OpenRaiser/Intern-Atlas huggingface dataset:
DiT-3D: Exploring Plain Diffusion Transformers for 3D Shape Generation
Venue: Conference NeurIPS 2023
Year: 2023

Recent Diffusion Transformers (e.g., DiT) have demonstrated their powerful effectiveness in generating high-quality 2D images. However, it is still being determined whether the Transformer architecture performs equally well in 3D shape generation, as previous 3D diffusion methods mostly adopted the U-Net architecture. To bridge this gap, we propose a novel Diffusion Transformer for 3D shape generation, namely DiT-3D, which can directly operate the denoising process on voxelized point clouds using plain Transformers. Compared to existing U-Net approaches, our DiT-3D is more scalable in model size and produces much higher quality generations. Specifically, the DiT-3D adopts the design philosophy of DiT but modifies it by incorporating 3D positional and patch embeddings to adaptively aggregate input from voxelized point clouds. To reduce the computational cost of self-attention in 3D shape generation, we incorporate 3D window attention into Transformer blocks, as the increased 3D token length resulting from the additional dimension of voxels can lead to high computation. Finally, linear and devoxelization layers are used to predict the denoised point clouds. In addition, our transformer architecture supports efficient fine-tuning from 2D to 3D, where the pre-trained DiT-2D checkpoint on ImageNet can significantly improve DiT-3D on ShapeNet. Experimental results on the ShapeNet dataset demonstrate that the proposed DiT-3D achieves state-of-the-art performance in high-fidelity and diverse 3D point cloud generation. In particular, our DiT-3D decreases the 1-Nearest Neighbor Accuracy of the state-of-the-art method by 4.59 and increases the Coverage metric by 3.51 when evaluated on Chamfer Distance.
DESSERT: An Efficient Algorithm for Vector Set Search with Vector Set Queries
Venue: Conference NeurIPS 2023
Year: 2023

We study the problem of $\textit{vector set search}$ with $\textit{vector set queries}$. This task is analogous to traditional near-neighbor search, with the exception that both the query and each element in the collection are $\textit{sets}$ of vectors. We identify this problem as a core subroutine for semantic search applications and find that existing solutions are unacceptably slow. Towards this end, we present a new approximate search algorithm, DESSERT (${\bf D}$ESSERT ${\bf E}$ffeciently ${\bf S}$earches ${\bf S}$ets of ${\bf E}$mbeddings via ${\bf R}$etrieval ${\bf T}$ables). DESSERT is a general tool with strong theoretical guarantees and excellent empirical performance. When we integrate DESSERT into ColBERT, a state-of-the-art semantic search model, we find a 2-5x speedup on the MS MARCO and LoTTE retrieval benchmarks with minimal loss in recall, underscoring the effectiveness and practical applicability of our proposal.
Dynamic Sparsity Is Channel-Level Sparsity Learner
Venue: Conference NeurIPS 2023
Year: 2023

Sparse training has received an upsurging interest in machine learning due to its tantalizing saving potential for the entire training process as well as inference. Dynamic sparse training (DST), as a leading sparse training approach, can train deep neural networks at high sparsity from scratch to match the performance of their dense counterparts. However, most if not all DST prior arts demonstrate their effectiveness on unstructured sparsity with highly irregular sparse patterns, which receives limited support in common hardware. This limitation hinders the usage of DST in practice. In this paper, we propose Channel-aware dynamic sparse (Chase), which for the first time seamlessly translates the promise of unstructured dynamic sparsity to GPU-friendly channel-level sparsity (not fine-grained N:M or group sparsity) during one end-to-end training process, without any ad-hoc operations. The resulting small sparse networks can be directly accelerated by commodity hardware, without using any particularly sparsity-aware hardware accelerators. This appealing outcome is partially motivated by a hidden phenomenon of dynamic sparsity: off-the-shelf unstructured DST implicitly involves biased parameter reallocation across channels, with a large fraction of channels (up to 60%) being sparser than others. By progressively identifying and removing these channels during training, our approach translates unstructured sparsity to channel-wise sparsity. Our experimental results demonstrate that Chase achieves 1.7 X inference throughput speedup on common GPU devices without compromising accuracy with ResNet-50 on ImageNet. We release our codes in https://github.com/luuyin/chase.
Evaluating Self-Supervised Learning for Molecular Graph Embeddings
Venue: Conference NeurIPS 2023
Year: 2023

