Technology
The Well: a Large-Scale Collection of Diverse Physics Simulations for Machine Learning
Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well.
FreqBlender: Enhancing DeepFake Detection by Blending Frequency Knowledge
Generating synthetic fake faces, known as pseudo-fake faces, is an effective way to improve the generalization of DeepFake detection. Existing methods typically generate these faces by blending real or fake faces in spatial domain. While these methods have shown promise, they overlook the simulation of frequency distribution in pseudo-fake faces, limiting the learning of generic forgery traces in-depth. To address this, this paper introduces {\em FreqBlender}, a new method that can generate pseudo-fake faces by blending frequency knowledge. Concretely, we investigate the major frequency components and propose a Frequency Parsing Network to adaptively partition frequency components related to forgery traces. Then we blend this frequency knowledge from fake faces into real faces to generate pseudo-fake faces. Since there is no ground truth for frequency components, we describe a dedicated training strategy by leveraging the inner correlations among different frequency knowledge to instruct the learning process. Experimental results demonstrate the effectiveness of our method in enhancing DeepFake detection, making it a potential plug-and-play strategy for other methods.
Poisson Variational Autoencoder
Variational autoencoders (VAE) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their success, traditional VAEs rely on continuous latent variables, which significantly deviates from the discrete nature of biological neurons. Here, we developed the Poisson VAE (P-VAE), a novel architecture that combines principles of predictive coding with a VAE that encodes inputs into discrete spike counts. Combining Poisson-distributed latent variables with predictive coding introduces a metabolic cost term in the model loss function, suggesting a relationship with sparse coding which we verify empirically. Additionally, we analyze the geometry of learned representations, contrasting the P-VAE to alternative VAE models. We find that the P-VAE encodes its inputs in relatively higher dimensions, facilitating linear separability of categories in a downstream classification task with a much better (5x) sample efficiency. Our work provides an interpretable computational framework to study brain-like sensory processing and paves the way for a deeper understanding of perception as an inferential process.
Meta-DT: Offline Meta-RL as Conditional Sequence Modeling with World Model Disentanglement
A longstanding goal of artificial general intelligence is highly capable generalists that can learn from diverse experiences and generalize to unseen tasks. The language and vision communities have seen remarkable progress toward this trend by scaling up transformer-based models trained on massive datasets, while reinforcement learning (RL) agents still suffer from poor generalization capacity under such paradigms. To tackle this challenge, we propose Meta Decision Transformer (Meta-DT), which leverages the sequential modeling ability of the transformer architecture and robust task representation learning via world model disentanglement to achieve efficient generalization in offline meta-RL. We pretrain a context-aware world model to learn a compact task representation, and inject it as a contextual condition to the causal transformer to guide task-oriented sequence generation. Then, we subtly utilize history trajectories generated by the meta-policy as a self-guided prompt to exploit the architectural inductive bias. We select the trajectory segment that yields the largest prediction error on the pretrained world model to construct the prompt, aiming to encode task-specific information complementary to the world model maximally. Notably, the proposed framework eliminates the requirement of any expert demonstration or domain knowledge at test time. Experimental results on MuJoCo and Meta-World benchmarks across various dataset types show that Meta-DT exhibits superior few and zero-shot generalization capacity compared to strong baselines while being more practical with fewer prerequisites. Our code is available at https://github.com/NJU-RL/Meta-DT.
Improving Certified Robustness via Statistical Learning with Logical Reasoning
Intensive algorithmic efforts have been made to enable the rapid improvements of certificated robustness for complex ML models recently. However, current robustness certification methods are only able to certify under a limited perturbation radius. Given that existing pure data-driven statistical approaches have reached a bottleneck, in this paper, we propose to integrate statistical ML models with knowledge (expressed as logical rules) as a reasoning component using Markov logic networks (MLN), so as to further improve the overall certified robustness. This opens new research questions about certifying the robustness of such a paradigm, especially the reasoning component (e.g., MLN). As the first step towards understanding these questions, we first prove that the computational complexity of certifying the robustness of MLN is #P-hard. Guided by this hardness result, we then derive the first certified robustness bound for MLN by carefully analyzing different model regimes. Finally, we conduct extensive experiments on five datasets including both high-dimensional images and natural language texts, and we show that the certified robustness with knowledge-based logical reasoning indeed significantly outperforms that of the state-of-the-arts.
