ICLR 2024 Papers

Structural pruning of neural networks conventionally relies on identifying and discarding less important neurons, a practice often resulting in significant accuracy loss that necessitates subsequent fine-tuning efforts. This paper introduces a novel approach named Intra-Fusion, challenging this prevailing pruning paradigm. Unlike existing methods that focus on designing meaningful neuron importance metrics, Intra-Fusion redefines the overlying pruning procedure. Through utilizing the concepts of model fusion and Optimal Transport, we leverage an agnostically given importance metric to arrive at a more effective sparse model representation. Notably, our approach achieves substantial accuracy recovery without the need for resource-intensive fine-tuning, making it an efficient and promising tool for neural network compression. Additionally, we explore how fusion can be added to the pruning process to significantly decrease the training time while maintaining competitive performance. We benchmark our results for various networks on commonly used datasets such as CIFAR-10, CIFAR-100, and ImageNet. More broadly, we hope that the proposed Intra-Fusion approach invigorates exploration into a fresh alternative to the predominant compression approaches. Our code is available [here](https://github.com/alexandertheus/Intra-Fusion).

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Spatio-temporal (ST) prediction plays a pivotal role in earth sciences, such as meteorological prediction, urban computing. Adequate high-quality data, coupled with deep models capable of inference, are both indispensable and prerequisite for achieving meaningful results. However, the sparsity of data and the high costs associated with deploying sensors lead to significant data imbalances. Models that are overly tailored and lack causal relationships further compromise the generalizabilities of inference methods. Towards this end, we first establish a causal concept for ST predictions, named NuwaDynamics, which targets to identify causal regions in data and endow model with causal reasoning ability in a two-stage process. Concretely, we initially leverage upstream self-supervision to discern causal important patches, imbuing the model with generalized information and conducting informed interventions on complementary trivial patches to extrapolate potential test distributions. This phase is referred to as the discovery step. Advancing beyond discovery step, we transfer the data to downstream tasks for targeted ST objectives, aiding the model in recognizing a broader potential distribution and fostering its causal perceptual capabilities (refer as Update step). Our concept aligns seamlessly with the contemporary backdoor adjustment mechanism in causality theory. Extensive experiments on six real-world ST benchmarks showcase that models can gain outcomes upon the integration of the NuwaDynamics concept. NuwaDynamics also can significantly benefit a wide range of changeable ST tasks like extreme weather and long temporal step super-resolution predictions.

We introduce a principled way of computing the Wasserstein distance between two distributions in a federated manner. Namely, we show how to estimate the Wasserstein distance between two samples stored and kept on different devices/clients whilst a central entity/server orchestrates the computations (again, without having access to the samples). To achieve this feat, we take advantage of the geometric properties of the Wasserstein distance -- in particular, the triangle inequality -- and that of the associated {\em geodesics}: our algorithm, FedWad (for Federated Wasserstein Distance), iteratively approximates the Wasserstein distance by manipulating and exchanging distributions from the space of geodesics in lieu of the input samples. In addition to establishing the convergence properties of FedWad, we provide empirical results on federated coresets and federate optimal transport dataset distance, that we respectively exploit for building a novel federated model and for boosting performance of popular federated learning algorithms.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited---most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models $\Phi$ and the downstream task is specified by a class of prediction functions $\Psi$. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ``informative'' condition, our algorithm achieves an excess risk of $\\tilde{\\mathcal{O}}(\sqrt{\mathcal{C}\_\Phi/m} + \sqrt{\mathcal{C}\_\Psi/n})$ for downstream tasks, where $\mathcal{C}\_\Phi, \mathcal{C}\_\Psi$ are complexity measures of function classes $\Phi, \Psi$, and $m, n$ are the number of unlabeled and labeled data respectively. Comparing to the baseline of $\tilde{\mathcal{O}}(\sqrt{\mathcal{C}\_{\Phi \circ \Psi}/n})$ achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when $m \gg n$ and $\mathcal{C}\_{\Phi\circ \Psi} > \mathcal{C}\_\Psi$. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset Distillation has reached this completely lossless goal, in part due to the fact that previous methods only remain effective when the total number of synthetic samples is extremely small. Since only so much information can be contained in such a small number of samples, it seems that to achieve truly loss dataset distillation, we must develop a distillation method that remains effective as the size of the synthetic dataset grows. In this work, we present such an algorithm and elucidate why existing methods fail to generate larger, high-quality synthetic sets. Current state-of-the-art methods rely on trajectory-matching, or optimizing the synthetic data to induce similar long-term training dynamics as the real data. We empirically find that the training stage of the trajectories we choose to match (i.e., early or late) greatly affects the effectiveness of the distilled dataset. Specifically, early trajectories (where the teacher network learns easy patterns) work well for a low-cardinality synthetic set since there are fewer examples wherein to distribute the necessary information. Conversely, late trajectories (where the teacher network learns hard patterns) provide better signals for larger synthetic sets since there are now enough samples to represent the necessary complex patterns. Based on our findings, we propose to align the difficulty of the generated patterns with the size of the synthetic dataset. In doing so, we successfully scale trajectory matching-based methods to larger synthetic datasets, achieving lossless dataset distillation for the very first time. Code and distilled datasets will be released.

