When writing programs, people have the ability to tackle a new complex task by decomposing it into smaller and more familiar subtasks. While it is difficult to measure whether neural program synthesis methods have similar capabilities, we can measure whether they compositionally generalize, that is, whether a model that has been trained on the simpler subtasks is subsequently able to solve more complex tasks. In this paper, we characterize several different forms of compositional generalization that are desirable in program synthesis, forming a meta-benchmark which we use to create generalization tasks for two popular datasets, RobustFill and DeepCoder. We then propose ExeDec, a novel decomposition-based synthesis strategy that predicts execution subgoals to solve problems step-by-step informed by program execution at each step. When used with Transformer models trained from scratch, ExeDec has better synthesis performance and greatly improved compositional generalization ability compared to baselines. Finally, we use our benchmarks to demonstrate that LLMs struggle to compositionally generalize when asked to do programming-by-example in a few-shot setting, but an ExeDec-style prompting approach can improve the generalization ability and overall performance.
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In many neural networks, different values of the parameters may result in the same loss value. Parameter space symmetries are loss-invariant transformations that change the model parameters. Teleportation applies such transformations to accelerate optimization. However, the exact mechanism behind this algorithm's success is not well understood. In this paper, we show that teleportation not only speeds up optimization in the short-term, but gives overall faster time to convergence. Additionally, teleporting to minima with different curvatures improves generalization, which suggests a connection between the curvature of the minimum and generalization ability. Finally, we show that integrating teleportation into a wide range of optimization algorithms and optimization-based meta-learning improves convergence. Our results showcase the versatility of teleportation and demonstrate the potential of incorporating symmetry in optimization.
Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We empirically evaluate these claims through thousands of model evaluations on several tabular datasets. We find that the fairness-accuracy Pareto frontier achieved by postprocessing contains all other methods we were feasibly able to evaluate. In doing so, we address two common methodological errors that have confounded previous observations. One relates to the comparison of methods with different unconstrained base models. The other concerns methods achieving different levels of constraint relaxation. At the heart of our study is a simple idea we call unprocessing that roughly corresponds to the inverse of postprocessing. Unprocessing allows for a direct comparison of methods using different underlying models and levels of relaxation.
Large Language Models (LLMs) with billions of parameters have drastically transformed AI applications. However, their demanding computation during inference has raised significant challenges for deployment on resource-constrained devices. Despite recent trends favoring alternative activation functions such as GELU or SiLU, known for increased computation, this study strongly advocates for reinstating ReLU activation in LLMs. We demonstrate that using the ReLU activation function has a negligible impact on convergence and performance while significantly reducing computation and weight transfer. This reduction is particularly valuable during the memory-bound inference step, where efficiency is paramount. Exploring sparsity patterns in ReLU-based LLMs, we unveil the reutilization of activated neurons for generating new tokens and leveraging these insights, we propose practical strategies to substantially reduce LLM inference computation up to three times, using ReLU activations with minimal performance trade-offs.
It has long been hypothesised that causal reasoning plays a fundamental role in robust and general intelligence. However, it is not known if agents must learn causal models in order to generalise to new domains, or if other inductive biases are sufficient. We answer this question, showing that any agent capable of satisfying a regret bound for a large set of distributional shifts must have learned an approximate causal model of the data generating process, which converges to the true causal model for optimal agents. We discuss the implications of this result for several research areas including transfer learning and causal inference.
Deep Learning · Generative Models and Autoencoders
Video editing and generation methods often rely on pre-trained image-based diffusion models. During the diffusion process, however, the reliance on rudimentary noise sampling techniques that do not preserve correlations present in subsequent frames of a video is detrimental to the quality of the results. This either produces high-frequency flickering, or texture-sticking artifacts that are not amenable to post-processing. With this in mind, we propose a novel method for preserving temporal correlations in a sequence of noise samples. This approach is materialized by a novel noise representation, dubbed $\int$-noise (integral noise), that reinterprets individual noise samples as a continuously integrated noise field: pixel values do not represent discrete values, but are rather the integral of an underlying infinite-resolution noise over the pixel area. Additionally, we propose a carefully tailored transport method that uses $\int$-noise to accurately advect noise samples over a sequence of frames, maximizing the correlation between different frames while also preserving the noise properties. Our results demonstrate that the proposed $\int$-noise can be used for a variety of tasks, such as video restoration, surrogate rendering, and conditional video generation.
