DeepNLP/ICLR-2023-Accepted-Papers huggingface dataset:
Disentanglement with Biological Constraints: A Theory of Functional Cell Types
Authors: James C. R. Whittington,Will Dorrell,Surya Ganguli,Timothy Behrens

Neurons in the brain are often finely tuned for specific task variables. Moreover, such disentangled representations are highly sought after in machine learning. Here we mathematically prove that simple biological constraints on neurons, namely nonnegativity and energy efficiency in both activity and weights, promote such sought after disentangled representations by enforcing neurons to become selective for single factors of task variation. We demonstrate these constraints lead to disentanglement in a variety of tasks and architectures, including variational autoencoders. We also use this theory to explain why the brain partitions its cells into distinct cell types such as grid and object-vector cells, and also explain when the brain instead entangles representations in response to entangled task factors. Overall, this work provides a mathematical understanding of why single neurons in the brain often represent single human-interpretable factors, and steps towards an understanding task structure shapes the structure of brain representation.
Learning rigid dynamics with face interaction graph networks
Authors: Kelsey R Allen,Yulia Rubanova,Tatiana Lopez-Guevara,William F Whitney,Alvaro Sanchez-Gonzalez,Peter Battaglia,Tobias Pfaff

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate complex physical dynamics, such as fluids, cloth and articulated bodies, they have been less effective and efficient on rigid-body physics, except with very simple shapes. Existing methods that model collisions through the meshes' nodes are often inaccurate because they struggle when collisions occur on faces far from nodes. Alternative approaches that represent the geometry densely with many particles are prohibitively expensive for complex shapes. Here we introduce the ``Face Interaction Graph Network'' (FIGNet) which extends beyond GNN-based methods, and computes interactions between mesh faces, rather than nodes. Compared to learned node- and particle-based methods, FIGNet is around 4x more accurate in simulating complex shape interactions, while also 8x more computationally efficient on sparse, rigid meshes. Moreover, FIGNet can learn frictional dynamics directly from real-world data, and can be more accurate than analytical solvers given modest amounts of training data. FIGNet represents a key step forward in one of the few remaining physical domains which have seen little competition from learned simulators, and offers allied fields such as robotics, graphics and mechanical design a new tool for simulation and model-based planning.
Implicit Bias of Large Depth Networks: a Notion of Rank for Nonlinear Functions
Authors: Arthur Jacot

We show that the representation cost of fully connected neural networks with homogeneous nonlinearities - which describes the implicit bias in function space of networks with $L_2$-regularization or with losses such as the cross-entropy - converges as the depth of the network goes to infinity to a notion of rank over nonlinear functions. We then inquire under which conditions the global minima of the loss recover the `true' rank of the data: we show that for too large depths the global minimum will be approximately rank 1 (underestimating the rank); we then argue that there is a range of depths which grows with the number of datapoints where the true rank is recovered. Finally, we discuss the effect of the rank of a classifier on the topology of the resulting class boundaries and show that autoencoders with optimal nonlinear rank are naturally denoising.
Depth Separation with Multilayer Mean-Field Networks
Authors: Yunwei Ren,Mo Zhou,Rong Ge

Depth separation—why a deeper network is more powerful than a shallow one—has been a major problem in deep learning theory. Previous results often focus on representation power, for example, Safran et al. (2019) constructed a function that is easy to approximate using a 3-layer network but not approximable by any 2-layer network. In this paper, we show that this separation is in fact algorithmic: one can learn the function constructed by Safran et al. (2019) using an overparametrized network with polynomially many neurons efﬁciently. Our result relies on a new way of extending the mean-ﬁeld limit to multilayer networks, and a decomposition of loss that factors out the error introduced by the discretization of inﬁnite-width mean-ﬁeld networks.
Rhino: Deep Causal Temporal Relationship Learning with History-dependent Noise
Authors: Wenbo Gong,Joel Jennings,Cheng Zhang,Nick Pawlowski

Discovering causal relationships between different variables from time series data has been a long-standing challenge for many domains. For example, in stock markets, the announcement of acquisitions from leading companies may have immediate effects on stock prices and increase the uncertainty of the future market due to this past action. To discover causal relations in such case, the model needs to consider non-linear relations between variables, instantaneous effect and the change of noise distribution due to past actions. We name the latter as history-dependent noise. However, previous works do not offer a solution addressing all these problems together. In this paper, we propose a structural equation model, called Rhino, which combines vector auto-regression, deep learning and variational inference to model non-linear relationships with instantaneous effects while allowing the noise distribution to be modulated by history observations. Theoretically, we prove the structural identifiability of Rhino. Our empirical results from extensive synthetic experiments and two real-world benchmarks demonstrate better discovery performance compared to relevant baselines, with ablation studies revealing its robustness under model misspecification.
Semantic Uncertainty: Linguistic Invariances for Uncertainty Estimation in Natural Language Generation
Authors: Lorenz Kuhn,Yarin Gal,Sebastian Farquhar