Graph Self-Supervised Learning (GSSL) provides a robust pathway for acquiring embeddings without expert labelling, a capability that carries profound implications for molecular graphs due to the staggering number of potential molecules and the high cost of obtaining labels. However, GSSL methods are designed not for optimisation within a specific domain but rather for transferability across a variety of downstream tasks. This broad applicability complicates their evaluation. Addressing this challenge, we present "Molecular Graph Representation Evaluation" (MOLGRAPHEVAL), generating detailed profiles of molecular graph embeddings with interpretable and diversified attributes. MOLGRAPHEVAL offers a suite of probing tasks grouped into three categories: (i) generic graph, (ii) molecular substructure, and (iii) embedding space properties. By leveraging MOLGRAPHEVAL to benchmark existing GSSL methods against both current downstream datasets and our suite of tasks, we uncover significant inconsistencies between inferences drawn solely from existing datasets and those derived from more nuanced probing. These findings suggest that current evaluation methodologies fail to capture the entirety of the landscape.
SEEDS: Exponential SDE Solvers for Fast High-Quality Sampling from Diffusion Models
Venue: Conference NeurIPS 2023
Year: 2023

A potent class of generative models known as Diffusion Probabilistic Models (DPMs) has become prominent. A forward diffusion process adds gradually noise to data, while a model learns to gradually denoise. Sampling from pre-trained DPMs is obtained by solving differential equations (DE) defined by the learnt model, a process which has shown to be prohibitively slow. Numerous efforts on speeding-up this process have consisted on crafting powerful ODE solvers. Despite being quick, such solvers do not usually reach the optimal quality achieved by available slow SDE solvers. Our goal is to propose SDE solvers that reach optimal quality without requiring several hundreds or thousands of NFEs to achieve that goal. We propose Stochastic Explicit Exponential Derivative-free Solvers (SEEDS), improving and generalizing Exponential Integrator approaches to the stochastic case on several frameworks. After carefully analyzing the formulation of exact solutions of diffusion SDEs, we craft SEEDS to analytically compute the linear part of such solutions. Inspired by the Exponential Time-Differencing method, SEEDS use a novel treatment of the stochastic components of solutions, enabling the analytical computation of their variance, and contains high-order terms allowing to reach optimal quality sampling $\sim3$-$5\times$ faster than previous SDE methods. We validate our approach on several image generation benchmarks, showing that SEEDS outperform or are competitive with previous SDE solvers. Contrary to the latter, SEEDS are derivative and training free, and we fully prove strong convergence guarantees for them.
Robust Multi-Agent Reinforcement Learning via Adversarial Regularization: Theoretical Foundation and Stable Algorithms
Venue: Conference NeurIPS 2023
Year: 2023

Multi-Agent Reinforcement Learning (MARL) has shown promising results across several domains. Despite this promise, MARL policies often lack robustness and are therefore sensitive to small changes in their environment. This presents a serious concern for the real world deployment of MARL algorithms, where the testing environment may slightly differ from the training environment. In this work we show that we can gain robustness by controlling a policy's Lipschitz constant, and under mild conditions, establish the existence of a Lipschitz and close-to-optimal policy. Based on these insights, we propose a new robust MARL framework, ERNIE, that promotes the Lipschitz continuity of the policies with respect to the state observations and actions by adversarial regularization. The ERNIE framework provides robustness against noisy observations, changing transition dynamics, and malicious actions of agents. However, ERNIE's adversarial regularization may introduce some training instability. To reduce this instability, we reformulate adversarial regularization as a Stackelberg game. We demonstrate the effectiveness of the proposed framework with extensive experiments in traffic light control and particle environments. In addition, we extend ERNIE to mean-field MARL with a formulation based on distributionally robust optimization that outperforms its non-robust counterpart and is of independent interest. Our code is available at https://github.com/abukharin3/ERNIE.
Private estimation algorithms for stochastic block models and mixture models
Venue: Conference NeurIPS 2023
Year: 2023