Generative models trained on internet data have revolutionized how text, image, and video content can be created. Perhaps the next milestone for generative models is to simulate realistic experience in response to actions taken by humans, robots, and other interactive agents. Applications of a real-world simulator range from controllable content creation in games and movies, to training embodied agents purely in simulation that can be directly deployed in the real world. We explore the possibility of learning a universal simulator (UniSim) of real-world interaction through generative modeling. We first make the important observation that natural datasets available for learning a real-world simulator are often rich along different axes (e.g., abundant objects in image data, densely sampled actions in robotics data, and diverse movements in navigation data). With careful orchestration of diverse datasets, each providing a different aspect of the overall experience, UniSim can emulate how humans and agents interact with the world by simulating the visual outcome of both high-level instructions such as “open the drawer” and low-level controls such as “move by x,y” from otherwise static scenes and objects. There are numerous use cases for such a real-world simulator. As an example, we use UniSim to train both high-level vision-language planners and low-level reinforcement learning policies, each of which exhibit zero-shot real-world transfer after training purely in a learned real-world simulator. We also show that other types of intelligence such as video captioning models can benefit from training with simulated experience in UniSim, opening up even wider applications.
Applications · Computer Vision
We propose the first Large Reconstruction Model (LRM) that predicts the 3D model of an object from a single input image within just 5 seconds. In contrast to many previous methods that are trained on small-scale datasets such as ShapeNet in a category-specific fashion, LRM adopts a highly scalable transformer-based architecture with 500 million learnable parameters to directly predict a neural radiance field (NeRF) from the input image. We train our model in an end-to-end manner on massive multi-view data containing around 1 million objects, including both synthetic renderings from Objaverse and real captures from MVImgNet. This combination of a high-capacity model and large-scale training data empowers our model to be highly generalizable and produce high-quality 3D reconstructions from various testing inputs, including real-world in-the-wild captures and images created by generative models. Video demos and interactable 3D meshes can be found on our LRM project webpage: https://yiconghong.me/LRM.
Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it. In this work, we introduce a novel generative modeling framework grounded in \textbf{phase space dynamics}, where a phase space is defined as {an augmented space encompassing both position and velocity.} Leveraging insights from Stochastic Optimal Control, we construct a path measure in the phase space that enables efficient sampling. {In contrast to DMs, our framework demonstrates the capability to generate realistic data points at an early stage of dynamics propagation.} This early prediction sets the stage for efficient data generation by leveraging additional velocity information along the trajectory. On standard image generation benchmarks, our model yields favorable performance over baselines in the regime of small Number of Function Evaluations (NFEs). Furthermore, our approach rivals the performance of diffusion models equipped with efficient sampling techniques, underscoring its potential as a new tool generative modeling.
With the ever-increasing number of pretrained models, machine learning practitioners are continuously faced with which pretrained model to use, and how to finetune it for a new dataset. In this paper, we propose a methodology that jointly searches for the optimal pretrained model and the hyperparameters for finetuning it. Our method transfers knowledge about the performance of many pretrained models with multiple hyperparameter configurations on a series of datasets. To this aim, we evaluated over 20k hyperparameter configurations for finetuning 24 pretrained image classification models on 87 datasets to generate a large-scale meta-dataset. We meta-learn a gray-box performance predictor on the learning curves of this meta-dataset and use it for fast hyperparameter optimization on new datasets. We empirically demonstrate that our resulting approach can quickly select an accurate pretrained model for a new dataset together with its optimal hyperparameters.
In this study, we introduce adaptive KV cache compression, a plug-and-play method that reduces the memory footprint of generative inference for Large Language Models (LLMs). Different from the conventional KV cache that retains key and value vectors for all context tokens, we conduct targeted profiling to discern the intrinsic structure of attention modules. Based on the recognized structure, we then construct the KV cache in an adaptive manner: evicting long-range contexts on attention heads emphasizing local contexts, discarding non-special tokens on attention heads centered on special tokens, and only employing the standard KV cache for attention heads that broadly attend to all tokens. Moreover, with the lightweight attention profiling used to guide the construction of the adaptive KV cache, FastGen can be deployed without resource-intensive fine-tuning or re-training. In our experiments across various asks, FastGen demonstrates substantial reduction on GPU memory consumption with negligible generation quality loss. We will release our code and the compatible CUDA kernel for reproducibility.
$K$-means clustering is a widely used machine learning method for identifying patterns in large datasets. Recently, semidefinite programming (SDP) relaxations have been proposed for solving the $K$-means optimization problem, which enjoy strong statistical optimality guarantees. However, the prohibitive cost of implementing an SDP solver renders these guarantees inaccessible to practical datasets. In contrast, nonnegative matrix factorization (NMF) is a simple clustering algorithm widely used by machine learning practitioners, but it lacks a solid statistical underpinning and theoretical guarantees. In this paper, we consider an NMF-like algorithm that solves a nonnegative low-rank restriction of the SDP-relaxed $K$-means formulation using a nonconvex Burer--Monteiro factorization approach. The resulting algorithm is as simple and scalable as state-of-the-art NMF algorithms while also enjoying the same strong statistical optimality guarantees as the SDP. In our experiments, we observe that our algorithm achieves significantly smaller mis-clustering errors compared to the existing state-of-the-art while maintaining scalability.
