OpenRaiser/Intern-Atlas huggingface dataset:
Coresets for Clustering with Missing Values
Venue: Conference NeurIPS 2021
Year: 2021

We provide the first coreset for clustering points in $\mathbb{R}^d$ that have multiple missing values (coordinates). Previous coreset constructions only allow one missing coordinate. The challenge in this setting is that objective functions, like $k$-Means, are evaluated only on the set of available (non-missing) coordinates, which varies across points. Recall that an $ε$-coreset of a large dataset is a small proxy, usually a reweighted subset of points, that $(1+ε)$-approximates the clustering objective for every possible center set. Our coresets for $k$-Means and $k$-Median clustering have size $(jk)^{O(\min(j,k))} (ε^{-1} d \log n)^2$, where $n$ is the number of data points, $d$ is the dimension and $j$ is the maximum number of missing coordinates for each data point. We further design an algorithm to construct these coresets in near-linear time, and consequently improve a recent quadratic-time PTAS for $k$-Means with missing values [Eiben et al., SODA 2021] to near-linear time. We validate our coreset construction, which is based on importance sampling and is easy to implement, on various real data sets. Our coreset exhibits a flexible tradeoff between coreset size and accuracy, and generally outperforms the uniform-sampling baseline. Furthermore, it significantly speeds up a Lloyd's-style heuristic for $k$-Means with missing values.
Dynamic Neural Representational Decoders for High-Resolution Semantic Segmentation
Venue: Conference NeurIPS 2021
Year: 2021

Semantic segmentation requires per-pixel prediction for a given image. Typically, the output resolution of a segmentation network is severely reduced due to the downsampling operations in the CNN backbone. Most previous methods employ upsampling decoders to recover the spatial resolution. Various decoders were designed in the literature. Here, we propose a novel decoder, termed dynamic neural representational decoder (NRD), which is simple yet significantly more efficient. As each location on the encoder's output corresponds to a local patch of the semantic labels, in this work, we represent these local patches of labels with compact neural networks. This neural representation enables our decoder to leverage the smoothness prior in the semantic label space, and thus makes our decoder more efficient. Furthermore, these neural representations are dynamically generated and conditioned on the outputs of the encoder networks. The desired semantic labels can be efficiently decoded from the neural representations, resulting in high-resolution semantic segmentation predictions. We empirically show that our proposed decoder can outperform the decoder in DeeplabV3+ with only 30% computational complexity, and achieve competitive performance with the methods using dilated encoders with only 15% computation. Experiments on the Cityscapes, ADE20K, and PASCAL Context datasets demonstrate the effectiveness and efficiency of our proposed method.
PTR: A Benchmark for Part-based Conceptual, Relational, and Physical Reasoning
Venue: Conference NeurIPS 2021
Year: 2021

A critical aspect of human visual perception is the ability to parse visual scenes into individual objects and further into object parts, forming part-whole hierarchies. Such composite structures could induce a rich set of semantic concepts and relations, thus playing an important role in the interpretation and organization of visual signals as well as for the generalization of visual perception and reasoning. However, existing visual reasoning benchmarks mostly focus on objects rather than parts. Visual reasoning based on the full part-whole hierarchy is much more challenging than object-centric reasoning due to finer-grained concepts, richer geometry relations, and more complex physics. Therefore, to better serve for part-based conceptual, relational and physical reasoning, we introduce a new large-scale diagnostic visual reasoning dataset named PTR. PTR contains around 70k RGBD synthetic images with ground truth object and part level annotations regarding semantic instance segmentation, color attributes, spatial and geometric relationships, and certain physical properties such as stability. These images are paired with 700k machine-generated questions covering various types of reasoning types, making them a good testbed for visual reasoning models. We examine several state-of-the-art visual reasoning models on this dataset and observe that they still make many surprising mistakes in situations where humans can easily infer the correct answer. We believe this dataset will open up new opportunities for part-based reasoning.
Property-Aware Relation Networks for Few-Shot Molecular Property Prediction
Venue: Conference NeurIPS 2021
Year: 2021

