OpenRaiser/Intern-Atlas huggingface dataset:
Givens Coordinate Descent Methods for Rotation Matrix Learning in Trainable Embedding Indexes
Venue: Conference ICLR 2022
Year: 2022

Product quantization (PQ) coupled with a space rotation, is widely used in modern approximate nearest neighbor (ANN) search systems to significantly compress the disk storage for embeddings and speed up the inner product computation. Existing rotation learning methods, however, minimize quantization distortion for fixed embeddings, which are not applicable to an end-to-end training scenario where embeddings are updated constantly. In this paper, based on geometric intuitions from Lie group theory, in particular the special orthogonal group $SO(n)$, we propose a family of block Givens coordinate descent algorithms to learn rotation matrix that are provably convergent on any convex objectives. Compared to the state-of-the-art SVD method, the Givens algorithms are much more parallelizable, reducing runtime by orders of magnitude on modern GPUs, and converge more stably according to experimental studies. They further improve upon vanilla product quantization significantly in an end-to-end training scenario.
Automated Self-Supervised Learning for Graphs
Venue: Conference ICLR 2022
Year: 2022

Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that different pretext tasks affect downstream tasks differently cross datasets, which suggests that searching pretext tasks is crucial for graph self-supervised learning. Different from existing works focusing on designing single pretext tasks, this work aims to investigate how to automatically leverage multiple pretext tasks effectively. Nevertheless, evaluating representations derived from multiple pretext tasks without direct access to ground truth labels makes this problem challenging. To address this obstacle, we make use of a key principle of many real-world graphs, i.e., homophily, or the principle that "like attracts like," as the guidance to effectively search various self-supervised pretext tasks. We provide theoretical understanding and empirical evidence to justify the flexibility of homophily in this search task. Then we propose the AutoSSL framework which can automatically search over combinations of various self-supervised tasks. By evaluating the framework on 7 real-world datasets, our experimental results show that AutoSSL can significantly boost the performance on downstream tasks including node clustering and node classification compared with training under individual tasks. Code is released at https://github.com/ChandlerBang/AutoSSL.
Learning to Downsample for Segmentation of Ultra-High Resolution Images
Venue: Conference ICLR 2022
Year: 2022

Many computer vision systems require low-cost segmentation algorithms based on deep learning, either because of the enormous size of input images or limited computational budget. Common solutions uniformly downsample the input images to meet memory constraints, assuming all pixels are equally informative. In this work, we demonstrate that this assumption can harm the segmentation performance because the segmentation difficulty varies spatially. We combat this problem by introducing a learnable downsampling module, which can be optimised together with the given segmentation model in an end-to-end fashion. We formulate the problem of training such downsampling module as optimisation of sampling density distributions over the input images given their low-resolution views. To defend against degenerate solutions (e.g. over-sampling trivial regions like the backgrounds), we propose a regularisation term that encourages the sampling locations to concentrate around the object boundaries. We find the downsampling module learns to sample more densely at difficult locations, thereby improving the segmentation performance. Our experiments on benchmarks of high-resolution street view, aerial and medical images demonstrate substantial improvements in terms of efficiency-and-accuracy trade-off compared to both uniform downsampling and two recent advanced downsampling techniques.
On the Convergence of mSGD and AdaGrad for Stochastic Optimization
Venue: Conference ICLR 2022
Year: 2022

As one of the most fundamental stochastic optimization algorithms, stochastic gradient descent (SGD) has been intensively developed and extensively applied in machine learning in the past decade. There have been some modified SGD-type algorithms, which outperform the SGD in many competitions and applications in terms of convergence rate and accuracy, such as momentum-based SGD (mSGD) and adaptive gradient algorithm (AdaGrad). Despite these empirical successes, the theoretical properties of these algorithms have not been well established due to technical difficulties. With this motivation, we focus on convergence analysis of mSGD and AdaGrad for any smooth (possibly non-convex) loss functions in stochastic optimization. First, we prove that the iterates of mSGD are asymptotically convergent to a connected set of stationary points with probability one, which is more general than existing works on subsequence convergence or convergence of time averages. Moreover, we prove that the loss function of mSGD decays at a certain rate faster than that of SGD. In addition, we prove the iterates of AdaGrad are asymptotically convergent to a connected set of stationary points with probability one. Also, this result extends the results from the literature on subsequence convergence and the convergence of time averages. Despite the generality of the above convergence results, we have relaxed some assumptions of gradient noises, convexity of loss functions, as well as boundedness of iterates.
Unsupervised Learning of Full-Waveform Inversion: Connecting CNN and Partial Differential Equation in a Loop
Venue: Conference ICLR 2022
Year: 2022

