ICLR 2023 Papers

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 .

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

The recent advance of neural fields, such as neural radiance fields, has significantly pushed the boundary of scene representation learning. Aiming to boost the computation efficiency and rendering quality of 3D scenes, a popular line of research maps the 3D coordinate system to another measuring system, e.g., 2D manifolds and hash tables, for modeling neural fields. The conversion of coordinate systems can be typically dubbed as \emph{gauge transformation}, which is usually a pre-defined mapping function, e.g., orthogonal projection or spatial hash function. This begs a question: can we directly learn a desired gauge transformation along with the neural field in an end-to-end manner? In this work, we extend this problem to a general paradigm with a taxonomy of discrete and continuous cases, and develop an end-to-end learning framework to jointly optimize the gauge transformation and neural fields. To counter the problem that the learning of gauge transformations can collapse easily, we derive a general regularization mechanism from the principle of information conservation during the gauge transformation. To circumvent the high computation cost in gauge learning with regularization, we directly derive an information-invariant gauge transformation which allows to preserve scene information inherently and yield superior performance.

We present rectified flow, a simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions $\pi_0$ and $\pi_1$, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from $\pi_0$ and $\pi_1$ as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that, by learning a rectified flow from data, we effectively turn an arbitrary coupling of $\pi_0$ and $\pi_1$ to a new deterministic coupling with provably non-increasing convex transport costs. In addition, with a ``reflow" procedure that iteratively learns a new rectified flow from the data bootstrapped from the previous one, we obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with \emph{a single Euler discretization step}. Code is available at \url{https://github.com/gnobitab/RectifiedFlow}.

Neural image compression has surpassed state-of-the-art traditional codecs (H.266/VVC) for rate-distortion (RD) performance, but suffers from large complexity and separate models for different rate-distortion trade-offs. In this paper, we propose an Efficient single-model Variable-bit-rate Codec (EVC), which is able to run at 30 FPS with 768x512 input images and still outperforms VVC for the RD performance. By further reducing both encoder and decoder complexities, our small model even achieves 30 FPS with 1920x1080 input images. To bridge the performance gap between our different capacities models, we meticulously design the mask decay, which transforms the large model's parameters into the small model automatically. And a novel sparsity regularization loss is proposed to mitigate shortcomings of $L_p$ regularization. Our algorithm significantly narrows the performance gap by 50% and 30% for our medium and small models, respectively. At last, we advocate the scalable encoder for neural image compression. The encoding complexity is dynamic to meet different latency requirements. We propose decaying the large encoder multiple times to reduce the residual representation progressively. Both mask decay and residual representation learning greatly improve the RD performance of our scalable encoder. Our code is at https://github.com/microsoft/DCVC.