We introduce general tools for designing efficient private estimation algorithms, in the high-dimensional settings, whose statistical guarantees almost match those of the best known non-private algorithms. To illustrate our techniques, we consider two problems: recovery of stochastic block models and learning mixtures of spherical Gaussians. For the former, we present the first efficient $(ε, δ)$-differentially private algorithm for both weak recovery and exact recovery. Previously known algorithms achieving comparable guarantees required quasi-polynomial time. For the latter, we design an $(ε, δ)$-differentially private algorithm that recovers the centers of the $k$-mixture when the minimum separation is at least $ O(k^{1/t}\sqrt{t})$. For all choices of $t$, this algorithm requires sample complexity $n\geq k^{O(1)}d^{O(t)}$ and time complexity $(nd)^{O(t)}$. Prior work required minimum separation at least $O(\sqrt{k})$ as well as an explicit upper bound on the Euclidean norm of the centers.
Understanding and Improving Feature Learning for Out-of-Distribution Generalization
Venue: Conference NeurIPS 2023
Year: 2023

A common explanation for the failure of out-of-distribution (OOD) generalization is that the model trained with empirical risk minimization (ERM) learns spurious features instead of invariant features. However, several recent studies challenged this explanation and found that deep networks may have already learned sufficiently good features for OOD generalization. Despite the contradictions at first glance, we theoretically show that ERM essentially learns both spurious and invariant features, while ERM tends to learn spurious features faster if the spurious correlation is stronger. Moreover, when fed the ERM learned features to the OOD objectives, the invariant feature learning quality significantly affects the final OOD performance, as OOD objectives rarely learn new features. Therefore, ERM feature learning can be a bottleneck to OOD generalization. To alleviate the reliance, we propose Feature Augmented Training (FeAT), to enforce the model to learn richer features ready for OOD generalization. FeAT iteratively augments the model to learn new features while retaining the already learned features. In each round, the retention and augmentation operations are performed on different subsets of the training data that capture distinct features. Extensive experiments show that FeAT effectively learns richer features thus boosting the performance of various OOD objectives.
Train Hard, Fight Easy: Robust Meta Reinforcement Learning
Venue: Conference NeurIPS 2023
Year: 2023

A major challenge of reinforcement learning (RL) in real-world applications is the variation between environments, tasks or clients. Meta-RL (MRL) addresses this issue by learning a meta-policy that adapts to new tasks. Standard MRL methods optimize the average return over tasks, but often suffer from poor results in tasks of high risk or difficulty. This limits system reliability since test tasks are not known in advance. In this work, we define a robust MRL objective with a controlled robustness level. Optimization of analogous robust objectives in RL is known to lead to both *biased gradients* and *data inefficiency*. We prove that the gradient bias disappears in our proposed MRL framework. The data inefficiency is addressed via the novel Robust Meta RL algorithm (RoML). RoML is a meta-algorithm that generates a robust version of any given MRL algorithm, by identifying and over-sampling harder tasks throughout training. We demonstrate that RoML achieves robust returns on multiple navigation and continuous control benchmarks.
Towards Semi-Structured Automatic ICD Coding via Tree-based Contrastive Learning
Venue: Conference NeurIPS 2023
Year: 2023

Automatic coding of International Classification of Diseases (ICD) is a multi-label text categorization task that involves extracting disease or procedure codes from clinical notes. Despite the application of state-of-the-art natural language processing (NLP) techniques, there are still challenges including limited availability of data due to privacy constraints and the high variability of clinical notes caused by different writing habits of medical professionals and various pathological features of patients. In this work, we investigate the semi-structured nature of clinical notes and propose an automatic algorithm to segment them into sections. To address the variability issues in existing ICD coding models with limited data, we introduce a contrastive pre-training approach on sections using a soft multi-label similarity metric based on tree edit distance. Additionally, we design a masked section training strategy to enable ICD coding models to locate sections related to ICD codes. Extensive experimental results demonstrate that our proposed training strategies effectively enhance the performance of existing ICD coding methods.
OpenMask3D: Open-Vocabulary 3D Instance Segmentation
Venue: Conference NeurIPS 2023
Year: 2023