Molecular property prediction plays a fundamental role in drug discovery to identify candidate molecules with target properties. However, molecular property prediction is essentially a few-shot problem which makes it hard to use regular machine learning models. In this paper, we propose Property-Aware Relation networks (PAR) to handle this problem. In comparison to existing works, we leverage the fact that both relevant substructures and relationships among molecules change across different molecular properties. We first introduce a property-aware embedding function to transform the generic molecular embeddings to substructure-aware space relevant to the target property. Further, we design an adaptive relation graph learning module to jointly estimate molecular relation graph and refine molecular embeddings w.r.t. the target property, such that the limited labels can be effectively propagated among similar molecules. We adopt a meta-learning strategy where the parameters are selectively updated within tasks in order to model generic and property-aware knowledge separately. Extensive experiments on benchmark molecular property prediction datasets show that PAR consistently outperforms existing methods and can obtain property-aware molecular embeddings and model molecular relation graph properly.
Can Less be More? When Increasing-to-Balancing Label Noise Rates Considered Beneficial
Venue: Conference NeurIPS 2021
Year: 2021

In this paper, we answer the question of when inserting label noise (less informative labels) can instead return us more accurate and fair models. We are primarily inspired by three observations: 1) In contrast to reducing label noise rates, increasing the noise rates is easy to implement; 2) Increasing a certain class of instances' label noise to balance the noise rates (increasing-to-balancing) results in an easier learning problem; 3) Increasing-to-balancing improves fairness guarantees against label bias. In this paper, we first quantify the trade-offs introduced by increasing a certain group of instances' label noise rate w.r.t. the loss of label informativeness and the lowered learning difficulties. We analytically demonstrate when such an increase is beneficial, in terms of either improved generalization power or the fairness guarantees. Then we present a method to insert label noise properly for the task of learning with noisy labels, either without or with a fairness constraint. The primary technical challenge we face is due to the fact that we would not know which data instances are suffering from higher noise, and we would not have the ground truth labels to verify any possible hypothesis. We propose a detection method that informs us which group of labels might suffer from higher noise without using ground truth labels. We formally establish the effectiveness of the proposed solution and demonstrate it with extensive experiments.
Projected GANs Converge Faster
Venue: Conference NeurIPS 2021
Year: 2021

Generative Adversarial Networks (GANs) produce high-quality images but are challenging to train. They need careful regularization, vast amounts of compute, and expensive hyper-parameter sweeps. We make significant headway on these issues by projecting generated and real samples into a fixed, pretrained feature space. Motivated by the finding that the discriminator cannot fully exploit features from deeper layers of the pretrained model, we propose a more effective strategy that mixes features across channels and resolutions. Our Projected GAN improves image quality, sample efficiency, and convergence speed. It is further compatible with resolutions of up to one Megapixel and advances the state-of-the-art Fréchet Inception Distance (FID) on twenty-two benchmark datasets. Importantly, Projected GANs match the previously lowest FIDs up to 40 times faster, cutting the wall-clock time from 5 days to less than 3 hours given the same computational resources.
PreferenceNet: Encoding Human Preferences in Auction Design with Deep Learning
Venue: Conference NeurIPS 2021
Year: 2021

