mtybilly/Instruct2DS huggingface dataset:
Self-Supervised Geometric Correspondence for Category-Level 6D Object Pose Estimation in the Wild
Authors: Yang Fu, Shubhankar Borse, Hong Cai, Fatih Porikli, Xiaolong Wang Kaifeng Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: While 6D object pose estimation has wide applications across computer vision and robotics, it remains far from being solved due to the lack of annotations. The problem becomes even more challenging when moving to category-level 6D pose, which requires generalization to unseen instances. Current approaches are restricted by leveraging annotations from simulation or collected from humans. In this paper, we overcome this barrier by introducing a self-supervised learning approach trained directly on large-scale real-world object videos for category-level 6D pose estimation in the wild. Our framework reconstructs the canonical 3D shape of an object category and learns dense correspondences between input images and the canonical shape via surface embedding. For training, we propose novel geometrical cycle-consistency losses which construct cycles across 2D-3D spaces, across different instances and different time steps. The learned correspondence can be applied for 6D pose estimation and other downstream tasks such as keypoint transfer. Surprisingly, our method, without any human annotations or simulators, can achieve on-par or even better performance than previous supervised or semi-supervised methods on in-the-wild images. Code and videos are available at https://kywind.github.io/self-pose.
Dynamic Update-to-Data Ratio: Minimizing World Model Overfitting
Authors: Tim Welschehold, Wolfram Burgard Nicolai Dorka
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Early stopping based on the validation set performance is a popular approach to find the right balance between under- and overfitting in the context of supervised learning. However, in reinforcement learning, even for supervised sub-problems such as world model learning, early stopping is not applicable as the dataset is continually evolving. As a solution, we propose a new general method that dynamically adjusts the update to data (UTD) ratio during training based on under- and overfitting detection on a small subset of the continuously collected experience not used for training. We apply our method to DreamerV2, a state-of-the-art model-based reinforcement learning algorithm, and evaluate it on the DeepMind Control Suite and the Atari 100k benchmark. The results demonstrate that one can better balance under- and overestimation by adjusting the UTD ratio with our approach compared to the default setting in DreamerV2 and that it is competitive with an extensive hyperparameter search which is not feasible for many applications. Our method eliminates the need to set the UTD hyperparameter by hand and even leads to a higher robustness with regard to other learning-related hyperparameters further reducing the amount of necessary tuning.
A Theoretical Framework for Inference and Learning in Predictive Coding Networks
Authors: Yuhang Song, Tommaso Salvatori, Thomas Lukasiewicz, Rafal Bogacz Beren Millidge
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Predictive coding (PC) is an influential theory in computational neuroscience, which argues that the cortex forms unsupervised world models by implementing a hierarchical process of prediction error minimization. PC networks (PCNs) are trained in two phases. First, neural activities are updated to optimize the network's response to external stimuli. Second, synaptic weights are updated to consolidate this change in activity --- an algorithm called \emph{prospective configuration}. While previous work has shown how in various limits, PCNs can be found to approximate backpropagation (BP), recent work has demonstrated that PCNs operating in this standard regime, which does not approximate BP, nevertheless obtain competitive training and generalization performance to BP-trained networks while outperforming them on various tasks. However, little is understood theoretically about the properties and dynamics of PCNs in this regime. In this paper, we provide a comprehensive theoretical analysis of the properties of PCNs trained with prospective configuration. We first derive analytical results concerning the inference equilibrium for PCNs and a previously unknown close connection relationship to target propagation (TP). Secondly, we provide a theoretical analysis of learning in PCNs as a variant of generalized expectation-maximization and use that to prove the convergence of PCNs to critical points of the BP loss function, thus showing that deep PCNs can, in theory, achieve the same generalization performance as BP, while maintaining their unique advantages.
Associative Memory Augmented Asynchronous Spatiotemporal Representation Learning for Event-based Perception
Authors: Saurabh Dash, Saibal Mukhopadhyay Uday Kamal
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: 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.
Robust Scheduling with GFlowNets
Authors: Corrado Rainone, Markus Peschl, Roberto Bondesan David W Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Finding the best way to schedule operations in a computation graph is a classical NP-hard problem which is central to compiler optimization. However, evaluating the goodness of a schedule on the target hardware can be very time-consuming. Traditional approaches as well as previous machine learning ones typically optimize proxy metrics, which are fast to evaluate but can lead to bad schedules when tested on the target hardware. In this work, we propose a new approach to scheduling by sampling proportionally to the proxy metric using a novel GFlowNet method. We introduce a technique to control the trade-off between diversity and goodness of the proposed schedules at inference time and demonstrate empirically that the pure optimization baselines can lead to subpar performance with respect to our approach when tested on a target model. Furthermore, we show that conditioning the GFlowNet on the computation graph enables generalization to unseen scheduling problems for both synthetic and real-world compiler datasets.