Accelerating large language model pre-training is a critical issue in present research. In this paper, we focus on speeding up pre-training by progressively growing from a small Transformer structure to a large one. There are two main research problems associated with progressive growth: determining the optimal growth schedule, and designing efficient growth operators. In terms of growth schedule, the impact of each single dimension on a schedule’s efficiency is underexplored by existing work. Regarding the growth operators, existing methods rely on the initialization of new weights to inherit knowledge, and achieve only non-strict function preservation, limiting further improvements on training dynamics. To address these issues, we propose Masked Structural Growth (MSG), including (i) growth schedules involving all possible dimensions and (ii) strictly function-preserving growth operators that is independent of the initialization of new weights. Experiments show that MSG is significantly faster than related work: we achieve up to 2.2x speedup in pre-training different types of language models while maintaining comparable or better downstream performances. Code is publicly available at https://github.com/cofe-ai/MSG.

Federated semi-supervised learning (FSSL) has emerged as a powerful paradigm for collaboratively training machine learning models using distributed data with label deficiency. Advanced FSSL methods predominantly focus on training a single model on each client. However, this approach could lead to a discrepancy between the objective functions of labeled and unlabeled data, resulting in gradient conflicts. To alleviate gradient conflict, we propose a novel twin-model paradigm, called **Twinsight**, designed to enhance mutual guidance by providing insights from different perspectives of labeled and unlabeled data. In particular, Twinsight concurrently trains a supervised model with a supervised objective function while training an unsupervised model using an unsupervised objective function. To enhance the synergy between these two models, Twinsight introduces a neighborhood-preserving constraint, which encourages the preservation of the neighborhood relationship among data features extracted by both models. Our comprehensive experiments on four benchmark datasets provide substantial evidence that Twinsight can significantly outperform state-of-the-art methods across various experimental settings, demonstrating the efficacy of the proposed Twinsight.

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is prevalent in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we make reasonable assumptions to allow the help of some prior knowledge of the application domain. Under this problem setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is systematically evaluated on 8 real-world datasets under different settings, and exhibits consistently top performance. We also demonstrate benefits of the reconstructed hypergraphs through use cases of protein rankings and link predictions.

In Self-Supervised Learning (SSL), models are typically pretrained, fine-tuned, and evaluated on the same domains. However, they tend to perform poorly when evaluated on unseen domains, a challenge that Unsupervised Domain Generalization (UDG) seeks to address. Current UDG methods rely on domain labels, which are often challenging to collect, and domain-specific architectures that lack scalability when confronted with numerous domains, making the current methodology impractical and rigid. Inspired by contrastive-based UDG methods that mitigate spurious correlations by restricting comparisons to examples from the same domain, we hypothesize that eliminating style variability within a batch could provide a more convenient and flexible way to reduce spurious correlations without requiring domain labels. To verify this hypothesis, we introduce Batch Styles Standardization (BSS), a relatively simple yet powerful Fourier-based method to standardize the style of images in a batch specifically designed for integration with SSL methods to tackle UDG. Combining BSS with existing SSL methods offers serious advantages over prior UDG methods: (1) It eliminates the need for domain labels or domain-specific network components to enhance domain-invariance in SSL representations, and (2) offers flexibility as BSS can be seamlessly integrated with diverse contrastive-based but also non-contrastive-based SSL methods. Experiments on several UDG datasets demonstrate that it significantly improves downstream task performances on unseen domains, often outperforming or rivaling UDG methods. Finally, this work clarifies the underlying mechanisms contributing to BSS's effectiveness in improving domain-invariance in SSL representations and performances on unseen domains. Implementations of the extended SSL methods and BSS are provided at this [url](https://gitlab.com/vitadx/articles/towards-domain-invariant-ssl-through-bss).

