OpenRaiser/Intern-Atlas huggingface dataset:
Rot-Pro: Modeling Transitivity by Projection in Knowledge Graph Embedding
Venue: Conference NeurIPS 2021
Year: 2021

Knowledge graph embedding models learn the representations of entities and relations in the knowledge graphs for predicting missing links (relations) between entities. Their effectiveness are deeply affected by the ability of modeling and inferring different relation patterns such as symmetry, asymmetry, inversion, composition and transitivity. Although existing models are already able to model many of these relations patterns, transitivity, a very common relation pattern, is still not been fully supported. In this paper, we first theoretically show that the transitive relations can be modeled with projections. We then propose the Rot-Pro model which combines the projection and relational rotation together. We prove that Rot-Pro can infer all the above relation patterns. Experimental results show that the proposed Rot-Pro model effectively learns the transitivity pattern and achieves the state-of-the-art results on the link prediction task in the datasets containing transitive relations.
Neural Human Performer: Learning Generalizable Radiance Fields for Human Performance Rendering
Venue: Conference NeurIPS 2021
Year: 2021

In this paper, we aim at synthesizing a free-viewpoint video of an arbitrary human performance using sparse multi-view cameras. Recently, several works have addressed this problem by learning person-specific neural radiance fields (NeRF) to capture the appearance of a particular human. In parallel, some work proposed to use pixel-aligned features to generalize radiance fields to arbitrary new scenes and objects. Adopting such generalization approaches to humans, however, is highly challenging due to the heavy occlusions and dynamic articulations of body parts. To tackle this, we propose Neural Human Performer, a novel approach that learns generalizable neural radiance fields based on a parametric human body model for robust performance capture. Specifically, we first introduce a temporal transformer that aggregates tracked visual features based on the skeletal body motion over time. Moreover, a multi-view transformer is proposed to perform cross-attention between the temporally-fused features and the pixel-aligned features at each time step to integrate observations on the fly from multiple views. Experiments on the ZJU-MoCap and AIST datasets show that our method significantly outperforms recent generalizable NeRF methods on unseen identities and poses. The video results and code are available at https://youngjoongunc.github.io/nhp.
CSDI: Conditional Score-based Diffusion Models for Probabilistic Time Series Imputation
Venue: Conference NeurIPS 2021
Year: 2021

The imputation of missing values in time series has many applications in healthcare and finance. While autoregressive models are natural candidates for time series imputation, score-based diffusion models have recently outperformed existing counterparts including autoregressive models in many tasks such as image generation and audio synthesis, and would be promising for time series imputation. In this paper, we propose Conditional Score-based Diffusion models for Imputation (CSDI), a novel time series imputation method that utilizes score-based diffusion models conditioned on observed data. Unlike existing score-based approaches, the conditional diffusion model is explicitly trained for imputation and can exploit correlations between observed values. On healthcare and environmental data, CSDI improves by 40-65% over existing probabilistic imputation methods on popular performance metrics. In addition, deterministic imputation by CSDI reduces the error by 5-20% compared to the state-of-the-art deterministic imputation methods. Furthermore, CSDI can also be applied to time series interpolation and probabilistic forecasting, and is competitive with existing baselines. The code is available at https://github.com/ermongroup/CSDI.
Causal Effect Inference for Structured Treatments
Venue: Conference NeurIPS 2021
Year: 2021

We address the estimation of conditional average treatment effects (CATEs) for structured treatments (e.g., graphs, images, texts). Given a weak condition on the effect, we propose the generalized Robinson decomposition, which (i) isolates the causal estimand (reducing regularization bias), (ii) allows one to plug in arbitrary models for learning, and (iii) possesses a quasi-oracle convergence guarantee under mild assumptions. In experiments with small-world and molecular graphs we demonstrate that our approach outperforms prior work in CATE estimation.
Topological Attention for Time Series Forecasting
Venue: Conference NeurIPS 2021
Year: 2021

The problem of (point) forecasting $ \textit{univariate} $ time series is considered. Most approaches, ranging from traditional statistical methods to recent learning-based techniques with neural networks, directly operate on raw time series observations. As an extension, we study whether $\textit{local topological properties}$, as captured via persistent homology, can serve as a reliable signal that provides complementary information for learning to forecast. To this end, we propose $\textit{topological attention}$, which allows attending to local topological features within a time horizon of historical data. Our approach easily integrates into existing end-to-end trainable forecasting models, such as $\texttt{N-BEATS}$, and in combination with the latter exhibits state-of-the-art performance on the large-scale M4 benchmark dataset of 100,000 diverse time series from different domains. Ablation experiments, as well as a comparison to a broad range of forecasting methods in a setting where only a single time series is available for training, corroborate the beneficial nature of including local topological information through an attention mechanism.
IA-RED$^2$: Interpretability-Aware Redundancy Reduction for Vision Transformers
Venue: Conference NeurIPS 2021
Year: 2021