Masked Unsupervised Self-training for Label-free Image Classification 
Authors: Silvio Savarese, Steven Hoi Junnan Li
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: State-of-the-art computer vision models are mostly trained with supervised learning using human-labeled images, which limits their scalability due to the expensive annotation cost. While self-supervised representation learning has achieved impressive progress, it still requires a second stage of finetuning on labeled data. On the other hand, models pre-trained with large-scale text supervision (e.g., CLIP) have enabled zero-shot transfer to downstream image classification tasks. However, the zero-shot performance of CLIP-like models are often insufficient for real-world adoption. In this paper, we aim to leverage the abundant unlabeled data from a target domain to improve the performance of a pre-trained zero-shot classifier, by unsupervised finetuning of the pre-trained model. We propose Masked Unsupervised Self-Training (MUST), a new approach which leverages two different and complimentary sources of training signals: pseudo-labels and raw images. MUST jointly optimizes three objectives to learn both class-level global feature and pixel-level local feature and enforces a regularization between the two. We demonstrate the efficacy of MUST on 8 downstream tasks across a variety of domains, where it improves upon CLIP by a large margin. MUST also outperforms supervised few-shot adaptation methods. It achieves a top-1 accuracy of 77.7% on ImageNet using ViT-B, +9.4% higher than CLIP, and +6.2% higher than 16-shot CLIP adaptation. Our code is available at https://github.com/salesforce/MUST.
UniKGQA: Unified Retrieval and Reasoning for Solving Multi-hop Question Answering Over Knowledge Graph
Authors: Kun Zhou, Xin Zhao, Ji-Rong Wen Jinhao Jiang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Multi-hop Question Answering over Knowledge Graph~(KGQA) aims to find the answer entities that are multiple hops away from the topic entities mentioned in a natural language question on a large-scale Knowledge Graph (KG).
To cope with the vast search space, existing work usually adopts a two-stage approach: it first retrieves a relatively small subgraph related to the question and then performs the reasoning on the subgraph to find the answer entities accurately.
Although these two stages are highly related, previous work employs very different technical solutions for developing the retrieval and reasoning models, neglecting their relatedness in task essence. 
In this paper, we propose UniKGQA, a novel approach for multi-hop KGQA task, by unifying  retrieval and reasoning in both model architecture and parameter learning.
For model architecture, UniKGQA consists of a semantic matching module based on a pre-trained language model~(PLM) for question-relation semantic matching, and a matching information propagation module to propagate the matching information along the directed edges on KGs.
For parameter learning, we design a shared pre-training task based on question-relation matching for both retrieval and reasoning models, and then propose retrieval- and reasoning-oriented fine-tuning strategies.
Compared with previous studies, our approach is more unified, tightly relating the retrieval and reasoning stages. 
Extensive experiments on three benchmark datasets have demonstrated the effectiveness of our method on the multi-hop KGQA task.
Our codes and data are publicly available at~\url{https://github.com/RUCAIBox/UniKGQA}.
Evolve Smoothly, Fit Consistently: Learning Smooth Latent Dynamics For Advection-Dominated Systems
Authors: Leonardo Zepeda-Nunez, Anudhyan Boral, Fei Sha Zhong Yi Wan
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We present a data-driven, space-time continuous framework to learn surrogate models for complex physical systems described by advection-dominated partial differential equations. Those systems have slow-decaying Kolmogorov n-width that hinders standard methods, including reduced order modeling, from producing high-fidelity simulations at low cost. In this work, we construct hypernetwork-based latent dynamical models directly on the parameter space of a compact representation network. We leverage the expressive power of the network and a specially designed consistency-inducing regularization to obtain latent trajectories that are both low-dimensional and smooth. These properties render our surrogate models highly efficient at inference time. We show the efficacy of our framework by learning models that generate accurate multi-step rollout predictions at much faster inference speed compared to competitors, for several challenging examples.
