OpenRaiser/Intern-Atlas huggingface dataset:
Machine Unlearning for Random Forests
Venue: Conference ICML 2021
Year: 2021

Responding to user data deletion requests, removing noisy examples, or deleting corrupted training data are just a few reasons for wanting to delete instances from a machine learning (ML) model. However, efficiently removing this data from an ML model is generally difficult. In this paper, we introduce data removal-enabled (DaRE) forests, a variant of random forests that enables the removal of training data with minimal retraining. Model updates for each DaRE tree in the forest are exact, meaning that removing instances from a DaRE model yields exactly the same model as retraining from scratch on updated data. DaRE trees use randomness and caching to make data deletion efficient. The upper levels of DaRE trees use random nodes, which choose split attributes and thresholds uniformly at random. These nodes rarely require updates because they only minimally depend on the data. At the lower levels, splits are chosen to greedily optimize a split criterion such as Gini index or mutual information. DaRE trees cache statistics at each node and training data at each leaf, so that only the necessary subtrees are updated as data is removed. For numerical attributes, greedy nodes optimize over a random subset of thresholds, so that they can maintain statistics while approximating the optimal threshold. By adjusting the number of thresholds considered for greedy nodes, and the number of random nodes, DaRE trees can trade off between more accurate predictions and more efficient updates. In experiments on 13 real-world datasets and one synthetic dataset, we find DaRE forests delete data orders of magnitude faster than retraining from scratch while sacrificing little to no predictive power.
Differentially Private Correlation Clustering
Venue: Conference ICML 2021
Year: 2021

Correlation clustering is a widely used technique in unsupervised machine learning. Motivated by applications where individual privacy is a concern, we initiate the study of differentially private correlation clustering. We propose an algorithm that achieves subquadratic additive error compared to the optimal cost. In contrast, straightforward adaptations of existing non-private algorithms all lead to a trivial quadratic error. Finally, we give a lower bound showing that any pure differentially private algorithm for correlation clustering requires additive error of $Ω(n)$.
A Theory of Label Propagation for Subpopulation Shift
Venue: Conference ICML 2021
Year: 2021

One of the central problems in machine learning is domain adaptation. Unlike past theoretical work, we consider a new model for subpopulation shift in the input or representation space. In this work, we propose a provably effective framework for domain adaptation based on label propagation. In our analysis, we use a simple but realistic expansion assumption, proposed in \citet{wei2021theoretical}. Using a teacher classifier trained on the source domain, our algorithm not only propagates to the target domain but also improves upon the teacher. By leveraging existing generalization bounds, we also obtain end-to-end finite-sample guarantees on the entire algorithm. In addition, we extend our theoretical framework to a more general setting of source-to-target transfer based on a third unlabeled dataset, which can be easily applied in various learning scenarios. Inspired by our theory, we adapt consistency-based semi-supervised learning methods to domain adaptation settings and gain significant improvements.
GraphNorm: A Principled Approach to Accelerating Graph Neural Network Training
Venue: Conference ICML 2021
Year: 2021

Normalization is known to help the optimization of deep neural networks. Curiously, different architectures require specialized normalization methods. In this paper, we study what normalization is effective for Graph Neural Networks (GNNs). First, we adapt and evaluate the existing methods from other domains to GNNs. Faster convergence is achieved with InstanceNorm compared to BatchNorm and LayerNorm. We provide an explanation by showing that InstanceNorm serves as a preconditioner for GNNs, but such preconditioning effect is weaker with BatchNorm due to the heavy batch noise in graph datasets. Second, we show that the shift operation in InstanceNorm results in an expressiveness degradation of GNNs for highly regular graphs. We address this issue by proposing GraphNorm with a learnable shift. Empirically, GNNs with GraphNorm converge faster compared to GNNs using other normalization. GraphNorm also improves the generalization of GNNs, achieving better performance on graph classification benchmarks.
High-dimensional Experimental Design and Kernel Bandits
Venue: Conference ICML 2021
Year: 2021

In recent years methods from optimal linear experimental design have been leveraged to obtain state of the art results for linear bandits. A design returned from an objective such as $G$-optimal design is actually a probability distribution over a pool of potential measurement vectors. Consequently, one nuisance of the approach is the task of converting this continuous probability distribution into a discrete assignment of $N$ measurements. While sophisticated rounding techniques have been proposed, in $d$ dimensions they require $N$ to be at least $d$, $d \log(\log(d))$, or $d^2$ based on the sub-optimality of the solution. In this paper we are interested in settings where $N$ may be much less than $d$, such as in experimental design in an RKHS where $d$ may be effectively infinite. In this work, we propose a rounding procedure that frees $N$ of any dependence on the dimension $d$, while achieving nearly the same performance guarantees of existing rounding procedures. We evaluate the procedure against a baseline that projects the problem to a lower dimensional space and performs rounding which requires $N$ to just be at least a notion of the effective dimension. We also leverage our new approach in a new algorithm for kernelized bandits to obtain state of the art results for regret minimization and pure exploration. An advantage of our approach over existing UCB-like approaches is that our kernel bandit algorithms are also robust to model misspecification.
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
Venue: Conference ICML 2021
Year: 2021

