kyunghyun Cho, Xian Li, Sainbayar Sukhbaatar, Jing Xu, JASON WESTON

We posit that to achieve superhuman agents, future models require superhuman feedback in order to provide an adequate training signal. Current approaches commonly train reward models from human preferences, which may then be bottlenecked by human performance level, and secondly these reward models require additional human preferences data to further improve.In this work, we study Self-Rewarding Language Models, where the language model itself is used via LLM-as-a-Judge prompting to provide its own rewards during training. We show that during Iterative DPO training, not only does instruction following ability improve, but also the ability to provide high-quality rewards to itself. Fine-tuning Llama 2 70B on three iterations of our approach yields a model that outperforms many existing systems on the AlpacaEval 2.0 leaderboard, including Claude 2, Gemini Pro, and GPT-4 0613. While there is much left still to explore, this work opens the door to the possibility of models that can continually improve in both axes.

Shuyu Cheng, Yibo Miao, Yinpeng Dong, Xiao Yang, Xiao-Shan Gao, Jun Zhu

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.

Applications · Health

Chen-Yu Yen, raghav singhal, Umang Sharma, Rajesh Ranganath, Sumit Chopra, Lerrel Pinto

Magnetic Resonance (MR) imaging, despite its proven diagnostic utility, remains an inaccessible imaging modality for disease surveillance at the population level. A major factor rendering MR inaccessible is lengthy scan times. An MR scanner collects measurements associated with the underlying anatomy in the Fourier space, also known as the k-space. Creating a high-fidelity image requires collecting large quantities of such measurements, increasing the scan time. Traditionally to accelerate an MR scan, image reconstruction from under-sampled k-space data is the method of choice. However, recent works show the feasibility of bypassing image reconstruction and directly learning to detect disease directly from a sparser learned subset of the k-space measurements. In this work, we propose Adaptive Sampling for MR (ASMR), a sampling method that learns an adaptive policy to sequentially select k-space samples to optimize for target disease detection. On 6 out of 8 pathology classification tasks spanning the Knee, Brain, and Prostate MR scans, ASMR reaches within 2% of the performance of a fully sampled classifier while using only 8% of the k-space, as well as outperforming prior state-of-the-art work in k-space sampling such as EMRT, LOUPE, and DPS.

Michael Albergo, Mark Goldstein, Nicholas Boffi, Rajesh Ranganath, Eric Vanden-Eijnden

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to *couple* the base and the target densities, whereby samples from the base are computed conditionally given samples from the target in a way that is different from (but does not preclude) incorporating information about class labels or continuous embeddings. This enables us to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting. The code is available at [https://github.com/interpolants/couplings](https://github.com/interpolants/couplings).

Deep Learning · Generative Models and Autoencoders

raghav singhal, Mark Goldstein, Rajesh Ranganath

Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a Gaussian stationary distribution, limiting the kinds of models that can be built to those that target a Gaussian prior or more generally limits the kinds of problems that can be generically solved to those that have conditionally linear score functions. In this work, we introduce a family of tractable denoising score matching objectives, called local-DSM, built using local increments of the diffusion process. We show how local-DSM melded with Taylor expansions enables automated training and score estimation with nonlinear diffusion processes. To demonstrate these ideas, we use automated-DSM to train generative models using non-Gaussian priors on challenging low dimensional distributions and the CIFAR10 image dataset. Additionally, we use the automated-DSM to learn the scores for nonlinear processes studied in statistical physics.

Deep Learning · Generative Models and Autoencoders

Jiatao Gu, Chen Wang, Shuangfei Zhai, Yizhe Zhang, Lingjie Liu, Joshua M Susskind

Diffusion models have demonstrated great potential for generating diverse images. However, their performance often suffers from slow generation due to iterative denoising. Knowledge distillation has been recently proposed as a remedy which can reduce the number of inference steps to one or a few, without significant quality degradation. However, existing distillation methods either require significant amounts of offline computation for generating synthetic training data from the teacher model, or need to perform expensive online learning with the help of real data. In this work, we present a novel technique called BOOT, that overcomes these limitations with an efficient data-free distillation algorithm. The core idea is to learn a time-conditioned model that predicts the output of a pre-trained diffusion model teacher given any time-step. Such a model can be efficiently trained based on bootstrapping from two consecutive sampled steps. Furthermore, our method can be easily adapted to large-scale text-to-image diffusion models, which are challenging for previous methods given the fact that the training sets are often large and difficult to access. We demonstrate the effectiveness of our approach on several benchmark datasets in the DDIM setting, achieving comparable generation quality while being orders of magnitude faster than the diffusion teacher. The text-to-image results show that the proposed approach is able to handle highly complex distributions, shedding light on more efficient generative modeling.

Reinforcement Learning · Deep RL

Yucen Wang, Shenghua Wan, Le Gan, Shuai Feng, De-Chuan Zhan

Model-based methods have significantly contributed to distinguishing task-irrelevant distractors for visual control. However, prior research has primarily focused on heterogeneous distractors like noisy background videos, leaving homogeneous distractors that closely resemble controllable agents largely unexplored, which poses significant challenges to existing methods. To tackle this problem, we propose Implicit Action Generator (IAG) to learn the implicit actions of visual distractors, and present a new algorithm named implicit Action-informed Diverse visual Distractors Distinguisher (AD3), that leverages the action inferred by IAG to train separated world models. Implicit actions effectively capture the behavior of background distractors, aiding in distinguishing the task-irrelevant components, and the agent can optimize the policy within the task-relevant state space. Our method achieves superior performance on various visual control tasks featuring both heterogeneous and homogeneous distractors. The indispensable role of implicit actions learned by IAG is also empirically validated.