Multi-skill Mobile Manipulation for Object Rearrangement
Authors: Devendra Singh Chaplot, Hao Su, Jitendra Malik Jiayuan Gu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We study a modular approach to tackle long-horizon mobile manipulation tasks for object rearrangement, which decomposes a full task into a sequence of subtasks. To tackle the entire task, prior work chains multiple stationary manipulation skills with a point-goal navigation skill, which are learned individually on subtasks. Although more effective than monolithic end-to-end RL policies, this framework suffers from compounding errors in skill chaining, e.g., navigating to a bad location where a stationary manipulation skill can not reach its target to manipulate. To this end, we propose that the manipulation skills should include mobility to have flexibility in interacting with the target object from multiple locations and at the same time the navigation skill could have multiple end points which lead to successful manipulation. We operationalize these ideas by implementing mobile manipulation skills rather than stationary ones and training a navigation skill trained with region goal instead of point goal. We evaluate our multi-skill mobile manipulation method M3 on 3 challenging long-horizon mobile manipulation tasks in the Home Assistant Benchmark (HAB), and show superior performance as compared to the baselines.
Interpretations of Domain Adaptations via Layer Variational Analysis
Authors: Hsin-Yi Lin, Kuo-Hsuan Hung, Yu Tsao Huan-Hsin Tseng
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Transfer learning is known to perform efficiently in many applications empirically, yet limited literature reports the mechanism behind the scene. This study establishes both formal derivations and heuristic analysis to formulate the theory of transfer learning in deep learning. Our framework utilizing layer variational analysis proves that the success of transfer learning can be guaranteed with corresponding data conditions. Moreover, our theoretical calculation yields intuitive interpretations towards the knowledge transfer process. Subsequently, an alternative method for network-based transfer learning is derived. The method shows an increase in efficiency and accuracy for domain adaptation. It is particularly advantageous when new domain data is sufficiently sparse during adaptation. Numerical experiments over diverse tasks validated our theory and verified that our analytic expression achieved better performance in domain adaptation than the gradient descent method.
Efficient Offline Policy Optimization with a Learned Model
Authors: Siyi Li, Wee Sun Lee, Shuicheng YAN, Zhongwen Xu Zichen Liu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: MuZero Unplugged presents a promising approach for offline policy learning from logged data. It conducts Monte-Carlo Tree Search (MCTS) with a learned model and leverages Reanalyze algorithm to learn purely from offline data. For good performance, MCTS requires accurate learned models and a large number of simulations, thus costing huge computing time. This paper investigates a few hypotheses where MuZero Unplugged may not work well under the offline RL settings, including 1) learning with limited data coverage; 2) learning from offline data of stochastic environments; 3) improperly parameterized models given the offline data; 4) with a low compute budget. We propose to use a regularized one-step look-ahead approach to tackle the above issues. Instead of planning with the expensive MCTS, we use the learned model to construct an advantage estimation based on a one-step rollout. Policy improvements are towards the direction that maximizes the estimated advantage with regularization of the dataset. We conduct extensive empirical studies with BSuite environments to verify the hypotheses and then run our algorithm on the RL Unplugged Atari benchmark. Experimental results show that our proposed approach achieves stable performance even with an inaccurate learned model. On the large-scale Atari benchmark, the proposed method outperforms MuZero Unplugged by 43%. Most significantly, it uses only 5.6% wall-clock time (i.e., 1 hour) compared to MuZero Unplugged (i.e., 17.8 hours) to achieve a 150% IQM normalized score with the same hardware and software stacks. Our implementation is open-sourced at https://github.com/sail-sg/rosmo.
How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules
Authors: Ziqiao Xu, Jiaqi Ma, Qiaozhu Mei Yutong Xie
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Forming a molecular candidate set that contains a wide range of potentially effective compounds is crucial to the success of drug discovery. While most databases and machine-learning-based generation models aim to optimize particular chemical properties, there is limited literature on how to properly measure the coverage of the chemical space by those candidates included or generated. This problem is challenging due to the lack of formal criteria to select good measures of the chemical space. In this paper, we propose a novel evaluation framework for measures of the chemical space based on two analyses: an axiomatic analysis with three intuitive axioms that a good measure should obey, and an empirical analysis on the correlation between a measure and a proxy gold standard. Using this framework, we are able to identify #Circles, a new measure of chemical space coverage, which is superior to existing measures both analytically and empirically. We further evaluate how well the existing databases and generation models cover the chemical space in terms of #Circles. The results suggest that many generation models fail to explore a larger space over existing databases, which leads to new opportunities for improving generation models by encouraging exploration.