We introduce a method to measure uncertainty in large language models. For tasks like question answering, it is essential to know when we can trust the natural language outputs of foundation models. We show that measuring uncertainty in natural language is challenging because of "semantic equivalence"—different sentences can mean the same thing. To overcome these challenges we introduce semantic entropy—an entropy which incorporates linguistic invariances created by shared meanings. Our method is unsupervised, uses only a single model, and requires no modifications to off-the-shelf language models. In comprehensive ablation studies we show that the semantic entropy is more predictive of model accuracy on question answering data sets than comparable baselines.
DINO as a von Mises-Fisher mixture model
Authors: Hariprasath Govindarajan,Per Sidén,Jacob Roll,Fredrik Lindsten

Self-distillation methods using Siamese networks are popular for self-supervised pre-training. DINO is one such method based on a cross-entropy loss between $K$-dimensional probability vectors, obtained by applying a softmax function to the dot product between representations and learnt prototypes. Given the fact that the learned representations are $L^2$-normalized, we show that DINO and its derivatives, such as iBOT, can be interpreted as a mixture model of von Mises-Fisher components. With this interpretation, DINO assumes equal precision for all components when the prototypes are also $L^2$-normalized. Using this insight we propose DINO-vMF, that adds appropriate normalization constants when computing the cluster assignment probabilities. Unlike DINO, DINO-vMF is stable also for the larger ViT-Base model with unnormalized prototypes. We show that the added flexibility of the mixture model is beneficial in terms of better image representations. The DINO-vMF pre-trained model consistently performs better than DINO on a range of downstream tasks. We obtain similar improvements for iBOT-vMF vs iBOT and thereby show the relevance of our proposed modification also for other methods derived from DINO.
Associative Memory Augmented Asynchronous Spatiotemporal Representation Learning for Event-based Perception
Authors: Uday Kamal,Saurabh Dash,Saibal Mukhopadhyay

We propose $\textit{EventFormer}$, a computationally efficient event-based representation learning framework for asynchronously processing event camera data. EventFormer treats sparse input events as a spatially unordered set and models their spatial interactions using self-attention mechanism. An associative memory-augmented recurrent module is used to correlate with the stored representation computed from past events. A memory addressing mechanism is proposed to store and retrieve the latent states only $\textit{where}$ these events occur and update them only $\textit{when}$ they occur. The representation learning shift from input space to the latent memory space resulting in reduced computation cost for processing each event. We show that EventFormer achieves 0.5$\%$ and 9$\%$ better accuracy with 30000$\times$ and 200$\times$ less computation compared to the state-of-the-art dense and event-based method, respectively, on event-based object recognition datasets.
SMART: Self-supervised Multi-task pretrAining with contRol Transformers
Authors: Yanchao Sun,Shuang Ma,Ratnesh Madaan,Rogerio Bonatti,Furong Huang,Ashish Kapoor

Self-supervised pretraining has been extensively studied in language and vision domains, where a unified model can be easily adapted to various downstream tasks by pretraining representations without explicit labels. When it comes to sequential decision-making tasks, however, it is difficult to properly design such a pretraining approach that can cope with both high-dimensional perceptual information and the complexity of sequential control over long interaction horizons. The challenge becomes combinatorially more complex if we want to pretrain representations amenable to a large variety of tasks. To tackle this problem, in this work, we formulate a general pretraining-finetuning pipeline for sequential decision making, under which we propose a generic pretraining framework \textit{Self-supervised Multi-task pretrAining with contRol Transformer (SMART)}. By systematically investigating pretraining regimes, we carefully design a Control Transformer (CT) coupled with a novel control-centric pretraining objective in a self-supervised manner. SMART encourages the representation to capture the common essential information relevant to short-term control and long-term control, which is transferrable across tasks. We show by extensive experiments in DeepMind Control Suite that SMART significantly improves the learning efficiency among seen and unseen downstream tasks and domains under different learning scenarios including Imitation Learning (IL) and Reinforcement Learning (RL). Benefiting from the proposed control-centric objective, SMART is resilient to distribution shift between pretraining and finetuning, and even works well with low-quality pretraining datasets that are randomly collected. The codebase, pretrained models and datasets are provided at https://github.com/microsoft/smart.
TEMPERA: Test-Time Prompt Editing via Reinforcement Learning
Authors: Tianjun Zhang,Xuezhi Wang,Denny Zhou,Dale Schuurmans,Joseph E. Gonzalez