This paper investigates unsupervised learning of Full-Waveform Inversion (FWI), which has been widely used in geophysics to estimate subsurface velocity maps from seismic data. This problem is mathematically formulated by a second order partial differential equation (PDE), but is hard to solve. Moreover, acquiring velocity map is extremely expensive, making it impractical to scale up a supervised approach to train the mapping from seismic data to velocity maps with convolutional neural networks (CNN). We address these difficulties by integrating PDE and CNN in a loop, thus shifting the paradigm to unsupervised learning that only requires seismic data. In particular, we use finite difference to approximate the forward modeling of PDE as a differentiable operator (from velocity map to seismic data) and model its inversion by CNN (from seismic data to velocity map). Hence, we transform the supervised inversion task into an unsupervised seismic data reconstruction task. We also introduce a new large-scale dataset OpenFWI, to establish a more challenging benchmark for the community. Experiment results show that our model (using seismic data alone) yields comparable accuracy to the supervised counterpart (using both seismic data and velocity map). Furthermore, it outperforms the supervised model when involving more seismic data.
Understanding Dimensional Collapse in Contrastive Self-supervised Learning
Venue: Conference ICLR 2022
Year: 2022

Self-supervised visual representation learning aims to learn useful representations without relying on human annotations. Joint embedding approach bases on maximizing the agreement between embedding vectors from different views of the same image. Various methods have been proposed to solve the collapsing problem where all embedding vectors collapse to a trivial constant solution. Among these methods, contrastive learning prevents collapse via negative sample pairs. It has been shown that non-contrastive methods suffer from a lesser collapse problem of a different nature: dimensional collapse, whereby the embedding vectors end up spanning a lower-dimensional subspace instead of the entire available embedding space. Here, we show that dimensional collapse also happens in contrastive learning. In this paper, we shed light on the dynamics at play in contrastive learning that leads to dimensional collapse. Inspired by our theory, we propose a novel contrastive learning method, called DirectCLR, which directly optimizes the representation space without relying on an explicit trainable projector. Experiments show that DirectCLR outperforms SimCLR with a trainable linear projector on ImageNet.
Mention Memory: incorporating textual knowledge into Transformers through entity mention attention
Venue: Conference ICLR 2022
Year: 2022

Natural language understanding tasks such as open-domain question answering often require retrieving and assimilating factual information from multiple sources. We propose to address this problem by integrating a semi-parametric representation of a large text corpus into a Transformer model as a source of factual knowledge. Specifically, our method represents knowledge with `mention memory', a table of dense vector representations of every entity mention in a corpus. The proposed model - TOME - is a Transformer that accesses the information through internal memory layers in which each entity mention in the input passage attends to the mention memory. This approach enables synthesis of and reasoning over many disparate sources of information within a single Transformer model. In experiments using a memory of 150 million Wikipedia mentions, TOME achieves strong performance on several open-domain knowledge-intensive tasks, including the claim verification benchmarks HoVer and FEVER and several entity-based QA benchmarks. We also show that the model learns to attend to informative mentions without any direct supervision. Finally we demonstrate that the model can generalize to new unseen entities by updating the memory without retraining.
Learning Multimodal VAEs through Mutual Supervision
Venue: Conference ICLR 2022
Year: 2022

Multimodal VAEs seek to model the joint distribution over heterogeneous data (e.g.\ vision, language), whilst also capturing a shared representation across such modalities. Prior work has typically combined information from the modalities by reconciling idiosyncratic representations directly in the recognition model through explicit products, mixtures, or other such factorisations. Here we introduce a novel alternative, the MEME, that avoids such explicit combinations by repurposing semi-supervised VAEs to combine information between modalities implicitly through mutual supervision. This formulation naturally allows learning from partially-observed data where some modalities can be entirely missing -- something that most existing approaches either cannot handle, or do so to a limited extent. We demonstrate that MEME outperforms baselines on standard metrics across both partial and complete observation schemes on the MNIST-SVHN (image-image) and CUB (image-text) datasets. We also contrast the quality of the representations learnt by mutual supervision against standard approaches and observe interesting trends in its ability to capture relatedness between data.
Back2Future: Leveraging Backfill Dynamics for Improving Real-time Predictions in Future
Venue: Conference ICLR 2022
Year: 2022

