NeurIPS 2023 Papers

Synthesizing high-fidelity head avatars is a central problem for computer vision and graphics. While head avatar synthesis algorithms have advanced rapidly, the best ones still face great obstacles in real-world scenarios. One of the vital causes is the inadequate datasets -- 1) current public datasets can only support researchers to explore high-fidelity head avatars in one or two task directions; 2) these datasets usually contain digital head assets with limited data volume, and narrow distribution over different attributes, such as expressions, ages, and accessories. In this paper, we present RenderMe-360, a comprehensive 4D human head dataset to drive advance in head avatar algorithms across different scenarios. It contains massive data assets, with 243+ million complete head frames and over 800k video sequences from 500 different identities captured by multi-view cameras at 30 FPS. It is a large-scale digital library for head avatars with three key attributes: 1) High Fidelity: all subjects are captured in 360 degrees via 60 synchronized, high-resolution 2K cameras. 2) High Diversity: The collected subjects vary from different ages, eras, ethnicities, and cultures, providing abundant materials with distinctive styles in appearance and geometry. Moreover, each subject is asked to perform various dynamic motions, such as expressions and head rotations, which further extend the richness of assets. 3) Rich Annotations: the dataset provides annotations with different granularities: cameras' parameters, background matting, scan, 2D/3D facial landmarks, FLAME fitting, and text description. Based on the dataset, we build a comprehensive benchmark for head avatar research, with 16 state-of-the-art methods performed on five main tasks: novel view synthesis, novel expression synthesis, hair rendering, hair editing, and talking head generation. Our experiments uncover the strengths and flaws of state-of-the-art methods. RenderMe-360 opens the door for future exploration in modern head avatars. All of the data, code, and models will be publicly available at https://renderme-360.github.io/.

Neural network based computer vision systems are typically built on a backbone, a pretrained or randomly initialized feature extractor. Several years ago, the default option was an ImageNet-trained convolutional neural network. However, the recent past has seen the emergence of countless backbones pretrained using various algorithms and datasets. While this abundance of choice has led to performance increases for a range of systems, it is difficult for practitioners to make informed decisions about which backbone to choose. Battle of the Backbones (BoB) makes this choice easier by benchmarking a diverse suite of pretrained models, including vision-language models, those trained via self-supervised learning, and the Stable Diffusion backbone, across a diverse set of computer vision tasks ranging from classification to object detection to OOD generalization and more. Furthermore, BoB sheds light on promising directions for the research community to advance computer vision by illuminating strengths and weakness of existing approaches through a comprehensive analysis conducted on more than 1500 training runs. While vision transformers (ViTs) and self-supervised learning (SSL) are increasingly popular, we find that convolutional neural networks pretrained in a supervised fashion on large training sets still perform best on most tasks among the models we consider. Moreover, in apples-to-apples comparisons on the same architectures and similarly sized pretraining datasets, we find that SSL backbones are highly competitive, indicating that future works should perform SSL pretraining with advanced architectures and larger pretraining datasets. We release the raw results of our experiments along with code that allows researchers to put their own backbones through the gauntlet here: https://github.com/hsouri/Battle-of-the-Backbones.

Convolutional neural networks (CNNs) have recently emerged as promising models of the ventral visual stream, despite their lack of biological specificity. While current state-of-the-art models of the primary visual cortex (V1) have surfaced from training with adversarial examples and extensively augmented data, these models are still unable to explain key neural properties observed in V1 that arise from biological circuitry. To address this gap, we systematically incorporated neuroscience-derived architectural components into CNNs to identify a set of mechanisms and architectures that more comprehensively explain V1 activity. Upon enhancing task-driven CNNs with architectural components that simulate center-surround antagonism, local receptive fields, tuned normalization, and cortical magnification, we uncover models with latent representations that yield state-of-the-art explanation of V1 neural activity and tuning properties. Moreover, analyses of the learned parameters of these components and stimuli that maximally activate neurons of the evaluated networks provide support for their role in explaining neural properties of V1. Our results highlight an important advancement in the field of NeuroAI, as we systematically establish a set of architectural components that contribute to unprecedented explanation of V1. The neuroscience insights that could be gleaned from increasingly accurate in-silico models of the brain have the potential to greatly advance the fields of both neuroscience and artificial intelligence.