We introduce the task of open-vocabulary 3D instance segmentation. Current approaches for 3D instance segmentation can typically only recognize object categories from a pre-defined closed set of classes that are annotated in the training datasets. This results in important limitations for real-world applications where one might need to perform tasks guided by novel, open-vocabulary queries related to a wide variety of objects. Recently, open-vocabulary 3D scene understanding methods have emerged to address this problem by learning queryable features for each point in the scene. While such a representation can be directly employed to perform semantic segmentation, existing methods cannot separate multiple object instances. In this work, we address this limitation, and propose OpenMask3D, which is a zero-shot approach for open-vocabulary 3D instance segmentation. Guided by predicted class-agnostic 3D instance masks, our model aggregates per-mask features via multi-view fusion of CLIP-based image embeddings. Experiments and ablation studies on ScanNet200 and Replica show that OpenMask3D outperforms other open-vocabulary methods, especially on the long-tail distribution. Qualitative experiments further showcase OpenMask3D's ability to segment object properties based on free-form queries describing geometry, affordances, and materials.
Model-Based Reparameterization Policy Gradient Methods: Theory and Practical Algorithms
Venue: Conference NeurIPS 2023
Year: 2023

ReParameterization (RP) Policy Gradient Methods (PGMs) have been widely adopted for continuous control tasks in robotics and computer graphics. However, recent studies have revealed that, when applied to long-term reinforcement learning problems, model-based RP PGMs may experience chaotic and non-smooth optimization landscapes with exploding gradient variance, which leads to slow convergence. This is in contrast to the conventional belief that reparameterization methods have low gradient estimation variance in problems such as training deep generative models. To comprehend this phenomenon, we conduct a theoretical examination of model-based RP PGMs and search for solutions to the optimization difficulties. Specifically, we analyze the convergence of the model-based RP PGMs and pinpoint the smoothness of function approximators as a major factor that affects the quality of gradient estimation. Based on our analysis, we propose a spectral normalization method to mitigate the exploding variance issue caused by long model unrolls. Our experimental results demonstrate that proper normalization significantly reduces the gradient variance of model-based RP PGMs. As a result, the performance of the proposed method is comparable or superior to other gradient estimators, such as the Likelihood Ratio (LR) gradient estimator. Our code is available at https://github.com/agentification/RP_PGM.
Bitstream-Corrupted Video Recovery: A Novel Benchmark Dataset and Method
Venue: Conference NeurIPS 2023
Year: 2023

The past decade has witnessed great strides in video recovery by specialist technologies, like video inpainting, completion, and error concealment. However, they typically simulate the missing content by manual-designed error masks, thus failing to fill in the realistic video loss in video communication (e.g., telepresence, live streaming, and internet video) and multimedia forensics. To address this, we introduce the bitstream-corrupted video (BSCV) benchmark, the first benchmark dataset with more than 28,000 video clips, which can be used for bitstream-corrupted video recovery in the real world. The BSCV is a collection of 1) a proposed three-parameter corruption model for video bitstream, 2) a large-scale dataset containing rich error patterns, multiple corruption levels, and flexible dataset branches, and 3) a plug-and-play module in video recovery framework that serves as a benchmark. We evaluate state-of-the-art video inpainting methods on the BSCV dataset, demonstrating existing approaches' limitations and our framework's advantages in solving the bitstream-corrupted video recovery problem. The benchmark and dataset are released at https://github.com/LIUTIGHE/BSCV-Dataset.
Toolformer: Language Models Can Teach Themselves to Use Tools
Venue: Conference NeurIPS 2023
Year: 2023