A Call to Reflect on Evaluation Practices for Failure Detection in Image Classification
Authors: Carsten Tim Lüth, Lukas Klein, Till J. Bungert Paul F Jaeger
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Reliable application of machine learning-based decision systems in the wild is one of the major challenges currently investigated by the field. A large portion of established approaches aims to detect erroneous predictions by means of assigning confidence scores. This confidence may be obtained by either quantifying the model's predictive uncertainty, learning explicit scoring functions, or assessing whether the input is in line with the training distribution. Curiously, while these approaches all state to address the same eventual goal of detecting failures of a classifier upon real-world application, they currently constitute largely separated research fields with individual evaluation protocols, which either exclude a substantial part of relevant methods or ignore large parts of relevant failure sources. In this work, we systematically reveal current pitfalls caused by these inconsistencies and derive requirements for a holistic and realistic evaluation of failure detection. To demonstrate the relevance of this unified perspective, we present a large-scale empirical study for the first time enabling benchmarking confidence scoring functions w.r.t all relevant methods and failure sources. The revelation of a simple softmax response baseline as the overall best performing method underlines the drastic shortcomings of current evaluation in the plethora of publicized research on confidence scoring. Code and trained models are at https://github.com/https://github.com/IML-DKFZ/fd-shifts
Provably Efficient Risk-Sensitive Reinforcement Learning: Iterated CVaR and Worst Path
Authors: Siwei Wang, Longbo Huang Yihan Du
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: In this paper, we study a novel episodic risk-sensitive Reinforcement Learning (RL) problem, named Iterated CVaR RL, which aims to maximize the tail of the reward-to-go at each step, and focuses on tightly controlling the risk of getting into catastrophic situations at each stage. This formulation is applicable to real-world tasks that demand strong risk avoidance throughout the decision process, such as autonomous driving, clinical treatment planning and robotics. We investigate two performance metrics under Iterated CVaR RL, i.e., Regret Minimization  and Best Policy Identification. For both metrics, we design efficient algorithms ICVaR-RM and ICVaR-BPI, respectively, and provide nearly matching upper and lower bounds with respect to the number of episodes $K$. We also investigate an interesting limiting case of Iterated CVaR RL, called Worst Path RL, where the objective becomes to maximize the minimum possible cumulative reward. For Worst Path RL, we propose an efficient algorithm with constant upper and lower bounds. Finally, the techniques we develop for bounding the change of CVaR due to the value function shift and decomposing the regret via a distorted visitation distribution are novel, and can find applications in other risk-sensitive online learning problems.
The Tilted Variational Autoencoder: Improving Out-of-Distribution Detection
Authors: Stefan Kremer, Mihai Nica Griffin Floto
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A problem with using the Gaussian distribution as a prior for the variational autoencoder (VAE) is that the set on which Gaussians have high probability density is small as the latent dimension increases. This is an issue because VAEs try to attain both a high likelihood with respect to a prior distribution and at the same time, separation between points for better reconstruction. Therefore, a small volume in the high-density region of the prior is problematic because it restricts the separation of latent points.  To ameliorate this, we propose a simple generalization of the Gaussian distribution, called the tilted Gaussian, which has a maximum probability density occurring on a sphere instead of a single point. The tilted Gaussian has exponentially more volume in high-density regions than the standard Gaussian as a function of the distribution dimension. We empirically demonstrate that this simple change in the prior distribution improves VAE performance on the task of detecting unsupervised out-of-distribution (OOD) samples. We also introduce a new OOD testing procedure, called the Will-It-Move test, where the tilted Gaussian achieves remarkable OOD performance.
Learning with Auxiliary Activation for Memory-Efficient Training
Authors: Dongsuk Jeon Sunghyeon Woo
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: While deep learning has achieved great success in various fields, a large amount of memory is necessary to train deep neural networks, which hinders the development of massive state-of-the-art models. The reason is the conventional learning rule, backpropagation, should temporarily store input activations of all the layers in the network. To overcome this, recent studies suggested various memory-efficient implementations of backpropagation. However, those approaches incur computational overhead due to the recomputation of activations, slowing down neural network training. In this work, we propose a new learning rule which significantly reduces memory requirements while closely matching the performance of backpropagation. The algorithm combines auxiliary activation with output activation during forward propagation, while only auxiliary activation is used during backward propagation instead of actual input activation to reduce the amount of data to be temporarily stored. We mathematically show that our learning rule can reliably train the networks whose loss landscape is convex if the auxiliary activation satisfies certain conditions. Based on this observation, we suggest candidates of auxiliary activation that satisfy those conditions. Experimental results confirm that the proposed learning rule achieves competitive performance compared to backpropagation in various models such as ResNet, Transformer, BERT, ViT, and MLP-Mixer.