Recent research has highlighted the potential of large language models (LLMs) to improve their problem-solving capabilities with the aid of suitable external tools. In our work, we further advance this concept by introducing a closed- loop framework, referred to as LLMs A s Tool Makers (LATM), where LLMs create their own reusable tools for problem-solving. Our approach consists of two phases: 1) tool making: an LLM acts as the tool maker that crafts tools for a set of tasks, where a tool is implemented as a Python utility function. 2) tool using: another LLM acts as the tool user, which applies the tool built by the tool maker for problem-solving. The tool user can be either the same or a different LLM from the tool maker. On the problem-solving server side, tool-making enables continual tool generation and caching as new requests emerge. This framework enables subsequent requests to access cached tools via their corresponding APIs, enhancing the efficiency of task resolution. Beyond enabling LLMs to create their own tools, our framework also uncovers intriguing opportunities to optimize the serving cost of LLMs: Recognizing that tool-making requires more sophisticated capabilities, we assign this task to a powerful, albeit resource-intensive, model. Conversely, the simpler tool-using phase is delegated to a lightweight model. This strategic division of labor allows the once-off cost of tool-making to be spread over multiple instances of tool-using, significantly reducing average costs while maintaining strong performance. Furthermore, our method offers a functional cache through the caching and reuse of tools, which stores the functionality of a class of requests instead of the natural language responses from LLMs, thus extending the applicability of the conventional cache mechanism. We evaluate our approach across various complex reasoning tasks, including Big-Bench tasks. With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM demonstrates performance equivalent to using GPT-4 for both roles, but with a significantly reduced inference cost.

Neural architecture search (NAS) has become a key component of AutoML and a standard tool to automate the design of deep neural networks. Recently, training-free NAS as an emerging paradigm has successfully reduced the search costs of standard training-based NAS by estimating the true architecture performance with only training-free metrics. Nevertheless, the estimation ability of these metrics typically varies across different tasks, making it challenging to achieve robust and consistently good search performance on diverse tasks with only a single training-free metric. Meanwhile, the estimation gap between training-free metrics and the true architecture performances limits training-free NAS to achieve superior performance. To address these challenges, we propose the robustifying and boosting training-free NAS (RoBoT) algorithm which (a) employs the optimized combination of existing training-free metrics explored from Bayesian optimization to develop a robust and consistently better-performing metric on diverse tasks, and (b) applies greedy search, i.e., the exploitation, on the newly developed metric to bridge the aforementioned gap and consequently to boost the search performance of standard training-free NAS further. Remarkably, the expected performance of our RoBoT can be theoretically guaranteed, which improves over the existing training-free NAS under mild conditions with additional interesting insights. Our extensive experiments on various NAS benchmark tasks yield substantial empirical evidence to support our theoretical results.

Learning Rate Rewinding (LRR) has been established as a strong variant of Iterative Magnitude Pruning (IMP) to find lottery tickets in deep overparameterized neural networks. While both iterative pruning schemes couple structure and parameter learning, understanding how LRR excels in both aspects can bring us closer to the design of more flexible deep learning algorithms that can optimize diverse sets of sparse architectures. To this end, we conduct experiments that disentangle the effect of mask learning and parameter optimization and how both benefit from overparameterization. The ability of LRR to flip parameter signs early and stay robust to sign perturbations seems to make it not only more effective in mask identification but also in optimizing diverse sets of masks, including random ones. In support of this hypothesis, we prove in a simplified single hidden neuron setting that LRR succeeds in more cases than IMP, as it can escape initially problematic sign configurations.

Unsupervised video object learning seeks to decompose video scenes into structural object representations without any supervision from depth, optical flow, or segmentation. We present VONet, an innovative approach that is inspired by MONet. While utilizing a U-Net architecture, VONet employs an efficient and effective parallel attention inference process, generating attention masks for all slots simultaneously. Additionally, to enhance the temporal consistency of each mask across consecutive video frames, VONet develops an object-wise sequential VAE framework. The integration of these innovative encoder-side techniques, in conjunction with an expressive transformer-based decoder, establishes VONet as the leading unsupervised method for object learning across five MOVI datasets, encompassing videos of diverse complexities. Code is available at https://github.com/hnyu/vonet.