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the diversity of the sequences (therefore structures and functions) within a fold. To overcome these challenges, we propose Fold2Seq, a novel transformer-based generative framework for designing protein sequences conditioned on a specific target fold. To model the complex sequence--structure relationship, Fold2Seq jointly learns a sequence embedding using a transformer and a fold embedding from the density of secondary structural elements in 3D voxels. On test sets with single, high-resolution and complete structure inputs for individual folds, our experiments demonstrate improved or comparable performance of Fold2Seq in terms of speed, coverage, and reliability for sequence design, when compared to existing state-of-the-art methods that include data-driven deep generative models and physics-based RosettaDesign. The unique advantages of fold-based Fold2Seq, in comparison to a structure-based deep model and RosettaDesign, become more evident on three additional real-world challenges originating from low-quality, incomplete, or ambiguous input structures. Source code and data are available at https://github.com/IBM/fold2seq.
Optimizing persistent homology based functions
Venue: Conference ICML 2021
Year: 2021

Solving optimization tasks based on functions and losses with a topological flavor is a very active, growing field of research in data science and Topological Data Analysis, with applications in non-convex optimization, statistics and machine learning. However, the approaches proposed in the literature are usually anchored to a specific application and/or topological construction, and do not come with theoretical guarantees. To address this issue, we study the differentiability of a general map associated with the most common topological construction, that is, the persistence map. Building on real analytic geometry arguments, we propose a general framework that allows us to define and compute gradients for persistence-based functions in a very simple way. We also provide a simple, explicit and sufficient condition for convergence of stochastic subgradient methods for such functions. This result encompasses all the constructions and applications of topological optimization in the literature. Finally, we provide associated code, that is easy to handle and to mix with other non-topological methods and constraints, as well as some experiments showcasing the versatility of our approach.
Multi-Receiver Online Bayesian Persuasion
Venue: Conference ICML 2021
Year: 2021

Bayesian persuasion studies how an informed sender should partially disclose information to influence the behavior of a self-interested receiver. Classical models make the stringent assumption that the sender knows the receiver's utility. This can be relaxed by considering an online learning framework in which the sender repeatedly faces a receiver of an unknown, adversarially selected type. We study, for the first time, an online Bayesian persuasion setting with multiple receivers. We focus on the case with no externalities and binary actions, as customary in offline models. Our goal is to design no-regret algorithms for the sender with polynomial per-iteration running time. First, we prove a negative result: for any $0 < α\leq 1$, there is no polynomial-time no-$α$-regret algorithm when the sender's utility function is supermodular or anonymous. Then, we focus on the case of submodular sender's utility functions and we show that, in this case, it is possible to design a polynomial-time no-$(1 - \frac{1}{e})$-regret algorithm. To do so, we introduce a general online gradient descent scheme to handle online learning problems with a finite number of possible loss functions. This requires the existence of an approximate projection oracle. We show that, in our setting, there exists one such projection oracle which can be implemented in polynomial time.
Disentangling syntax and semantics in the brain with deep networks
Venue: Conference ICML 2021
Year: 2021

The activations of language transformers like GPT-2 have been shown to linearly map onto brain activity during speech comprehension. However, the nature of these activations remains largely unknown and presumably conflate distinct linguistic classes. Here, we propose a taxonomy to factorize the high-dimensional activations of language models into four combinatorial classes: lexical, compositional, syntactic, and semantic representations. We then introduce a statistical method to decompose, through the lens of GPT-2's activations, the brain activity of 345 subjects recorded with functional magnetic resonance imaging (fMRI) during the listening of ~4.6 hours of narrated text. The results highlight two findings. First, compositional representations recruit a more widespread cortical network than lexical ones, and encompass the bilateral temporal, parietal and prefrontal cortices. Second, contrary to previous claims, syntax and semantics are not associated with separated modules, but, instead, appear to share a common and distributed neural substrate. Overall, this study introduces a versatile framework to isolate, in the brain activity, the distributed representations of linguistic constructs.
Fair Classification with Noisy Protected Attributes: A Framework with Provable Guarantees
Venue: Conference ICML 2021
Year: 2021