GeneFace: Generalized and High-Fidelity Audio-Driven 3D Talking Face Synthesis
Authors: Ziyue Jiang, Yi Ren, Jinglin Liu, Jinzheng He, Zhou Zhao Zhenhui Ye
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Generating photo-realistic video portraits with arbitrary speech audio is a crucial problem in film-making and virtual reality. Recently, several works explore the usage of neural radiance field (NeRF) in this task to improve 3D realness and image fidelity. However, the generalizability of previous NeRF-based methods is limited by the small scale of training data. In this work, we propose GeneFace, a generalized and high-fidelity NeRF-based talking face generation method, which can generate natural results corresponding to various out-of-domain audio. Specifically, we learn a variational motion generator on a large lip-reading corpus, and introduce a domain adaptative post-net to calibrate the result. Moreover, we learn a NeRF-based renderer conditioned on the predicted motion. A head-aware torso-NeRF is proposed to eliminate the head-torso separation problem. Extensive experiments show that our method achieves more generalized and high-fidelity talking face generation compared to previous methods. Video samples and source code are available at https://geneface.github.io .
Weighted Clock Logic Point Process
Authors: Yunshi Wen, Debarun Bhattacharjya, Ronny Luss, Tengfei Ma, Achille Fokoue, Anak Agung Julius Ruixuan Yan
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Datasets involving multivariate event streams are prevalent in numerous applications. We present a novel framework for modeling temporal point processes called clock logic neural networks (CLNN) which learn weighted clock logic (wCL) formulas as interpretable temporal rules by which some events promote or inhibit other events. Specifically, CLNN models temporal relations between events using conditional intensity rates informed by a set of wCL formulas, which are more expressive than related prior work. Unlike conventional approaches of searching for generative rules through expensive combinatorial optimization, we design smooth activation functions for components of wCL formulas that enable a continuous relaxation of the discrete search space and efficient learning of wCL formulas using gradient-based methods. Experiments on synthetic datasets manifest our model's ability to recover the ground-truth rules and improve computational efficiency. In addition, experiments on real-world datasets show that our models perform competitively when compared with state-of-the-art models.
Can We Faithfully Represent Absence States to Compute Shapley Values on a DNN?
Authors: Zhanpeng Zhou, Qirui Chen, Quanshi Zhang Jie Ren
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Masking some input variables of a deep neural network (DNN) and computing output changes on the masked input sample represent a typical way to compute attributions of input variables in the sample. People usually mask an input variable using its baseline value. However, there is no theory to examine whether baseline value faithfully represents the absence of an input variable, i.e., removing all signals from the input variable. Fortunately, recent studies (Ren et al., 2023a; Deng et al., 2022a) show that the inference score of a DNN can be strictly disentangled into a set of causal patterns (or concepts) encoded by the DNN. Therefore, we propose to use causal patterns to examine the faithfulness of baseline values. More crucially, it is proven that causal patterns can be explained as the elementary rationale of the Shapley value. Furthermore, we propose a method to learn optimal baseline values, and experimental results have demonstrated its effectiveness.
Bit-Pruning: A Sparse Multiplication-Less Dot-Product
Authors: Shingo Yashima Yusuke Sekikawa
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Dot-product is a central building block in neural networks.
However, multiplication ($\texttt{mult}$) in dot-product consumes intensive energy and space costs that challenge deployment on resource-constrained edge devices.
In this study, we realize energy-efficient neural networks by exploiting a $\texttt{mult}$-less, sparse dot-product. We first reformulate a dot-product between an integer weight and activation into an equivalent operation comprised of additions followed by bit-shifts ($\texttt{add-shift-add}$).
In this formulation, the number of $\texttt{add}$  operations equals the number of bits of the integer weight in binary format. 
Leveraging this observation, we propose Bit-Pruning, which removes unnecessary bits in each weight value during training to reduce the energy consumption of $\texttt{add-shift-add}$. Bit-Pruning can be seen as soft Weight-Pruning as it prunes bits, not the whole weight element.
In extensive experiments, we demonstrate that sparse $\texttt{mult}$-less networks trained with Bit-Pruning show a better accuracy-energy trade-off than sparse $\texttt{mult}$ networks trained with Weight-Pruning.