Careful prompt design is critical to the use of large language models in zero-shot or few-shot learning.  As a consequence, there is a growing interest in automated methods to design optimal prompts. In this work, we propose Test-time Prompt Editing using Reinforcement learning (TEMPERA). In contrast to prior prompt generation methods, TEMPERA can efficiently leverage prior knowledge, is adaptive to different queries and provides an interpretable prompt for every query. To achieve this, we design a novel action space that allows flexible editing of the initial prompts covering a wide set of commonly-used components like instructions, few-shot exemplars, and verbalizers. The proposed method achieves significant gains compared with recent SoTA approaches like prompt tuning, AutoPrompt, and RLPrompt, across a variety of tasks including sentiment analysis, topic classification, natural language inference, and reading comprehension. Our method achieves 5.33x on average improvement in sample efficiency when compared to the traditional fine-tuning methods.
Provable Defense Against Geometric Transformations
Authors: Rem Yang,Jacob Laurel,Sasa Misailovic,Gagandeep Singh

Geometric image transformations that arise in the real world, such as scaling and rotation, have been shown to easily deceive deep neural networks (DNNs). Hence, training DNNs to be certifiably robust to these perturbations is critical. However, no prior work has been able to incorporate the objective of deterministic certified robustness against geometric transformations into the training procedure, as existing verifiers are exceedingly slow. To address these challenges, we propose the first provable defense for deterministic certified geometric robustness. Our framework leverages a novel GPU-optimized verifier that can certify images between 60$\times$ to 42,600$\times$ faster than existing geometric robustness verifiers, and thus unlike existing works, is fast enough for use in training. Across multiple datasets, our results show that networks trained via our framework consistently achieve state-of-the-art deterministic certified geometric robustness and clean accuracy. Furthermore, for the first time, we verify the geometric robustness of a neural network for the challenging, real-world setting of autonomous driving.
Last Layer Re-Training is Sufficient for Robustness to Spurious Correlations
Authors: Polina Kirichenko,Pavel Izmailov,Andrew Gordon Wilson

Neural network classifiers can largely rely on simple spurious features, such as image backgrounds, to make predictions. However, even in these cases, we show that they still often learn core features associated with the desired attributes of the data, contrary to recent findings. Inspired by this insight, we demonstrate that simple last layer retraining can match or outperform state-of-the-art approaches on spurious correlation benchmarks, but with profoundly lower complexity and computational expenses. Moreover, we show that last layer retraining on large ImageNet-trained models can also significantly reduce reliance on background and texture information, improving robustness to covariate shift, after only minutes of training on a single GPU.
Towards Interpretable Deep Reinforcement Learning with Human-Friendly Prototypes
Authors: Eoin M. Kenny,Mycal Tucker,Julie Shah

Despite recent success of deep learning models in research settings, their application in sensitive domains remains limited because of their opaque decision-making processes. Taking to this challenge, people have proposed various eXplainable AI (XAI) techniques designed to calibrate trust and understandability of black-box models, with the vast majority of work focused on supervised learning. Here, we focus on making an "interpretable-by-design" deep reinforcement learning agent which is forced to use human-friendly prototypes in its decisions, thus making its reasoning process clear. Our proposed method, dubbed Prototype-Wrapper Network (PW-Net), wraps around any neural agent backbone, and results indicate that it does not worsen performance relative to black-box models. Most importantly, we found in a user study that PW-Nets supported better trust calibration and task performance relative to standard interpretability approaches and black-boxes.
The Surprising Effectiveness of Equivariant Models in Domains with Latent Symmetry
Authors: Dian Wang,Jung Yeon Park,Neel Sortur,Lawson L.S. Wong,Robin Walters,Robert Platt

Extensive work has demonstrated that equivariant neural networks can significantly improve sample efficiency and generalization by enforcing an inductive bias in the network architecture. These applications typically assume that the domain symmetry is fully described by explicit transformations of the model inputs and outputs. However, many real-life applications contain only latent or partial symmetries which cannot be easily described by simple transformations of the input. In these cases, it is necessary to learn symmetry in the environment instead of imposing it mathematically on the network architecture. We discover, surprisingly, that imposing equivariance constraints that do not exactly match the domain symmetry is very helpful in learning the true symmetry in the environment. We differentiate between extrinsic and incorrect symmetry constraints and show that while imposing incorrect symmetry can impede the model's performance, imposing extrinsic symmetry can actually improve performance. We demonstrate that an equivariant model can significantly outperform non-equivariant methods on domains with latent symmetries both in supervised learning and in reinforcement learning for robotic manipulation and control problems.
Task-customized Masked Autoencoder via Mixture of Cluster-conditional Experts
Authors: Zhili LIU,Kai Chen,Jianhua Han,Lanqing HONG,Hang Xu,Zhenguo Li,James Kwok