Deep Learning

Zhe Zhao, Pengkun Wang, HaiBin Wen, Wei Xu, LAI Song, Qingfu Zhang, Yang Wang

Real-world data generally follows a long-tailed distribution, which makes traditional high-performance training strategies unable to show their usual effects. Various insights have been proposed to alleviate this challenging distribution. However, some observations indicate that models trained on long-tailed distributions always show a trade-off between the performance of head and tail classes. For a profound understanding of the trade-off, we first theoretically analyze the trade-off problem in long-tailed learning and creatively transform the trade-off problem in long-tailed learning into a multi-objective optimization (MOO) problem. Motivated by these analyses, we propose the idea of strategy fusion for MOO long-tailed learning and point out the potential conflict problem. We further design a Multi-Objective Optimization based Strategy Fusion (MOOSF), which effectively resolves conflicts, and achieves an efficient fusion of heterogeneous strategies. Comprehensive experiments on mainstream datasets show that even the simplest strategy fusion can outperform complex long-tailed strategies. More importantly, it provides a new perspective for generalized long-tailed learning. The code is available in the accompanying supplementary materials.

Deep Learning · Graph Neural Networks

Maya Bechler-Speicher, Ido Amos, Ran Gilad-Bachrach, Amir Globerson

Predictions over graphs play a crucial role in various domains, including social networks and medicine. Graph Neural Networks (GNNs) have emerged as the dominant approach for learning on graph data. Although a graph-structure is provided as input to the GNN, in some cases the best solution can be obtained by ignoring it. While GNNs have the ability to ignore the graph-structure in such cases, it is not clear that they will. In this work, we show that GNNs actually tend to overfit the given graph-structure in the sense that they use it even when a better solution can be obtained by ignoring it. We analyze the implicit bias of gradient-descent learning of GNNs and prove that when the ground truth function does not use the graphs, GNNs are not guaranteed to learn a solution that ignores the graph, even with infinite data. We examine this phenomenon with respect to different graph distributions and find that regular graphs are more robust to this overfitting. We also prove that within the family of regular graphs, GNNs are guaranteed to extrapolate when learning with gradient descent. Finally, based on our empirical and theoretical findings, we demonstrate on real-data how regular graphs can be leveraged to reduce graph overfitting and enhance performance.

Deep Learning · Theory

Jan Stanczuk, Georgios Batzolis, Teo Deveney, Carola-Bibiane Schönlieb

In this work, we provide a mathematical proof that diffusion models encode data manifolds by approximating their normal bundles. Based on this observation we propose a novel method for extracting the intrinsic dimension of the data manifold from a trained diffusion model. Our insights are based on the fact that a diffusion model approximates the score function i.e. the gradient of the log density of a noise-corrupted version of the target distribution for varying levels of corruption. We prove that as the level of corruption decreases, the score function points towards the manifold, as this direction becomes the direction of maximal likelihood increase. Therefore, at low noise levels, the diffusion model provides us with an approximation of the manifold's normal bundle, allowing for an estimation of the manifold's intrinsic dimension. To the best of our knowledge our method is the first estimator of intrinsic dimension based on diffusion models and it outperforms well established estimators in controlled experiments on both Euclidean and image data.

Deep Learning · Large Language Models

Jon Saad-Falcon, Daniel Y Fu, Simran Arora, Neel Guha, Christopher Re

Retrieval pipelines are an integral component of many machine learning systems. However, they perform poorly in domains where documents are long (e.g., 10K tokens or more) and where identifying the relevant document requires synthesizing information across the entire text. Developing long-context retrieval encoders suitable for these domains raises three challenges: (1) how to evaluate long-context retrieval performance, (2) how to pretrain a base language model to represent both short contexts (corresponding to queries) and long contexts (corresponding to documents), and (3) how to finetune this model for retrieval under the batch size limitations imposed by GPU memory constraints. To address these challenges, we first introduce LoCoV1, a 12 task benchmark constructed to measure long-context retrieval where chunking is not possible or not effective. We next present the M2-BERT retrieval encoder, an 80M parameter state-space encoder model built from the Monarch Mixer architecture, capable of scaling to documents up to 32K tokens long. We describe a pretraining data mixture which allows this encoder to process both short and long context sequences, and a finetuning approach that adapts this base model to retrieval with only single-sample batches. Finally, we validate the M2-BERT retrieval encoder on LoCoV1, finding that it outperforms competitive Transformer-based models by at least 22.2 points, despite containing 90× fewer parameters.

William Swartworth, David Woodruff

We introduce a new approach for applying sampling-based sketches to two and three mode tensors. We illustrate our technique to construct sketches for the classical problems of $\ell_0$ sampling and producing $\ell_1$ embeddings. In both settings we achieve sketches that can be applied to a rank one tensor in $(\mathbb{R}^d)^{\otimes q}$ (for $q=2,3$) in time scaling with $d$ rather than $d^2$ or $d^3$. Our main idea is a particular sampling construction based on fast convolution which allows us to quickly compute sums over sufficiently random subsets of tensor entries.