The self-attention-based model, transformer, is recently becoming the leading backbone in the field of computer vision. In spite of the impressive success made by transformers in a variety of vision tasks, it still suffers from heavy computation and intensive memory costs. To address this limitation, this paper presents an Interpretability-Aware REDundancy REDuction framework (IA-RED$^2$). We start by observing a large amount of redundant computation, mainly spent on uncorrelated input patches, and then introduce an interpretable module to dynamically and gracefully drop these redundant patches. This novel framework is then extended to a hierarchical structure, where uncorrelated tokens at different stages are gradually removed, resulting in a considerable shrinkage of computational cost. We include extensive experiments on both image and video tasks, where our method could deliver up to 1.4x speed-up for state-of-the-art models like DeiT and TimeSformer, by only sacrificing less than 0.7% accuracy. More importantly, contrary to other acceleration approaches, our method is inherently interpretable with substantial visual evidence, making vision transformer closer to a more human-understandable architecture while being lighter. We demonstrate that the interpretability that naturally emerged in our framework can outperform the raw attention learned by the original visual transformer, as well as those generated by off-the-shelf interpretation methods, with both qualitative and quantitative results. Project Page: http://people.csail.mit.edu/bpan/ia-red/.
Choose a Transformer: Fourier or Galerkin
Venue: Conference NeurIPS 2021
Year: 2021

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts.
Differentially Private Multi-Armed Bandits in the Shuffle Model
Venue: Conference NeurIPS 2021
Year: 2021

We give an $(\varepsilon,δ)$-differentially private algorithm for the multi-armed bandit (MAB) problem in the shuffle model with a distribution-dependent regret of $O\left(\left(\sum_{a\in [k]:Δ_a>0}\frac{\log T}{Δ_a}\right)+\frac{k\sqrt{\log\frac{1}δ}\log T}{\varepsilon}\right)$, and a distribution-independent regret of $O\left(\sqrt{kT\log T}+\frac{k\sqrt{\log\frac{1}δ}\log T}{\varepsilon}\right)$, where $T$ is the number of rounds, $Δ_a$ is the suboptimality gap of the arm $a$, and $k$ is the total number of arms. Our upper bound almost matches the regret of the best known algorithms for the centralized model, and significantly outperforms the best known algorithm in the local model.
Dual Adaptivity: A Universal Algorithm for Minimizing the Adaptive Regret of Convex Functions
Venue: Conference NeurIPS 2021
Year: 2021

To deal with changing environments, a new performance measure -- adaptive regret, defined as the maximum static regret over any interval, was proposed in online learning. Under the setting of online convex optimization, several algorithms have been successfully developed to minimize the adaptive regret. However, existing algorithms lack universality in the sense that they can only handle one type of convex functions and need apriori knowledge of parameters. By contrast, there exist universal algorithms, such as MetaGrad, that attain optimal static regret for multiple types of convex functions simultaneously. Along this line of research, this paper presents the first universal algorithm for minimizing the adaptive regret of convex functions. Specifically, we borrow the idea of maintaining multiple learning rates in MetaGrad to handle the uncertainty of functions, and utilize the technique of sleeping experts to capture changing environments. In this way, our algorithm automatically adapts to the property of functions (convex, exponentially concave, or strongly convex), as well as the nature of environments (stationary or changing). As a by product, it also allows the type of functions to switch between rounds.
Canonical Capsules: Self-Supervised Capsules in Canonical Pose
Venue: Conference NeurIPS 2021
Year: 2021

We propose a self-supervised capsule architecture for 3D point clouds. We compute capsule decompositions of objects through permutation-equivariant attention, and self-supervise the process by training with pairs of randomly rotated objects. Our key idea is to aggregate the attention masks into semantic keypoints, and use these to supervise a decomposition that satisfies the capsule invariance/equivariance properties. This not only enables the training of a semantically consistent decomposition, but also allows us to learn a canonicalization operation that enables object-centric reasoning. To train our neural network we require neither classification labels nor manually-aligned training datasets. Yet, by learning an object-centric representation in a self-supervised manner, our method outperforms the state-of-the-art on 3D point cloud reconstruction, canonicalization, and unsupervised classification.
Characterizing Generalization under Out-Of-Distribution Shifts in Deep Metric Learning
Venue: Conference NeurIPS 2021
Year: 2021