Be Confident in What You Know: Bayesian Parameter Efficient Fine-Tuning of Vision Foundation Models
Large transformer-based foundation models have been commonly used as pre-trained models that can be adapted to different challenging datasets and settings with state-of-the-art generalization performance. Parameter efficient fine-tuning ($\texttt{PEFT}$) provides promising generalization performance in adaptation while incurring minimum computational overhead. However, adaptation of these foundation models through $\texttt{PEFT}$ leads to accurate but severely underconfident models, especially in few-shot learning settings. Moreover, the adapted models lack accurate fine-grained uncertainty quantification capabilities limiting their broader applicability in critical domains. To fill out this critical gap, we develop a novel lightweight {Bayesian Parameter Efficient Fine-Tuning} (referred to as $\texttt{Bayesian-PEFT}$) framework for large transformer-based foundation models. The framework integrates state-of-the-art $\texttt{PEFT}$ techniques with two Bayesian components to address the under-confidence issue while ensuring reliable prediction under challenging few-shot settings. The first component performs base rate adjustment to strengthen the prior belief corresponding to the knowledge gained through pre-training, making the model more confident in its predictions; the second component builds an evidential ensemble that leverages belief regularization to ensure diversity among different ensemble components.Our thorough theoretical analysis justifies that the Bayesian components can ensure reliable and accurate few-shot adaptations with well-calibrated uncertainty quantification. Extensive experiments across diverse datasets, few-shot learning scenarios, and multiple $\texttt{PEFT}$ techniques demonstrate the outstanding prediction and calibration performance by $\texttt{Bayesian-PEFT}$.
Referring Human Pose and Mask Estimation In the Wild
We introduce Referring Human Pose and Mask Estimation (R-HPM) in the wild, where either a text or positional prompt specifies the person of interest in an image. This new task holds significant potential for human-centric applications such as assistive robotics and sports analysis. In contrast to previous works, R-HPM (i) ensures high-quality, identity-aware results corresponding to the referred person, and (ii) simultaneously predicts human pose and mask for a comprehensive representation. To achieve this, we introduce a large-scale dataset named RefHuman, which substantially extends the MS COCO dataset with additional text and positional prompt annotations. RefHuman includes over 50,000 annotated instances in the wild, each equipped with keypoint, mask, and prompt annotations. To enable prompt-conditioned estimation, we propose the first end-to-end promptable approach named UniPHD for R-HPM. UniPHD extracts multimodal representations and employs a proposed pose-centric hierarchical decoder to process (text or positional) instance queries and keypoint queries, producing results specific to the referred person. Extensive experiments demonstrate that UniPHD produces quality results based on user-friendly prompts and achieves top-tier performance on RefHuman val and MS COCO val2017.
Is Programming by Example Solved by LLMs?
Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples.Such systems are practically and theoretically important:from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference.Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have solved PBE.We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data.We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution.We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization.Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.
Aligning Individual and Collective Objectives in Multi-Agent Cooperation
Among the research topics in multi-agent learning, mixed-motive cooperation is one of the most prominent challenges, primarily due to the mismatch between individual and collective goals. The cutting-edge research is focused on incorporating domain knowledge into rewards and introducing additional mechanisms to incentivize cooperation. However, these approaches often face shortcomings such as the effort on manual design and the absence of theoretical groundings. To close this gap, we model the mixed-motive game as a differentiable game for the ease of illuminating the learning dynamics towards cooperation. More detailed, we introduce a novel optimization method named \textbf{\textit{A}}ltruistic \textbf{\textit{G}}radient \textbf{\textit{A}}djustment (\textbf{\textit{AgA}}) that employs gradient adjustments to progressively align individual and collective objectives. Furthermore, we theoretically prove that AgA effectively attracts gradients to stable fixed points of the collective objective while considering individual interests, and we validate these claims with empirical evidence. We evaluate the effectiveness of our algorithm AgA through benchmark environments for testing mixed-motive collaboration with small-scale agents such as the two-player public good game and the sequential social dilemma games, Cleanup and Harvest, as well as our self-developed large-scale environment in the game StarCraft II.