The design of optimal auctions is a problem of interest in economics, game theory and computer science. Despite decades of effort, strategyproof, revenue-maximizing auction designs are still not known outside of restricted settings. However, recent methods using deep learning have shown some success in approximating optimal auctions, recovering several known solutions and outperforming strong baselines when optimal auctions are not known. In addition to maximizing revenue, auction mechanisms may also seek to encourage socially desirable constraints such as allocation fairness or diversity. However, these philosophical notions neither have standardization nor do they have widely accepted formal definitions. In this paper, we propose PreferenceNet, an extension of existing neural-network-based auction mechanisms to encode constraints using (potentially human-provided) exemplars of desirable allocations. In addition, we introduce a new metric to evaluate an auction allocations' adherence to such socially desirable constraints and demonstrate that our proposed method is competitive with current state-of-the-art neural-network based auction designs. We validate our approach through human subject research and show that we are able to effectively capture real human preferences. Our code is available at https://github.com/neeharperi/PreferenceNet
Large-Scale Learning with Fourier Features and Tensor Decompositions
Venue: Conference NeurIPS 2021
Year: 2021

Random Fourier features provide a way to tackle large-scale machine learning problems with kernel methods. Their slow Monte Carlo convergence rate has motivated the research of deterministic Fourier features whose approximation error can decrease exponentially in the number of basis functions. However, due to their tensor product extension to multiple dimensions, these methods suffer heavily from the curse of dimensionality, limiting their applicability to one, two or three-dimensional scenarios. In our approach we overcome said curse of dimensionality by exploiting the tensor product structure of deterministic Fourier features, which enables us to represent the model parameters as a low-rank tensor decomposition. We derive a monotonically converging block coordinate descent algorithm with linear complexity in both the sample size and the dimensionality of the inputs for a regularized squared loss function, allowing to learn a parsimonious model in decomposed form using deterministic Fourier features. We demonstrate by means of numerical experiments how our low-rank tensor approach obtains the same performance of the corresponding nonparametric model, consistently outperforming random Fourier features.
Hash Layers For Large Sparse Models
Venue: Conference NeurIPS 2021
Year: 2021

We investigate the training of sparse layers that use different parameters for different inputs based on hashing in large Transformer models. Specifically, we modify the feedforward layer to hash to different sets of weights depending on the current token, over all tokens in the sequence. We show that this procedure either outperforms or is competitive with learning-to-route mixture-of-expert methods such as Switch Transformers and BASE Layers, while requiring no routing parameters or extra terms in the objective function such as a load balancing loss, and no sophisticated assignment algorithm. We study the performance of different hashing techniques, hash sizes and input features, and show that balanced and random hashes focused on the most local features work best, compared to either learning clusters or using longer-range context. We show our approach works well both on large language modeling and dialogue tasks, and on downstream fine-tuning tasks.
Sliced Mutual Information: A Scalable Measure of Statistical Dependence
Venue: Conference NeurIPS 2021
Year: 2021

Mutual information (MI) is a fundamental measure of statistical dependence, with a myriad of applications to information theory, statistics, and machine learning. While it possesses many desirable structural properties, the estimation of high-dimensional MI from samples suffers from the curse of dimensionality. Motivated by statistical scalability to high dimensions, this paper proposes sliced MI (SMI) as a surrogate measure of dependence. SMI is defined as an average of MI terms between one-dimensional random projections. We show that it preserves many of the structural properties of classic MI, while gaining scalable computation and efficient estimation from samples. Furthermore, and in contrast to classic MI, SMI can grow as a result of deterministic transformations. This enables leveraging SMI for feature extraction by optimizing it over processing functions of raw data to identify useful representations thereof. Our theory is supported by numerical studies of independence testing and feature extraction, which demonstrate the potential gains SMI offers over classic MI for high-dimensional inference.
Deep Bandits Show-Off: Simple and Efficient Exploration with Deep Networks
Venue: Conference NeurIPS 2021
Year: 2021