In real-time forecasting in public health, data collection is a non-trivial and demanding task. Often after initially released, it undergoes several revisions later (maybe due to human or technical constraints) - as a result, it may take weeks until the data reaches to a stable value. This so-called 'backfill' phenomenon and its effect on model performance has been barely studied in the prior literature. In this paper, we introduce the multi-variate backfill problem using COVID-19 as the motivating example. We construct a detailed dataset composed of relevant signals over the past year of the pandemic. We then systematically characterize several patterns in backfill dynamics and leverage our observations for formulating a novel problem and neural framework Back2Future that aims to refines a given model's predictions in real-time. Our extensive experiments demonstrate that our method refines the performance of top models for COVID-19 forecasting, in contrast to non-trivial baselines, yielding 18% improvement over baselines, enabling us obtain a new SOTA performance. In addition, we show that our model improves model evaluation too; hence policy-makers can better understand the true accuracy of forecasting models in real-time.
A Neural Tangent Kernel Perspective of Infinite Tree Ensembles
Venue: Conference ICLR 2022
Year: 2022

In practical situations, the tree ensemble is one of the most popular models along with neural networks. A soft tree is a variant of a decision tree. Instead of using a greedy method for searching splitting rules, the soft tree is trained using a gradient method in which the entire splitting operation is formulated in a differentiable form. Although ensembles of such soft trees have been used increasingly in recent years, little theoretical work has been done to understand their behavior. By considering an ensemble of infinite soft trees, this paper introduces and studies the Tree Neural Tangent Kernel (TNTK), which provides new insights into the behavior of the infinite ensemble of soft trees. Using the TNTK, we theoretically identify several non-trivial properties, such as global convergence of the training, the equivalence of the oblivious tree structure, and the degeneracy of the TNTK induced by the deepening of the trees.
MAML is a Noisy Contrastive Learner in Classification
Venue: Conference ICLR 2022
Year: 2022

Model-agnostic meta-learning (MAML) is one of the most popular and widely adopted meta-learning algorithms, achieving remarkable success in various learning problems. Yet, with the unique design of nested inner-loop and outer-loop updates, which govern the task-specific and meta-model-centric learning, respectively, the underlying learning objective of MAML remains implicit and thus impedes a more straightforward understanding of it. In this paper, we provide a new perspective of the working mechanism of MAML. We discover that MAML is analogous to a meta-learner using a supervised contrastive objective. The query features are pulled towards the support features of the same class and against those of different classes. Such contrastiveness is experimentally verified via an analysis based on the cosine similarity. Moreover, we reveal that vanilla MAML has an undesirable interference term originating from the random initialization and the cross-task interaction. We thus propose a simple but effective technique, zeroing trick, to alleviate the interference. Extensive experiments are conducted on both mini-ImageNet and Omniglot datasets to demonstrate the consistent improvement brought by our proposed method, validating its effectiveness.
Conditional Object-Centric Learning from Video
Venue: Conference ICLR 2022
Year: 2022

Object-centric representations are a promising path toward more systematic generalization by providing flexible abstractions upon which compositional world models can be built. Recent work on simple 2D and 3D datasets has shown that models with object-centric inductive biases can learn to segment and represent meaningful objects from the statistical structure of the data alone without the need for any supervision. However, such fully-unsupervised methods still fail to scale to diverse realistic data, despite the use of increasingly complex inductive biases such as priors for the size of objects or the 3D geometry of the scene. In this paper, we instead take a weakly-supervised approach and focus on how 1) using the temporal dynamics of video data in the form of optical flow and 2) conditioning the model on simple object location cues can be used to enable segmenting and tracking objects in significantly more realistic synthetic data. We introduce a sequential extension to Slot Attention which we train to predict optical flow for realistic looking synthetic scenes and show that conditioning the initial state of this model on a small set of hints, such as center of mass of objects in the first frame, is sufficient to significantly improve instance segmentation. These benefits generalize beyond the training distribution to novel objects, novel backgrounds, and to longer video sequences. We also find that such initial-state-conditioning can be used during inference as a flexible interface to query the model for specific objects or parts of objects, which could pave the way for a range of weakly-supervised approaches and allow more effective interaction with trained models.
Mapping conditional distributions for domain adaptation under generalized target shift
Venue: Conference ICLR 2022
Year: 2022

We consider the problem of unsupervised domain adaptation (UDA) between a source and a target domain under conditional and label shift a.k.a Generalized Target Shift (GeTarS). Unlike simpler UDA settings, few works have addressed this challenging problem. Recent approaches learn domain-invariant representations, yet they have practical limitations and rely on strong assumptions that may not hold in practice. In this paper, we explore a novel and general approach to align pretrained representations, which circumvents existing drawbacks. Instead of constraining representation invariance, it learns an optimal transport map, implemented as a NN, which maps source representations onto target ones. Our approach is flexible and scalable, it preserves the problem's structure and it has strong theoretical guarantees under mild assumptions. In particular, our solution is unique, matches conditional distributions across domains, recovers target proportions and explicitly controls the target generalization risk. Through an exhaustive comparison on several datasets, we challenge the state-of-the-art in GeTarS.
Variational autoencoders in the presence of low-dimensional data: landscape and implicit bias
Venue: Conference ICLR 2022
Year: 2022