Masked Autoencoder (MAE) is a prevailing self-supervised learning method that achieves promising results in model pre-training. However, when the various downstream tasks have data distributions different from the pre-training data, the semantically irrelevant pre-training information might result in negative transfer, impeding MAE’s scalability. To address this issue, we propose a novel MAE-based pre-training paradigm, Mixture of Cluster-conditional Experts (MoCE), which can be trained once but provides customized pre-training models for diverse downstream tasks. Different from the mixture of experts (MoE), our MoCE trains each expert only with semantically relevant images by using cluster-conditional gates. Thus, each downstream task can be allocated to its customized model pre-trained with data most similar to the downstream data. Experiments on a collection of 11 downstream tasks show that MoCE outperforms the vanilla MAE by 2.45\% on average. It also obtains new state-of-the-art self-supervised learning results on detection and segmentation.
Modeling the Data-Generating Process is Necessary for Out-of-Distribution Generalization
Authors: Jivat Neet Kaur,Emre Kiciman,Amit Sharma

Recent empirical studies on domain generalization (DG) have shown that DG algorithms that perform well on some distribution shifts fail on others, and no state-of-the-art DG algorithm performs consistently well on all shifts. Moreover, real-world data often has multiple distribution shifts over different attributes; hence we introduce multi-attribute distribution shift datasets and find that the accuracy of existing DG algorithms falls even further. To explain these results, we provide a formal characterization of generalization under multi-attribute shifts using a canonical causal graph. Based on the relationship between spurious attributes and the classification label, we obtain realizations of the canonical causal graph that characterize common distribution shifts and show that each shift entails different independence constraints over observed variables. As a result, we prove that any algorithm based on a single, fixed constraint cannot work well across all shifts, providing theoretical evidence for mixed empirical results on DG algorithms. Based on this insight, we develop Causally Adaptive Constraint Minimization (CACM), an algorithm that uses knowledge about the data-generating process to adaptively identify and apply the correct independence constraints for regularization. Results on fully synthetic, MNIST, small NORB, and Waterbirds datasets, covering binary and multi-valued attributes and labels, show that adaptive dataset-dependent constraints lead to the highest accuracy on unseen domains whereas incorrect constraints fail to do so. Our results demonstrate the importance of modeling the causal relationships inherent in the data-generating process.
Using Language to Extend to Unseen Domains
Authors: Lisa Dunlap,Clara Mohri,Devin Guillory,Han Zhang,Trevor Darrell,Joseph E. Gonzalez,Aditi Raghunathan,Anna Rohrbach

It is expensive to collect training data for every possible domain that a vision model may encounter when deployed. We instead consider how simply $\textit{verbalizing}$ the training domain (e.g.``photos of birds'') as well as domains we want to extend to but do not have data for (e.g.``paintings of birds'') can improve robustness. Using a multimodal model with a joint image and language embedding space, our method $\textit{LADS}$ learns a transformation of the image embeddings from the source domain to each target domain, while preserving task relevant information. Without using any images from the target domain, we show that over the $\textit{extended}$ domain containing both source and target, $\textit{LADS}$ outperforms standard fine-tuning and ensemble approaches over a suite of 4 benchmarks targeting domain adaptation and dataset bias.
Can We Find Nash Equilibria at a Linear Rate in Markov Games?
Authors: Zhuoqing Song,Jason D. Lee,Zhuoran Yang

We study decentralized learning in two-player zero-sum discounted Markov games where the goal is to design a policy optimization algorithm for either agent satisfying two properties. First, the player does not need to know the policy of the opponent to update its policy. Second, when both players adopt the algorithm, their joint policy converges to a Nash equilibrium of the game. To this end, we construct a meta-algorithm, dubbed as $\texttt{Homotopy-PO}$, which provably finds a Nash equilibrium at a global linear rate. In particular, $\texttt{Homotopy-PO}$ interweaves two base algorithms $\texttt{Local-Fast}$ and $\texttt{Global-Slow}$ via homotopy continuation. $\texttt{Local-Fast}$ is an algorithm that enjoys local linear convergence while $\texttt{Global-Slow}$ is an algorithm that converges globally but at a slower sublinear rate. By switching between these two base algorithms, $\texttt{Global-Slow}$ essentially serves as a ``guide'' which identifies a benign neighborhood where $\texttt{Local-Fast}$ enjoys fast convergence. However, since the exact size of such a neighborhood is unknown, we apply a doubling trick to switch between these two base algorithms. The switching scheme is delicately designed so that the aggregated performance of the algorithm is driven by $\texttt{Local-Fast}$. Furthermore, we prove that $\texttt{Local-Fast}$ and $\texttt{Global-Slow}$ can both be instantiated by variants of optimistic gradient descent/ascent (OGDA) method, which is of independent interest.