Designing efficient exploration is central to Reinforcement Learning due to the fundamental problem posed by the exploration-exploitation dilemma. Bayesian exploration strategies like Thompson Sampling resolve this trade-off in a principled way by modeling and updating the distribution of the parameters of the action-value function, the outcome model of the environment. However, this technique becomes infeasible for complex environments due to the computational intractability of maintaining probability distributions over parameters of outcome models of corresponding complexity. Moreover, the approximation techniques introduced to mitigate this issue typically result in poor exploration-exploitation trade-offs, as observed in the case of deep neural network models with approximate posterior methods that have been shown to underperform in the deep bandit scenario. In this paper we introduce Sample Average Uncertainty (SAU), a simple and efficient uncertainty measure for contextual bandits. While Bayesian approaches like Thompson Sampling estimate outcomes uncertainty indirectly by first quantifying the variability over the parameters of the outcome model, SAU is a frequentist approach that directly estimates the uncertainty of the outcomes based on the value predictions. Importantly, we show theoretically that the uncertainty measure estimated by SAU asymptotically matches the uncertainty provided by Thompson Sampling, as well as its regret bounds. Because of its simplicity SAU can be seamlessly applied to deep contextual bandits as a very scalable drop-in replacement for epsilon-greedy exploration. We confirm empirically our theory by showing that SAU-based exploration outperforms current state-of-the-art deep Bayesian bandit methods on several real-world datasets at modest computation cost. Code is available at \url{https://github.com/ibm/sau-explore}.
Regret Minimization Experience Replay in Off-Policy Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

In reinforcement learning, experience replay stores past samples for further reuse. Prioritized sampling is a promising technique to better utilize these samples. Previous criteria of prioritization include TD error, recentness and corrective feedback, which are mostly heuristically designed. In this work, we start from the regret minimization objective, and obtain an optimal prioritization strategy for Bellman update that can directly maximize the return of the policy. The theory suggests that data with higher hindsight TD error, better on-policiness and more accurate Q value should be assigned with higher weights during sampling. Thus most previous criteria only consider this strategy partially. We not only provide theoretical justifications for previous criteria, but also propose two new methods to compute the prioritization weight, namely ReMERN and ReMERT. ReMERN learns an error network, while ReMERT exploits the temporal ordering of states. Both methods outperform previous prioritized sampling algorithms in challenging RL benchmarks, including MuJoCo, Atari and Meta-World.
An Information-theoretic Approach to Distribution Shifts
Venue: Conference NeurIPS 2021
Year: 2021

Safely deploying machine learning models to the real world is often a challenging process. Models trained with data obtained from a specific geographic location tend to fail when queried with data obtained elsewhere, agents trained in a simulation can struggle to adapt when deployed in the real world or novel environments, and neural networks that are fit to a subset of the population might carry some selection bias into their decision process. In this work, we describe the problem of data shift from a novel information-theoretic perspective by (i) identifying and describing the different sources of error, (ii) comparing some of the most promising objectives explored in the recent domain generalization, and fair classification literature. From our theoretical analysis and empirical evaluation, we conclude that the model selection procedure needs to be guided by careful considerations regarding the observed data, the factors used for correction, and the structure of the data-generating process.
Improving Transferability of Representations via Augmentation-Aware Self-Supervision
Venue: Conference NeurIPS 2021
Year: 2021

Recent unsupervised representation learning methods have shown to be effective in a range of vision tasks by learning representations invariant to data augmentations such as random cropping and color jittering. However, such invariance could be harmful to downstream tasks if they rely on the characteristics of the data augmentations, e.g., location- or color-sensitive. This is not an issue just for unsupervised learning; we found that this occurs even in supervised learning because it also learns to predict the same label for all augmented samples of an instance. To avoid such failures and obtain more generalizable representations, we suggest to optimize an auxiliary self-supervised loss, coined AugSelf, that learns the difference of augmentation parameters (e.g., cropping positions, color adjustment intensities) between two randomly augmented samples. Our intuition is that AugSelf encourages to preserve augmentation-aware information in learned representations, which could be beneficial for their transferability. Furthermore, AugSelf can easily be incorporated into recent state-of-the-art representation learning methods with a negligible additional training cost. Extensive experiments demonstrate that our simple idea consistently improves the transferability of representations learned by supervised and unsupervised methods in various transfer learning scenarios. The code is available at https://github.com/hankook/AugSelf.
Long-Short Transformer: Efficient Transformers for Language and Vision
Venue: Conference NeurIPS 2021
Year: 2021