Deep Metric Learning (DML) aims to find representations suitable for zero-shot transfer to a priori unknown test distributions. However, common evaluation protocols only test a single, fixed data split in which train and test classes are assigned randomly. More realistic evaluations should consider a broad spectrum of distribution shifts with potentially varying degree and difficulty. In this work, we systematically construct train-test splits of increasing difficulty and present the ooDML benchmark to characterize generalization under out-of-distribution shifts in DML. ooDML is designed to probe the generalization performance on much more challenging, diverse train-to-test distribution shifts. Based on our new benchmark, we conduct a thorough empirical analysis of state-of-the-art DML methods. We find that while generalization tends to consistently degrade with difficulty, some methods are better at retaining performance as the distribution shift increases. Finally, we propose few-shot DML as an efficient way to consistently improve generalization in response to unknown test shifts presented in ooDML. Code available here: https://github.com/CompVis/Characterizing_Generalization_in_DML.
Collaborative Learning in the Jungle (Decentralized, Byzantine, Heterogeneous, Asynchronous and Nonconvex Learning)
Venue: Conference NeurIPS 2021
Year: 2021

We study Byzantine collaborative learning, where $n$ nodes seek to collectively learn from each others' local data. The data distribution may vary from one node to another. No node is trusted, and $f < n$ nodes can behave arbitrarily. We prove that collaborative learning is equivalent to a new form of agreement, which we call averaging agreement. In this problem, nodes start each with an initial vector and seek to approximately agree on a common vector, which is close to the average of honest nodes' initial vectors. We present two asynchronous solutions to averaging agreement, each we prove optimal according to some dimension. The first, based on the minimum-diameter averaging, requires $ n \geq 6f+1$, but achieves asymptotically the best-possible averaging constant up to a multiplicative constant. The second, based on reliable broadcast and coordinate-wise trimmed mean, achieves optimal Byzantine resilience, i.e., $n \geq 3f+1$. Each of these algorithms induces an optimal Byzantine collaborative learning protocol. In particular, our equivalence yields new impossibility theorems on what any collaborative learning algorithm can achieve in adversarial and heterogeneous environments.
Counterfactual Maximum Likelihood Estimation for Training Deep Networks
Venue: Conference NeurIPS 2021
Year: 2021

Although deep learning models have driven state-of-the-art performance on a wide array of tasks, they are prone to spurious correlations that should not be learned as predictive clues. To mitigate this problem, we propose a causality-based training framework to reduce the spurious correlations caused by observed confounders. We give theoretical analysis on the underlying general Structural Causal Model (SCM) and propose to perform Maximum Likelihood Estimation (MLE) on the interventional distribution instead of the observational distribution, namely Counterfactual Maximum Likelihood Estimation (CMLE). As the interventional distribution, in general, is hidden from the observational data, we then derive two different upper bounds of the expected negative log-likelihood and propose two general algorithms, Implicit CMLE and Explicit CMLE, for causal predictions of deep learning models using observational data. We conduct experiments on both simulated data and two real-world tasks: Natural Language Inference (NLI) and Image Captioning. The results show that CMLE methods outperform the regular MLE method in terms of out-of-domain generalization performance and reducing spurious correlations, while maintaining comparable performance on the regular evaluations.
Robust Optimization for Multilingual Translation with Imbalanced Data
Venue: Conference NeurIPS 2021
Year: 2021

Multilingual models are parameter-efficient and especially effective in improving low-resource languages by leveraging crosslingual transfer. Despite recent advance in massive multilingual translation with ever-growing model and data, how to effectively train multilingual models has not been well understood. In this paper, we show that a common situation in multilingual training, data imbalance among languages, poses optimization tension between high resource and low resource languages where the found multilingual solution is often sub-optimal for low resources. We show that common training method which upsamples low resources can not robustly optimize population loss with risks of either underfitting high resource languages or overfitting low resource ones. Drawing on recent findings on the geometry of loss landscape and its effect on generalization, we propose a principled optimization algorithm, Curvature Aware Task Scaling (CATS), which adaptively rescales gradients from different tasks with a meta objective of guiding multilingual training to low-curvature neighborhoods with uniformly low loss for all languages. We ran experiments on common benchmarks (TED, WMT and OPUS-100) with varying degrees of data imbalance. CATS effectively improved multilingual optimization and as a result demonstrated consistent gains on low resources ($+0.8$ to $+2.2$ BLEU) without hurting high resources. In addition, CATS is robust to overparameterization and large batch size training, making it a promising training method for massive multilingual models that truly improve low resource languages.
Learning Debiased Representation via Disentangled Feature Augmentation
Venue: Conference NeurIPS 2021
Year: 2021