Confidence-Based Feature Imputation for Graphs with Partially Known Features
Authors: Jiwoong Park, Seulki Park, Jin young Choi Daeho Um
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: This paper investigates a missing feature imputation problem for graph learning tasks. Several methods have previously addressed learning tasks on graphs with missing features. However, in cases of high rates of missing features, they were unable to avoid significant performance degradation. To overcome this limitation, we introduce a novel concept of channel-wise confidence in a node feature, which is assigned to each imputed channel feature of a node for reflecting the certainty of the imputation. We then design pseudo-confidence using the channel-wise shortest path distance between a missing-feature node and its nearest known-feature node to replace unavailable true confidence in an actual learning process. Based on the pseudo-confidence, we propose a novel feature imputation scheme that performs channel-wise inter-node diffusion and node-wise inter-channel propagation. The scheme can endure even at an exceedingly high missing rate (e.g., 99.5\%) and it achieves state-of-the-art accuracy for both semi-supervised node classification and link prediction on various datasets containing a high rate of missing features. Codes are available at https://github.com/daehoum1/pcfi.
Backstepping Temporal Difference Learning
Authors: Donghwan Lee Han-Dong Lim
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract:  Off-policy learning ability is an important feature of reinforcement learning (RL) for practical applications. However, even one of the most elementary RL algorithms, temporal-difference (TD) learning, is known to suffer form divergence issue when the off-policy scheme is used together with linear function approximation. To overcome the divergent behavior, several off-policy TD learning algorithms have been developed until now. In this work, we provide a unified view of such algorithms from a purely control-theoretic perspective. Our method relies on the backstepping technique, which is widely used in nonlinear control theory.
VIP: Towards Universal Visual Reward and Representation via Value-Implicit Pre-Training
Authors: Shagun Sodhani, Dinesh Jayaraman, Osbert Bastani, Vikash Kumar, Amy Zhang Yecheng Jason Ma
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Reward and representation learning are two long-standing challenges for learning an expanding set of robot manipulation skills from sensory observations. Given the inherent cost and scarcity of in-domain, task-specific robot data, learning from large, diverse, offline human videos has emerged as a promising path towards acquiring a generally useful visual representation for control; however, how these human videos can be used for general-purpose reward learning remains an open question. We introduce $\textbf{V}$alue-$\textbf{I}$mplicit $\textbf{P}$re-training (VIP), a self-supervised pre-trained visual representation capable of generating dense and smooth reward functions for unseen robotic tasks. VIP casts representation learning from human videos as an offline goal-conditioned reinforcement learning problem and derives a self-supervised dual goal-conditioned value-function objective that does not depend on actions, enabling pre-training on unlabeled human videos. Theoretically, VIP can be understood as a novel implicit time contrastive objective that generates a temporally smooth embedding, enabling the value function to be implicitly defined via the embedding distance, which can then be used to construct the reward for any goal-image specified downstream task. Trained on large-scale Ego4D human videos and without any fine-tuning on in-domain, task-specific data, VIP can provide dense visual reward for an extensive set of simulated and $\textbf{real-robot}$ tasks, enabling diverse reward-based visual control methods and significantly outperforming all prior pre-trained representations. Notably, VIP can enable simple, few-shot offline RL on a suite of real-world robot tasks with as few as 20 trajectories.
HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing
Authors: Chengyue Gong, Daniel Jesus Diaz, Xuxi Chen, Jordan Tyler Wells, qiang liu, Zhangyang Wang, Andrew Ellington, Alex Dimakis, Adam Klivans Tianlong Chen
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The molecular basis of protein thermal stability is only partially understood and has major significance for drug and vaccine discovery.  The lack of datasets and standardized benchmarks considerably limits learning-based discovery methods. We present \texttt{HotProtein}, a large-scale protein dataset with \textit{growth temperature} annotations of thermostability, containing $182$K amino acid sequences and $3$K folded structures from $230$ different species with a wide temperature range $-20^{\circ}\texttt{C}\sim 120^{\circ}\texttt{C}$. Due to functional domain differences and data scarcity within each species, existing methods fail to generalize well on our dataset. We address this problem through a novel learning framework, consisting of ($1$) Protein structure-aware pre-training (SAP) which leverages 3D information to enhance sequence-based pre-training; ($2$) Factorized sparse tuning (FST) that utilizes low-rank and sparse priors as an implicit regularization, together with feature augmentations. Extensive empirical studies demonstrate that our framework improves thermostability prediction compared to other deep learning models. Finally, we introduce a novel editing algorithm to efficiently generate positive amino acid mutations that improve thermostability. Codes are available in https://github.com/VITA-Group/HotProtein.