Program synthesis has been long studied with recent approaches focused on directly using the power of Large Language Models (LLMs) to generate code. Programming benchmarks, with curated synthesis problems and test-cases, are used to measure the performance of various LLMs on code synthesis. However, these test-cases can be limited in both quantity and quality for fully assessing the functional correctness of the generated code. Such limitation in the existing benchmarks begs the following question: In the era of LLMs, is the code generated really correct? To answer this, we propose EvalPlus – a code synthesis evaluation framework to rigorously benchmark the functional correctness of LLM-synthesized code. EvalPlus augments a given evaluation dataset with large amounts of test-cases newly produced by an automatic test input generator, powered by both LLM- and mutation-based strategies. While EvalPlus is general, we extend the test-cases of the popular HumanEval benchmark by 80x to build HumanEval+. Our extensive evaluation across 26 popular LLMs (e.g., GPT-4 and ChatGPT) demonstrates that HumanEval+ is able to catch significant amounts of previously undetected wrong code synthesized by LLMs, reducing the pass@k by up-to 19.3-28.9%. We also surprisingly found that test insufficiency can lead to mis-ranking. For example, both WizardCoder-CodeLlama and Phind-CodeLlama now outperform ChatGPT on HumanEval+, while none of them could on HumanEval. Our work not only indicates that prior popular code synthesis evaluation results do not accurately reflect the true performance of LLMs for code synthesis, but also opens up a new direction to improve such programming benchmarks through automated testing. We have open-sourced our tools, enhanced datasets as well as all LLM-generated code at https://github.com/evalplus/evalplus to facilitate and accelerate future LLM-for-code research.

Visual reasoning requires multimodal perception and commonsense cognition of the world. Recently, multiple vision-language models (VLMs) have been proposed with excellent commonsense reasoning ability in various domains. However, how to harness the collective power of these complementary VLMs is rarely explored. Existing methods like ensemble still struggle to aggregate these models with the desired higher-order communications. In this work, we propose Cola, a novel paradigm that coordinates multiple VLMs for visual reasoning. Our key insight is that a large language model (LLM) can efficiently coordinate multiple VLMs by facilitating natural language communication that leverages their distinct and complementary capabilities. Extensive experiments demonstrate that our instruction tuning variant, Cola-FT, achieves state-of-the-art performance on visual question answering (VQA), outside knowledge VQA, visual entailment, and visual spatial reasoning tasks. Moreover, we show that our in-context learning variant, Cola-Zero, exhibits competitive performance in zero and few-shot settings, without finetuning. Through systematic ablation studies and visualizations, we validate that a coordinator LLM indeed comprehends the instruction prompts as well as the separate functionalities of VLMs; it then coordinates them to enable impressive visual reasoning capabilities.

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper, rather than pursuing state-of-the-art performance, we aim to evaluate capabilities of LLMs in a wide range of tasks across the chemistry domain. We identify three key chemistry-related capabilities including understanding, reasoning and explaining to explore in LLMs and establish a benchmark containing eight chemistry tasks. Our analysis draws on widely recognized datasets facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Five LLMs (GPT-4,GPT-3.5, Davinci-003, Llama and Galactica) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. Our investigation found that GPT-4 outperformed other models and LLMs exhibit different competitive levels in eight chemistry tasks. In addition to the key findings from the comprehensive benchmark analysis, our work provides insights into the limitation of current LLMs and the impact of in-context learning settings on LLMs’ performance across various chemistry tasks. The code and datasets used in this study are available at https://github.com/ChemFoundationModels/ChemLLMBench.