We present an optimization framework for learning a fair classifier in the presence of noisy perturbations in the protected attributes. Compared to prior work, our framework can be employed with a very general class of linear and linear-fractional fairness constraints, can handle multiple, non-binary protected attributes, and outputs a classifier that comes with provable guarantees on both accuracy and fairness. Empirically, we show that our framework can be used to attain either statistical rate or false positive rate fairness guarantees with a minimal loss in accuracy, even when the noise is large, in two real-world datasets.
Learning Routines for Effective Off-Policy Reinforcement Learning
Venue: Conference ICML 2021
Year: 2021

The performance of reinforcement learning depends upon designing an appropriate action space, where the effect of each action is measurable, yet, granular enough to permit flexible behavior. So far, this process involved non-trivial user choices in terms of the available actions and their execution frequency. We propose a novel framework for reinforcement learning that effectively lifts such constraints. Within our framework, agents learn effective behavior over a routine space: a new, higher-level action space, where each routine represents a set of 'equivalent' sequences of granular actions with arbitrary length. Our routine space is learned end-to-end to facilitate the accomplishment of underlying off-policy reinforcement learning objectives. We apply our framework to two state-of-the-art off-policy algorithms and show that the resulting agents obtain relevant performance improvements while requiring fewer interactions with the environment per episode, improving computational efficiency.
HoroPCA: Hyperbolic Dimensionality Reduction via Horospherical Projections
Venue: Conference ICML 2021
Year: 2021

This paper studies Principal Component Analysis (PCA) for data lying in hyperbolic spaces. Given directions, PCA relies on: (1) a parameterization of subspaces spanned by these directions, (2) a method of projection onto subspaces that preserves information in these directions, and (3) an objective to optimize, namely the variance explained by projections. We generalize each of these concepts to the hyperbolic space and propose HoroPCA, a method for hyperbolic dimensionality reduction. By focusing on the core problem of extracting principal directions, HoroPCA theoretically better preserves information in the original data such as distances, compared to previous generalizations of PCA. Empirically, we validate that HoroPCA outperforms existing dimensionality reduction methods, significantly reducing error in distance preservation. As a data whitening method, it improves downstream classification by up to 3.9% compared to methods that don't use whitening. Finally, we show that HoroPCA can be used to visualize hyperbolic data in two dimensions.
Goal-Conditioned Reinforcement Learning with Imagined Subgoals
Venue: Conference ICML 2021
Year: 2021

Goal-conditioned reinforcement learning endows an agent with a large variety of skills, but it often struggles to solve tasks that require more temporally extended reasoning. In this work, we propose to incorporate imagined subgoals into policy learning to facilitate learning of complex tasks. Imagined subgoals are predicted by a separate high-level policy, which is trained simultaneously with the policy and its critic. This high-level policy predicts intermediate states halfway to the goal using the value function as a reachability metric. We don't require the policy to reach these subgoals explicitly. Instead, we use them to define a prior policy, and incorporate this prior into a KL-constrained policy iteration scheme to speed up and regularize learning. Imagined subgoals are used during policy learning, but not during test time, where we only apply the learned policy. We evaluate our approach on complex robotic navigation and manipulation tasks and show that it outperforms existing methods by a large margin.
Locally Private k-Means in One Round
Venue: Conference ICML 2021
Year: 2021

We provide an approximation algorithm for k-means clustering in the one-round (aka non-interactive) local model of differential privacy (DP). This algorithm achieves an approximation ratio arbitrarily close to the best non private approximation algorithm, improving upon previously known algorithms that only guarantee large (constant) approximation ratios. Furthermore, this is the first constant-factor approximation algorithm for k-means that requires only one round of communication in the local DP model, positively resolving an open question of Stemmer (SODA 2020). Our algorithmic framework is quite flexible; we demonstrate this by showing that it also yields a similar near-optimal approximation algorithm in the (one-round) shuffle DP model.
Image-Level or Object-Level? A Tale of Two Resampling Strategies for Long-Tailed Detection
Venue: Conference ICML 2021
Year: 2021

Training on datasets with long-tailed distributions has been challenging for major recognition tasks such as classification and detection. To deal with this challenge, image resampling is typically introduced as a simple but effective approach. However, we observe that long-tailed detection differs from classification since multiple classes may be present in one image. As a result, image resampling alone is not enough to yield a sufficiently balanced distribution at the object level. We address object-level resampling by introducing an object-centric memory replay strategy based on dynamic, episodic memory banks. Our proposed strategy has two benefits: 1) convenient object-level resampling without significant extra computation, and 2) implicit feature-level augmentation from model updates. We show that image-level and object-level resamplings are both important, and thus unify them with a joint resampling strategy (RIO). Our method outperforms state-of-the-art long-tailed detection and segmentation methods on LVIS v0.5 across various backbones. Code is available at https://github.com/NVlabs/RIO.
DeepWalking Backwards: From Embeddings Back to Graphs
Venue: Conference ICML 2021
Year: 2021