Image classification models tend to make decisions based on peripheral attributes of data items that have strong correlation with a target variable (i.e., dataset bias). These biased models suffer from the poor generalization capability when evaluated on unbiased datasets. Existing approaches for debiasing often identify and emphasize those samples with no such correlation (i.e., bias-conflicting) without defining the bias type in advance. However, such bias-conflicting samples are significantly scarce in biased datasets, limiting the debiasing capability of these approaches. This paper first presents an empirical analysis revealing that training with "diverse" bias-conflicting samples beyond a given training set is crucial for debiasing as well as the generalization capability. Based on this observation, we propose a novel feature-level data augmentation technique in order to synthesize diverse bias-conflicting samples. To this end, our method learns the disentangled representation of (1) the intrinsic attributes (i.e., those inherently defining a certain class) and (2) bias attributes (i.e., peripheral attributes causing the bias), from a large number of bias-aligned samples, the bias attributes of which have strong correlation with the target variable. Using the disentangled representation, we synthesize bias-conflicting samples that contain the diverse intrinsic attributes of bias-aligned samples by swapping their latent features. By utilizing these diversified bias-conflicting features during the training, our approach achieves superior classification accuracy and debiasing results against the existing baselines on synthetic and real-world datasets.
Adversarial Training Helps Transfer Learning via Better Representations
Venue: Conference NeurIPS 2021
Year: 2021

Transfer learning aims to leverage models pre-trained on source data to efficiently adapt to target setting, where only limited data are available for model fine-tuning. Recent works empirically demonstrate that adversarial training in the source data can improve the ability of models to transfer to new domains. However, why this happens is not known. In this paper, we provide a theoretical model to rigorously analyze how adversarial training helps transfer learning. We show that adversarial training in the source data generates provably better representations, so fine-tuning on top of this representation leads to a more accurate predictor of the target data. We further demonstrate both theoretically and empirically that semi-supervised learning in the source data can also improve transfer learning by similarly improving the representation. Moreover, performing adversarial training on top of semi-supervised learning can further improve transferability, suggesting that the two approaches have complementary benefits on representations. We support our theories with experiments on popular data sets and deep learning architectures.
Improving Coherence and Consistency in Neural Sequence Models with Dual-System, Neuro-Symbolic Reasoning
Venue: Conference NeurIPS 2021
Year: 2021

Human reasoning can often be understood as an interplay between two systems: the intuitive and associative ("System 1") and the deliberative and logical ("System 2"). Neural sequence models -- which have been increasingly successful at performing complex, structured tasks -- exhibit the advantages and failure modes of System 1: they are fast and learn patterns from data, but are often inconsistent and incoherent. In this work, we seek a lightweight, training-free means of improving existing System 1-like sequence models by adding System 2-inspired logical reasoning. We explore several variations on this theme in which candidate generations from a neural sequence model are examined for logical consistency by a symbolic reasoning module, which can either accept or reject the generations. Our approach uses neural inference to mediate between the neural System 1 and the logical System 2. Results in robust story generation and grounded instruction-following show that this approach can increase the coherence and accuracy of neurally-based generations.
On Margin-Based Cluster Recovery with Oracle Queries
Venue: Conference NeurIPS 2021
Year: 2021

We study an active cluster recovery problem where, given a set of $n$ points and an oracle answering queries like "are these two points in the same cluster?", the task is to recover exactly all clusters using as few queries as possible. We begin by introducing a simple but general notion of margin between clusters that captures, as special cases, the margins used in previous work, the classic SVM margin, and standard notions of stability for center-based clusterings. Then, under our margin assumptions we design algorithms that, in a variety of settings, recover all clusters exactly using only $O(\log n)$ queries. For the Euclidean case, $\mathbb{R}^m$, we give an algorithm that recovers arbitrary convex clusters, in polynomial time, and with a number of queries that is lower than the best existing algorithm by $Θ(m^m)$ factors. For general pseudometric spaces, where clusters might not be convex or might not have any notion of shape, we give an algorithm that achieves the $O(\log n)$ query bound, and is provably near-optimal as a function of the packing number of the space. Finally, for clusterings realized by binary concept classes, we give a combinatorial characterization of recoverability with $O(\log n)$ queries, and we show that, for many concept classes in Euclidean spaces, this characterization is equivalent to our margin condition. Our results show a deep connection between cluster margins and active cluster recoverability.