The task of Visual Object Navigation (VON) involves an agent's ability to locate a particular object within a given scene. To successfully accomplish the VON task, two essential conditions must be fulfiled: 1) the user knows the name of the desired object; and 2) the user-specified object actually is present within the scene. To meet these conditions, a simulator can incorporate predefined object names and positions into the metadata of the scene. However, in real-world scenarios, it is often challenging to ensure that these conditions are always met. Humans in an unfamiliar environment may not know which objects are present in the scene, or they may mistakenly specify an object that is not actually present. Nevertheless, despite these challenges, humans may still have a demand for an object, which could potentially be fulfilled by other objects present within the scene in an equivalent manner. Hence, this paper proposes Demand-driven Navigation (DDN), which leverages the user's demand as the task instruction and prompts the agent to find an object which matches the specified demand. DDN aims to relax the stringent conditions of VON by focusing on fulfilling the user's demand rather than relying solely on specified object names. This paper proposes a method of acquiring textual attribute features of objects by extracting common sense knowledge from a large language model (LLM). These textual attribute features are subsequently aligned with visual attribute features using Contrastive Language-Image Pre-training (CLIP). Incorporating the visual attribute features as prior knowledge, enhances the navigation process. Experiments on AI2Thor with the ProcThor dataset demonstrate that the visual attribute features improve the agent's navigation performance and outperform the baseline methods commonly used in the VON and VLN task and methods with LLMs. The codes and demonstrations can be viewed at https://sites.google.com/view/demand-driven-navigation.

Equivariance has gained strong interest as a desirable network property that inherently ensures robust generalization. However, when dealing with complex systems such as articulated objects or multi-object scenes, effectively capturing inter-part transformations poses a challenge, as it becomes entangled with the overall structure and local transformations. The interdependence of part assignment and per-part group action necessitates a novel equivariance formulation that allows for their co-evolution. In this paper, we present Banana, a Banach fixed-point network for equivariant segmentation with inter-part equivariance by construction. Our key insight is to iteratively solve a fixed-point problem, where point-part assignment labels and per-part SE(3)-equivariance co-evolve simultaneously. We provide theoretical derivations of both per-step equivariance and global convergence, which induces an equivariant final convergent state. Our formulation naturally provides a strict definition of inter-part equivariance that generalizes to unseen inter-part configurations. Through experiments conducted on both articulated objects and multi-object scans, we demonstrate the efficacy of our approach in achieving strong generalization under inter-part transformations, even when confronted with substantial changes in pointcloud geometry and topology.

Modern language models excel at integrating across long temporal scales needed to encode linguistic meaning and show non-trivial similarities to biological neural systems. Prior work suggests that human brain responses to language exhibit hierarchically organized "integration windows" that substantially constrain the overall influence of an input token (e.g., a word) on the neural response. However, little prior work has attempted to use integration windows to characterize computations in large language models (LLMs). We developed a simple word-swap procedure for estimating integration windows from black-box language models that does not depend on access to gradients or knowledge of the model architecture (e.g., attention weights). Using this method, we show that trained LLMs exhibit stereotyped integration windows that are well-fit by a convex combination of an exponential and a power-law function, with a partial transition from exponential to power-law dynamics across network layers. We then introduce a metric for quantifying the extent to which these integration windows vary with structural boundaries (e.g., sentence boundaries), and using this metric, we show that integration windows become increasingly yoked to structure at later network layers. None of these findings were observed in an untrained model, which as expected integrated uniformly across its input. These results suggest that LLMs learn to integrate information in natural language using a stereotyped pattern: integrating across position-yoked, exponential windows at early layers, followed by structure-yoked, power-law windows at later layers. The methods we describe in this paper provide a general-purpose toolkit for understanding temporal integration in language models, facilitating cross-disciplinary research at the intersection of biological and artificial intelligence.

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a large multiple sequence alignment (MSA) from the specific family of interest, making them unable to benefit from transfer learning across families. To address this, we propose **P**r**o**tein **E**volutionary **T**ransformer (PoET), an autoregressive generative model of whole protein families that learns to generate sets of related proteins as sequences-of-sequences across tens of millions of natural protein sequence clusters. PoET can be used as a retrieval-augmented language model to generate and score arbitrary modifications conditioned on any protein family of interest, and can extrapolate from short context lengths to generalize well even for small families. This is enabled by a unique Transformer layer; we model tokens sequentially within sequences while attending between sequences order invariantly, allowing PoET to scale to context lengths beyond those used during training. In extensive experiments on deep mutational scanning datasets, we show that PoET outperforms existing protein language models and evolutionary sequence models for variant function prediction across proteins of all MSA depths. We also demonstrate PoET's ability to controllably generate new protein sequences.