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup, where much simpler and smaller models excel. In this paper, we show that LMs can teach themselves to use external tools via simple APIs and achieve the best of both worlds. We introduce Toolformer, a model trained to decide which APIs to call, when to call them, what arguments to pass, and how to best incorporate the results into future token prediction. This is done in a self-supervised way, requiring nothing more than a handful of demonstrations for each API. We incorporate a range of tools, including a calculator, a Q\&A system, two different search engines, a translation system, and a calendar. Toolformer achieves substantially improved zero-shot performance across a variety of downstream tasks, often competitive with much larger models, without sacrificing its core language modeling abilities.
The probability flow ODE is provably fast
Venue: Conference NeurIPS 2023
Year: 2023

We provide the first polynomial-time convergence guarantees for the probability flow ODE implementation (together with a corrector step) of score-based generative modeling. Our analysis is carried out in the wake of recent results obtaining such guarantees for the SDE-based implementation (i.e., denoising diffusion probabilistic modeling or DDPM), but requires the development of novel techniques for studying deterministic dynamics without contractivity. Through the use of a specially chosen corrector step based on the underdamped Langevin diffusion, we obtain better dimension dependence than prior works on DDPM ($O(\sqrt{d})$ vs. $O(d)$, assuming smoothness of the data distribution), highlighting potential advantages of the ODE framework.
Faster Discrete Convex Function Minimization with Predictions: The M-Convex Case
Venue: Conference NeurIPS 2023
Year: 2023

Recent years have seen a growing interest in accelerating optimization algorithms with machine-learned predictions. Sakaue and Oki (NeurIPS 2022) have developed a general framework that warm-starts the L-convex function minimization method with predictions, revealing the idea's usefulness for various discrete optimization problems. In this paper, we present a framework for using predictions to accelerate M-convex function minimization, thus complementing previous research and extending the range of discrete optimization algorithms that can benefit from predictions. Our framework is particularly effective for an important subclass called laminar convex minimization, which appears in many operations research applications. Our methods can improve time complexity bounds upon the best worst-case results by using predictions and even have potential to go beyond a lower-bound result.
Parallel Submodular Function Minimization
Venue: Conference NeurIPS 2023
Year: 2023

We consider the parallel complexity of submodular function minimization (SFM). We provide a pair of methods which obtain two new query versus depth trade-offs a submodular function defined on subsets of $n$ elements that has integer values between $-M$ and $M$. The first method has depth $2$ and query complexity $n^{O(M)}$ and the second method has depth $\widetilde{O}(n^{1/3} M^{2/3})$ and query complexity $O(\mathrm{poly}(n, M))$. Despite a line of work on improved parallel lower bounds for SFM, prior to our work the only known algorithms for parallel SFM either followed from more general methods for sequential SFM or highly-parallel minimization of convex $\ell_2$-Lipschitz functions. Interestingly, to obtain our second result we provide the first highly-parallel algorithm for minimizing $\ell_\infty$-Lipschitz function over the hypercube which obtains near-optimal depth for obtaining constant accuracy.
Emergent Communication for Rules Reasoning
Venue: Conference NeurIPS 2023
Year: 2023

Research on emergent communication between deep-learning-based agents has received extensive attention due to its inspiration for linguistics and artificial intelligence. However, previous attempts have hovered around emerging communication under perception-oriented environmental settings, that forces agents to describe low-level perceptual features intra image or symbol contexts. In this work, inspired by the classic human reasoning test (namely Raven's Progressive Matrix), we propose the Reasoning Game, a cognition-oriented environment that encourages agents to reason and communicate high-level rules, rather than perceived low-level contexts. Moreover, we propose 1) an unbiased dataset (namely rule-RAVEN) as a benchmark to avoid overfitting, 2) and a two-stage curriculum agent training method as a baseline for more stable convergence in the Reasoning Game, where contexts and semantics are bilaterally drifting. Experimental results show that, in the Reasoning Game, a semantically stable and compositional language emerges to solve reasoning problems. The emerged language helps agents apply the extracted rules to the generalization of unseen context attributes, and to the transfer between different context attributes or even tasks.