Transformers have achieved success in both language and vision domains. However, it is prohibitively expensive to scale them to long sequences such as long documents or high-resolution images, because self-attention mechanism has quadratic time and memory complexities with respect to the input sequence length. In this paper, we propose Long-Short Transformer (Transformer-LS), an efficient self-attention mechanism for modeling long sequences with linear complexity for both language and vision tasks. It aggregates a novel long-range attention with dynamic projection to model distant correlations and a short-term attention to capture fine-grained local correlations. We propose a dual normalization strategy to account for the scale mismatch between the two attention mechanisms. Transformer-LS can be applied to both autoregressive and bidirectional models without additional complexity. Our method outperforms the state-of-the-art models on multiple tasks in language and vision domains, including the Long Range Arena benchmark, autoregressive language modeling, and ImageNet classification. For instance, Transformer-LS achieves 0.97 test BPC on enwik8 using half the number of parameters than previous method, while being faster and is able to handle 3x as long sequences compared to its full-attention version on the same hardware. On ImageNet, it can obtain the state-of-the-art results (e.g., a moderate size of 55.8M model solely trained on 224x224 ImageNet-1K can obtain Top-1 accuracy 84.1%), while being more scalable on high-resolution images. The source code and models are released at https://github.com/NVIDIA/transformer-ls .
Post-Training Sparsity-Aware Quantization
Venue: Conference NeurIPS 2021
Year: 2021

Quantization is a technique used in deep neural networks (DNNs) to increase execution performance and hardware efficiency. Uniform post-training quantization (PTQ) methods are common, since they can be implemented efficiently in hardware and do not require extensive hardware resources or a training set. Mapping FP32 models to INT8 using uniform PTQ yields models with negligible accuracy degradation; however, reducing precision below 8 bits with PTQ is challenging, as accuracy degradation becomes noticeable, due to the increase in quantization noise. In this paper, we propose a sparsity-aware quantization (SPARQ) method, in which the unstructured and dynamic activation sparsity is leveraged in different representation granularities. 4-bit quantization, for example, is employed by dynamically examining the bits of 8-bit values and choosing a window of 4 bits, while first skipping zero-value bits. Moreover, instead of quantizing activation-by-activation to 4 bits, we focus on pairs of 8-bit activations and examine whether one of the two is equal to zero. If one is equal to zero, the second can opportunistically use the other's 4-bit budget; if both do not equal zero, then each is dynamically quantized to 4 bits, as described. SPARQ achieves minor accuracy degradation and a practical hardware implementation. The code is available at https://github.com/gilshm/sparq.
Robust Auction Design in the Auto-bidding World
Venue: Conference NeurIPS 2021
Year: 2021

In classic auction theory, reserve prices are known to be effective for improving revenue for the auctioneer against quasi-linear utility maximizing bidders. The introduction of reserve prices, however, usually do not help improve total welfare of the auctioneer and the bidders. In this paper, we focus on value maximizing bidders with return on spend constraints -- a paradigm that has drawn considerable attention recently as more advertisers adopt auto-bidding algorithms in advertising platforms -- and show that the introduction of reserve prices has a novel impact on the market. Namely, by choosing reserve prices appropriately the auctioneer can improve not only the total revenue but also the total welfare. Our results also demonstrate that reserve prices are robust to bidder types, i.e., reserve prices work well for different bidder types, such as value maximizers and utility maximizers, without using bidder type information. We generalize these results for a variety of auction mechanisms such as VCG, GSP, and first-price auctions. Moreover, we show how to combine these results with additive boosts to improve the welfare of the outcomes of the auction further. Finally, we complement our theoretical observations with an empirical study confirming the effectiveness of these ideas using data from online advertising auctions.