Variational Autoencoders are one of the most commonly used generative models, particularly for image data. A prominent difficulty in training VAEs is data that is supported on a lower-dimensional manifold. Recent work by Dai and Wipf (2020) proposes a two-stage training algorithm for VAEs, based on a conjecture that in standard VAE training the generator will converge to a solution with 0 variance which is correctly supported on the ground truth manifold. They gave partial support for that conjecture by showing that some optima of the VAE loss do satisfy this property, but did not analyze the training dynamics. In this paper, we show that for linear encoders/decoders, the conjecture is true-that is the VAE training does recover a generator with support equal to the ground truth manifold-and does so due to an implicit bias of gradient descent rather than merely the VAE loss itself. In the nonlinear case, we show that VAE training frequently learns a higher-dimensional manifold which is a superset of the ground truth manifold.
Iterated Reasoning with Mutual Information in Cooperative and Byzantine Decentralized Teaming
Venue: Conference ICLR 2022
Year: 2022

Information sharing is key in building team cognition and enables coordination and cooperation. High-performing human teams also benefit from acting strategically with hierarchical levels of iterated communication and rationalizability, meaning a human agent can reason about the actions of their teammates in their decision-making. Yet, the majority of prior work in Multi-Agent Reinforcement Learning (MARL) does not support iterated rationalizability and only encourage inter-agent communication, resulting in a suboptimal equilibrium cooperation strategy. In this work, we show that reformulating an agent's policy to be conditional on the policies of its neighboring teammates inherently maximizes Mutual Information (MI) lower-bound when optimizing under Policy Gradient (PG). Building on the idea of decision-making under bounded rationality and cognitive hierarchy theory, we show that our modified PG approach not only maximizes local agent rewards but also implicitly reasons about MI between agents without the need for any explicit ad-hoc regularization terms. Our approach, InfoPG, outperforms baselines in learning emergent collaborative behaviors and sets the state-of-the-art in decentralized cooperative MARL tasks. Our experiments validate the utility of InfoPG by achieving higher sample efficiency and significantly larger cumulative reward in several complex cooperative multi-agent domains.
Signing the Supermask: Keep, Hide, Invert
Venue: Conference ICLR 2022
Year: 2022

The exponential growth in numbers of parameters of neural networks over the past years has been accompanied by an increase in performance across several fields. However, due to their sheer size, the networks not only became difficult to interpret but also problematic to train and use in real-world applications, since hardware requirements increased accordingly. Tackling both issues, we present a novel approach that either drops a neural network's initial weights or inverts their respective sign. Put simply, a network is trained by weight selection and inversion without changing their absolute values. Our contribution extends previous work on masking by additionally sign-inverting the initial weights and follows the findings of the Lottery Ticket Hypothesis. Through this extension and adaptations of initialization methods, we achieve a pruning rate of up to 99%, while still matching or exceeding the performance of various baseline and previous models. Our approach has two main advantages. First, and most notable, signed Supermask models drastically simplify a model's structure, while still performing well on given tasks. Second, by reducing the neural network to its very foundation, we gain insights into which weights matter for performance. The code is available on GitHub.
Universal Approximation Under Constraints is Possible with Transformers
Venue: Conference ICLR 2022
Year: 2022

Many practical problems need the output of a machine learning model to satisfy a set of constraints, $K$. Nevertheless, there is no known guarantee that classical neural network architectures can exactly encode constraints while simultaneously achieving universality. We provide a quantitative constrained universal approximation theorem which guarantees that for any non-convex compact set $K$ and any continuous function $f:\mathbb{R}^n\rightarrow K$, there is a probabilistic transformer $\hat{F}$ whose randomized outputs all lie in $K$ and whose expected output uniformly approximates $f$. Our second main result is a "deep neural version" of Berge's Maximum Theorem (1963). The result guarantees that given an objective function $L$, a constraint set $K$, and a family of soft constraint sets, there is a probabilistic transformer $\hat{F}$ that approximately minimizes $L$ and whose outputs belong to $K$; moreover, $\hat{F}$ approximately satisfies the soft constraints. Our results imply the first universal approximation theorem for classical transformers with exact convex constraint satisfaction. They also yield that a chart-free universal approximation theorem for Riemannian manifold-valued functions subject to suitable geodesically convex constraints.