Compressing multidimensional weather and climate data into neural networks
Authors: Torsten Hoefler Langwen Huang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Weather and climate simulations produce petabytes of high-resolution data that are later analyzed by researchers in order to understand climate change or severe weather. We propose a new method of compressing this multidimensional weather and climate data: a coordinate-based neural network is trained to overfit the data, and the resulting parameters are taken as a compact representation of the original grid-based data. While compression ratios range from 300x to more than 3,000x, our method outperforms the state-of-the-art compressor SZ3 in terms of weighted RMSE, MAE. It can faithfully preserve important large scale atmosphere structures and does not introduce significant artifacts.
When using the resulting neural network as a 790x compressed dataloader to train the WeatherBench forecasting model, its RMSE increases by less than 2%. The three orders of magnitude compression democratizes access to high-resolution climate data and enables numerous new research directions.
SoftZoo: A Soft Robot Co-design Benchmark For Locomotion In Diverse Environments
Authors: Pingchuan Ma, Andrew Everett Spielberg, Zhou Xian, Hao Zhang, Joshua B. Tenenbaum, Daniela Rus, Chuang Gan Tsun-Hsuan Wang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: While significant research progress has been made in robot learning for control, unique challenges arise when simultaneously co-optimizing morphology. Existing work has typically been tailored for particular environments or representations. In order to more fully understand inherent design and performance tradeoffs and accelerate the development of new breeds of soft robots, a comprehensive virtual platform — with well-established tasks, environments, and evaluation metrics — is needed. In this work, we introduce SoftZoo, a soft robot co-design platform for locomotion in diverse environments. SoftZoo supports an extensive, naturally-inspired material set, including the ability to simulate environments such as flat ground, desert, wetland, clay, ice, snow, shallow water, and ocean. Further, it provides a variety of tasks relevant for soft robotics, including fast locomotion, agile turning, and path following, as well as differentiable design representations for morphology and control. Combined, these elements form a feature-rich platform for analysis and development of soft robot co-design algorithms. We benchmark prevalent representations and co-design algorithms, and shed light on 1) the interplay between environment, morphology, and behavior (2) the importance of design space representations 3) the ambiguity in muscle formation and controller synthesis and 4) the value of differentiable physics. We envision that SoftZoo will serve as a standard platform and template an approach toward the development of novel representations and algorithms for co-designing soft robots’ behavioral and morphological intelligence. Demos are available on our project page.
Incremental Learning of Structured Memory via Closed-Loop Transcription
Authors: Xili Dai, Ziyang Wu, Mingyang Li, Brent Yi, Yi Ma Shengbang Tong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: This work proposes a minimal computational model for learning structured memories of multiple object classes in an incremental setting. Our approach is based on establishing a {\em closed-loop transcription} between the  classes and a corresponding set of subspaces, known as a linear discriminative representation, in a low-dimensional feature space. Our method is simpler than existing approaches for incremental learning, and more efficient in terms of model size, storage, and computation: it requires only a single, fixed-capacity autoencoding network with a feature space that is used for both discriminative and generative purposes. Network parameters are optimized simultaneously without architectural manipulations, by solving a constrained minimax game between the encoding and decoding maps over a single rate reduction-based objective. Experimental results show that our method can effectively alleviate catastrophic forgetting, achieving significantly better performance than prior work of generative replay on MNIST, CIFAR-10, and ImageNet-50, despite requiring fewer resources.
Context-enriched molecule representations improve few-shot drug discovery
Authors: Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer Johannes Schimunek
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A central task in computational drug discovery is to construct models from known active molecules to find further promising molecules for subsequent screening. However, typically only very few active molecules are known. Therefore, few-shot learning methods have the potential to improve the effectiveness of this critical phase of the drug discovery process. We introduce a new method for few-shot drug discovery. Its main idea is to enrich a molecule representation by knowledge about known context or reference molecules. Our novel concept for molecule representation enrichment is to associate molecules from both the support set and the query set with a large set of reference (context) molecules through a modern Hopfield network. Intuitively, this enrichment step is analogous to a human expert who would associate a given molecule with familiar molecules whose properties are known. The enrichment step reinforces and amplifies the covariance structure of the data, while simultaneously removing spurious correlations arising from the decoration of molecules. Our approach is compared with other few-shot methods for drug discovery on the FS-Mol benchmark dataset. On FS-Mol, our approach outperforms all compared methods and therefore sets a new state-of-the art for few-shot learning in drug discovery. An ablation study shows that the enrichment step of our method is the key to improve the predictive quality. In a domain shift experiment, we further demonstrate the robustness of our method.