Low-dimensional node embeddings play a key role in analyzing graph datasets. However, little work studies exactly what information is encoded by popular embedding methods, and how this information correlates with performance in downstream machine learning tasks. We tackle this question by studying whether embeddings can be inverted to (approximately) recover the graph used to generate them. Focusing on a variant of the popular DeepWalk method (Perozzi et al., 2014; Qiu et al., 2018), we present algorithms for accurate embedding inversion - i.e., from the low-dimensional embedding of a graph G, we can find a graph H with a very similar embedding. We perform numerous experiments on real-world networks, observing that significant information about G, such as specific edges and bulk properties like triangle density, is often lost in H. However, community structure is often preserved or even enhanced. Our findings are a step towards a more rigorous understanding of exactly what information embeddings encode about the input graph, and why this information is useful for learning tasks.
Differentiable Spatial Planning using Transformers
Venue: Conference ICML 2021
Year: 2021

We consider the problem of spatial path planning. In contrast to the classical solutions which optimize a new plan from scratch and assume access to the full map with ground truth obstacle locations, we learn a planner from the data in a differentiable manner that allows us to leverage statistical regularities from past data. We propose Spatial Planning Transformers (SPT), which given an obstacle map learns to generate actions by planning over long-range spatial dependencies, unlike prior data-driven planners that propagate information locally via convolutional structure in an iterative manner. In the setting where the ground truth map is not known to the agent, we leverage pre-trained SPTs in an end-to-end framework that has the structure of mapper and planner built into it which allows seamless generalization to out-of-distribution maps and goals. SPTs outperform prior state-of-the-art differentiable planners across all the setups for both manipulation and navigation tasks, leading to an absolute improvement of 7-19%.
Solving Challenging Dexterous Manipulation Tasks With Trajectory Optimisation and Reinforcement Learning
Venue: Conference ICML 2021
Year: 2021

Training agents to autonomously learn how to use anthropomorphic robotic hands has the potential to lead to systems capable of performing a multitude of complex manipulation tasks in unstructured and uncertain environments. In this work, we first introduce a suite of challenging simulated manipulation tasks that current reinforcement learning and trajectory optimisation techniques find difficult. These include environments where two simulated hands have to pass or throw objects between each other, as well as an environment where the agent must learn to spin a long pen between its fingers. We then introduce a simple trajectory optimisation that performs significantly better than existing methods on these environments. Finally, on the challenging PenSpin task we combine sub-optimal demonstrations generated through trajectory optimisation with off-policy reinforcement learning, obtaining performance that far exceeds either of these approaches individually, effectively solving the environment. Videos of all of our results are available at: https://dexterous-manipulation.github.io/
Actionable Models: Unsupervised Offline Reinforcement Learning of Robotic Skills
Venue: Conference ICML 2021
Year: 2021

We consider the problem of learning useful robotic skills from previously collected offline data without access to manually specified rewards or additional online exploration, a setting that is becoming increasingly important for scaling robot learning by reusing past robotic data. In particular, we propose the objective of learning a functional understanding of the environment by learning to reach any goal state in a given dataset. We employ goal-conditioned Q-learning with hindsight relabeling and develop several techniques that enable training in a particularly challenging offline setting. We find that our method can operate on high-dimensional camera images and learn a variety of skills on real robots that generalize to previously unseen scenes and objects. We also show that our method can learn to reach long-horizon goals across multiple episodes through goal chaining, and learn rich representations that can help with downstream tasks through pre-training or auxiliary objectives. The videos of our experiments can be found at https://actionable-models.github.io
Unsupervised Learning of Visual 3D Keypoints for Control
Venue: Conference ICML 2021
Year: 2021

Learning sensorimotor control policies from high-dimensional images crucially relies on the quality of the underlying visual representations. Prior works show that structured latent space such as visual keypoints often outperforms unstructured representations for robotic control. However, most of these representations, whether structured or unstructured are learned in a 2D space even though the control tasks are usually performed in a 3D environment. In this work, we propose a framework to learn such a 3D geometric structure directly from images in an end-to-end unsupervised manner. The input images are embedded into latent 3D keypoints via a differentiable encoder which is trained to optimize both a multi-view consistency loss and downstream task objective. These discovered 3D keypoints tend to meaningfully capture robot joints as well as object movements in a consistent manner across both time and 3D space. The proposed approach outperforms prior state-of-art methods across a variety of reinforcement learning benchmarks. Code and videos at https://buoyancy99.github.io/unsup-3d-keypoints/