Understanding and developing optimal representations has long been foundational in machine learning (ML). While disentangled representations have shown promise in generative modeling and representation learning, their downstream usefulness remains debated. Recent studies re-defined disentanglement through a formal connection to symmetries, emphasizing the ability to reduce latent domains (i.e., ML problem spaces) and consequently enhance data efficiency and generative capabilities. However, from an information theory viewpoint, assigning a complex attribute (i.e., features) to a specific latent variable may be infeasible, limiting the applicability of disentangled representations to simple datasets. In this work, we introduce $\alpha$-TCVAE, a variational autoencoder optimized using a novel total correlation (TC) lower bound that maximizes disentanglement and latent variables informativeness. The proposed TC bound is grounded in information theory constructs, generalizes the $\beta$-VAE lower bound, and can be reduced to a convex combination of the known variational information bottleneck (VIB) and conditional entropy bottleneck (CEB) terms. Moreover, we present quantitative analyses and correlation studies that support the idea that smaller latent domains (i.e., disentangled representations) lead to better generative capabilities and diversity. Additionally, we perform downstream task experiments from both representation and RL domains to assess our questions from a broader ML perspective. Our results demonstrate that $\alpha$-TCVAE consistently learns more disentangled representations than baselines and generates more diverse observations without sacrificing visual fidelity. Notably, $\alpha$-TCVAE exhibits marked improvements on MPI3D-Real, the most realistic disentangled dataset in our study, confirming its ability to represent complex datasets when maximizing the informativeness of individual variables. Finally, testing the proposed model off-the-shelf on a state-of-the-art model-based RL agent, Director, significantly shows $\alpha$-TCVAE downstream usefulness on the loconav Ant Maze task. Implementation available at https://github.com/Cmeo97/Alpha-TCVAE

The advent of large pre-trained models has brought about a paradigm shift in both visual representation learning and natural language processing. However, clustering unlabeled images, as a fundamental and classic machine learning problem, still lacks an effective solution, particularly for large-scale datasets. In this paper, we propose a novel image clustering pipeline that leverages the powerful feature representation of large pre-trained models such as CLIP and cluster images effectively and efficiently at scale. We first developed a novel algorithm to estimate the number of clusters in a given dataset. We then show that the pre-trained features are significantly more structured by further optimizing the rate reduction objective. The resulting features may significantly improve the clustering accuracy, e.g., from 57\% to 66\% on ImageNet-1k. Furthermore, by leveraging CLIP's multimodality bridge between image and text, we develop a simple yet effective self-labeling algorithm that produces meaningful text labels for the clusters. Through extensive experiments, we show that our pipeline works well on standard datasets such as CIFAR-10, CIFAR-100, and ImageNet-1k. It also extends to datasets without predefined labels, such as LAION-Aesthetics and WikiArts.

As of September 2023, ChatGPT correctly answers “what is 7+8” with 15, but when asked “7+8=15, True or False” it responds with “False”. This inconsistency between generating and validating an answer is prevalent in language models (LMs) and erodes trust. In this paper, we propose a framework for measuring the consistency between generation and validation (which we call generator-validator consistency, or GV-consistency), finding that even GPT-4 (0613), a state-of-the-art LM, is GV-consistent only 76% of the time. To improve the consistency of LMs, we propose to finetune on the filtered generator and validator responses that are GV-consistent, and call this approach consistency fine-tuning. We find that this approach improves GV-consistency of Alpaca-30B from 60% to 93%, and the improvement extrapolates to unseen tasks and domains (e.g., GV-consistency for positive style transfers extrapolates to unseen styles like humor). In addition to improving consistency, consistency fine-tuning improves both generator quality and validator accuracy without using any labeled data. Evaluated across 6 tasks, including math questions, knowledge-intensive QA, and instruction following, our method improves generator quality by an average of 16% and validator accuracy by an average of 6.3% across all tasks.

The extraction of object-centric representations for downstream tasks is an emerging area of research. Learning grounded representations of objects that are guaranteed to be stable and invariant promises robust performance across different tasks and environments. Slot Attention (SA) learns object-centric representations by assigning objects to *slots*, but presupposes a *single* distribution from which all slots are randomly initialised. This results in an inability to learn *specialized* slots which bind to specific object types and remain invariant to identity-preserving changes in object appearance. To address this, we present *Conditional Slot Attention* (CoSA) using a novel concept of *Grounded Slot Dictionary* (GSD) inspired by vector quantization. Our proposed GSD comprises (i) canonical object-level property vectors and (ii) parametric Gaussian distributions, which define a prior over the slots. We demonstrate the benefits of our method in multiple downstream tasks such as scene generation, composition, and task adaptation, whilst remaining competitive with SA in object discovery.

Large Language Models (LLMs) with billions of parameters have drastically transformed AI applications. However, their demanding computation during inference has raised significant challenges for deployment on resource-constrained devices. Despite recent trends favoring alternative activation functions such as GELU or SiLU, known for increased computation, this study strongly advocates for reinstating ReLU activation in LLMs. We demonstrate that using the ReLU activation function has a negligible impact on convergence and performance while significantly reducing computation and weight transfer. This reduction is particularly valuable during the memory-bound inference step, where efficiency is paramount. Exploring sparsity patterns in ReLU-based LLMs, we unveil the reutilization of activated neurons for generating new tokens and leveraging these insights, we propose practical strategies to substantially reduce LLM inference computation up to three times, using ReLU activations with minimal performance trade-offs.