Limitless Stability for Graph Convolutional Networks 
Authors: Christian Koke
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: This work establishes rigorous, novel and widely applicable stability guarantees and transferability bounds for general graph convolutional networks  -- without reference to any underlying limit object or statistical distribution. Crucially, utilized graph-shift operators are not necessarily assumed to be normal, allowing for the treatment of networks on both directed- and undirected graphs within the developed framework. In the undirected setting, stability to node-level perturbations is related to an 'adequate spectral covering' property of the filters in each layer. Stability to edge-level perturbations is discussed and related to properties of the utilized filters such as their Lipschitz constants. Results on stability to  vertex-set non-preserving perturbations are obtained by utilizing recently developed mathematical-physics based tools. As an exemplifying application of the developed theory, it is showcased that
general graph convolutional networks utilizing the un-normalized graph Laplacian as graph-shift-operator  can be rendered stable to collapsing strong edges in the underlying graph if filters are mandated to be constant at infinity. These theoretical results are supported by corresponding numerical investigations showcasing the response of filters and networks to such perturbations.
Code Translation with Compiler Representations
Authors: Baptiste Roziere, Hugh James Leather, Patrick Labatut, Francois Charton, Gabriel Synnaeve Marc Szafraniec
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: In this paper, we leverage low-level compiler intermediate representations (IR) code translation. Traditional transpilers rely on syntactic information and handcrafted rules, which limits their applicability and produces unnatural-looking code. Applying neural machine translation (NMT) approaches to code has successfully broadened the set of programs on which one can get a natural-looking translation. However, they treat the code as sequences of text tokens, and still do not differentiate well enough between similar pieces of code which have different semantics in different languages. The consequence is low quality translation, reducing the practicality of NMT, and stressing the need for an approach significantly increasing its accuracy. Here we propose to augment code translation with IRs, specifically LLVM IR, with results on the C++, Java, Rust, and Go languages. Our method improves upon the state of the art for unsupervised code translation, increasing the number of correct translations by 11% on average, and up to 79% for the Java → Rust pair with greedy decoding. With beam search, it increases the number of correct translations by 5.5% in average. We extend previous test sets for code translation, by adding hundreds of Go and Rust functions. Additionally, we train models with high performance on the problem of IR decompilation, generating programming source code from IR, and study using IRs as intermediary pivot for translation.
FLIP: A Provable Defense Framework for Backdoor Mitigation in Federated Learning
Authors: Guanhong Tao, Qiuling Xu, Siyuan Cheng, Shengwei An, Yingqi Liu, Shiwei Feng, Guangyu Shen, Pin-Yu Chen, Shiqing Ma, Xiangyu Zhang Kaiyuan Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Federated Learning (FL) is a distributed learning paradigm that enables different parties to train a model together for high quality and strong privacy protection. In this scenario, individual participants may get compromised and perform backdoor attacks by poisoning the data (or gradients). Existing work on robust aggregation and certified FL robustness does not study how hardening benign clients can affect the global model (and the malicious clients). In this work, we theoretically analyze the connection among cross-entropy loss, attack success rate, and clean accuracy in this setting. Moreover, we propose a trigger reverse engineering based defense and show that our method can achieve robustness improvement with guarantee (i.e., reducing the attack success rate) without affecting benign accuracy. We conduct comprehensive experiments across different datasets and attack settings. Our results on nine competing SOTA defense methods show the empirical superiority of our method on both single-shot and continuous FL backdoor attacks. Code is available at https://github.com/KaiyuanZh/FLIP.
Packed Ensembles for efficient uncertainty estimation
Authors: Adrien Lafage, Enzo Tartaglione, Geoffrey Daniel, Jean-marc Martinez, Andrei Bursuc, Gianni Franchi Olivier Laurent
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Deep Ensembles (DE) are a prominent approach for achieving excellent performance on key metrics such as accuracy, calibration, uncertainty estimation, and out-of-distribution detection. However, hardware limitations of real-world systems constrain to smaller ensembles and lower-capacity networks, significantly deteriorating their performance and properties. We introduce Packed-Ensembles (PE), a strategy to design and train lightweight structured ensembles by carefully modulating the dimension of their encoding space. We leverage grouped convolutions to parallelize the ensemble into a single shared backbone and forward pass to improve training and inference speeds. PE is designed to operate within the memory limits of a standard neural network. Our extensive research indicates that PE accurately preserves the properties of DE, such as diversity, and performs equally well in terms of accuracy, calibration, out-of-distribution detection, and robustness to distribution shift. We make our code available at https://github.com/ENSTA-U2IS/torch-uncertainty.