Goal-conditioned reinforcement learning (RL) is a powerful approach for learning general-purpose skills by reaching diverse goals. However, it has limitations when it comes to task-conditioned policies, where goals are specified by temporally extended instructions written in the Linear Temporal Logic (LTL) formal language. Existing approaches for finding LTL-satisfying policies rely on sampling a large set of LTL instructions during training to adapt to unseen tasks at inference time. However, these approaches do not guarantee generalization to out-of-distribution LTL objectives, which may have increased complexity. In this paper, we propose a novel approach to address this challenge. We show that simple goal-conditioned RL agents can be instructed to follow arbitrary LTL specifications without additional training over the LTL task space. Unlike existing approaches that focus on LTL specifications expressible as regular expressions, our technique is unrestricted and generalizes to $\omega$-regular expressions. Experiment results demonstrate the effectiveness of our approach in adapting goal-conditioned RL agents to satisfy complex temporal logic task specifications zero-shot.

Symbolic regression (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pre-trained transformer models in generating equations as sequences, leveraging large-scale pre-training on synthetic datasets and offering notable advantages in terms of inference time over classical Genetic Programming (GP) methods. However, these models primarily rely on supervised pre-training objectives borrowed from text generation and overlook equation discovery goals like accuracy and complexity. To address this, we propose TPSR, a Transformer-based Planning strategy for Symbolic Regression that incorporates Monte Carlo Tree Search planning algorithm into the transformer decoding process. Unlike conventional decoding strategies, TPSR enables the integration of non-differentiable equation verification feedback, such as fitting accuracy and complexity, as external sources of knowledge into the transformer equation generation process. Extensive experiments on various datasets show that our approach outperforms state-of-the-art methods, enhancing the model's fitting-complexity trade-off, extrapolation abilities, and robustness to noise.

Offline reinforcement learning (RL) aims to learn optimal policies from offline datasets, where the parameterization of policies is crucial but often overlooked. Recently, Diffsuion-QL significantly boosts the performance of offline RL by representing a policy with a diffusion model, whose success relies on a parametrized Markov Chain with hundreds of steps for sampling. However, Diffusion-QL suffers from two critical limitations. 1) It is computationally inefficient to forward and backward through the whole Markov chain during training. 2) It is incompatible with maximum likelihood-based RL algorithms (e.g., policy gradient methods) as the likelihood of diffusion models is intractable. Therefore, we propose efficient diffusion policy (EDP) to overcome these two challenges. EDP approximately constructs actions from corrupted ones at training to avoid running the sampling chain. We conduct extensive experiments on the D4RL benchmark. The results show that EDP can reduce the diffusion policy training time from 5 days to 5 hours on gym-locomotion tasks. Moreover, we show that EDP is compatible with various offline RL algorithms (TD3, CRR, and IQL) and achieves new state-of-the-art on D4RL by large margins over previous methods.

Task arithmetic has recently emerged as a cost-effective and scalable approach to edit pre-trained models directly in weight space: By adding the fine-tuned weights of different tasks, the model's performance can be improved on these tasks, while negating them leads to task forgetting. Yet, our understanding of the effectiveness of task arithmetic and its underlying principles remains limited. We present a comprehensive study of task arithmetic in vision-language models and show that weight disentanglement is the crucial factor that makes it effective. This property arises during pre-training and manifests when distinct directions in weight space govern separate, localized regions in function space associated with the tasks. Notably, we show that fine-tuning models in their tangent space by linearizing them amplifies weight disentanglement. This leads to substantial performance improvements across multiple task arithmetic benchmarks and diverse models. Building on these findings, we provide theoretical and empirical analyses of the neural tangent kernel (NTK) of these models and establish a compelling link between task arithmetic and the spatial localization of the NTK eigenfunctions. Overall, our work uncovers novel insights into the fundamental mechanisms of task arithmetic and offers a more reliable and effective approach to edit pre-trained models through the NTK linearization.