Applications · Time Series
Climate and weather prediction traditionally relies on complex numerical simulations of atmospheric physics. Deep learning approaches, such as transformers, have recently challenged the simulation paradigm with complex network forecasts. However, they often act as data-driven black-box models that neglect the underlying physics and lack uncertainty quantification. We address these limitations with ClimODE, a spatiotemporal continuous-time process that implements a key principle of advection from statistical mechanics, namely, weather changes due to a spatial movement of quantities over time. ClimODE models precise weather evolution with value-conserving dynamics, learning global weather transport as a neural flow, which also enables estimating the uncertainty in predictions. Our approach outperforms existing data-driven methods in global and regional forecasting with an order of magnitude smaller parameterization, establishing a new state of the art.
Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on the other hand, the field is currently hampered by a gap between theory and practice leaving fundamental questions unanswered: Can data-related and model-related uncertainty really be separated in practice? Which components of an uncertainty method are essential for real-world performance? Which uncertainty method works well for which application? In this work, we link this research gap to a lack of systematic and comprehensive evaluation of uncertainty methods. Specifically, we identify three key pitfalls in current literature and present an evaluation framework that bridges the research gap by providing 1) a controlled environment for studying data ambiguities as well as distribution shifts, 2) systematic ablations of relevant method components, and 3) test-beds for the five predominant uncertainty applications: OoD-detection, active learning, failure detection, calibration, and ambiguity modeling. Empirical results on simulated as well as real-world data demonstrate how the proposed framework is able to answer the predominant questions in the field revealing for instance that 1) separation of uncertainty types works on simulated data but does not necessarily translate to real-world data, 2) aggregation of scores is a crucial but currently neglected component of uncertainty methods, 3) While ensembles are performing most robustly across the different downstream tasks and settings, test-time augmentation often constitutes a light-weight alternative. Code is at: https://github.com/IML-DKFZ/values
Low-Rank Adaptation (LoRA) has recently gained attention for fine-tuning foundation models by incorporating trainable low-rank matrices, thereby reducing the number of trainable parameters. While \lora/ offers numerous advantages, its applicability for real-time serving to a diverse and global user base is constrained by its incapability to handle multiple task-specific adapters efficiently. This imposes a performance bottleneck in scenarios requiring personalized, task-specific adaptations for each incoming request.To address this, we introduce FLoRA (Fast LoRA), a framework in which each input example in a minibatch can be associated with its unique low-rank adaptation weights, allowing for efficient batching of heterogeneous requests. We empirically demonstrate that \flora/ retains the performance merits of \lora/, showcasing competitive results on the MultiPL-E code generation benchmark spanning over 8 languages and a multilingual speech recognition task across 6 languages.
We resolve difficulties in training and sampling from a discrete generative model by learning a smoothed energy function, sampling from the smoothed data manifold with Langevin Markov chain Monte Carlo (MCMC), and projecting back to the true data manifold with one-step denoising. Our $\textit{Discrete Walk-Jump Sampling}$ formalism combines the contrastive divergence training of an energy-based model and improved sample quality of a score-based model, while simplifying training and sampling by requiring only a single noise level. We evaluate the robustness of our approach on generative modeling of antibody proteins and introduce the $\textit{distributional conformity score}$ to benchmark protein generative models. By optimizing and sampling from our models for the proposed distributional conformity score, 97-100\% of generated samples are successfully expressed and purified and 70\% of functional designs show equal or improved binding affinity compared to known functional antibodies on the first attempt in a single round of laboratory experiments. We also report the first demonstration of long-run fast-mixing MCMC chains where diverse antibody protein classes are visited in a single MCMC chain.
Learning features from data is one of the defining characteristics of deep learning,but the theoretical understanding of the role features play in deep learning is still inearly development. To address this gap, we introduce a new tool, the interactiontensor, for empirically analyzing the interaction between data and model throughfeatures. With the interaction tensor, we make several key observations abouthow features are distributed in data and how models with different random seedslearn different features. Based on these observations, we propose a conceptualframework for feature learning. Under this framework, the expected accuracy for asingle hypothesis and agreement for a pair of hypotheses can both be derived inclosed form. We demonstrate that the proposed framework can explain empiricallyobserved phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with onlyunlabeled data. Further, our theory also provides explicit construction of naturaldata distributions that break the GDE. Thus, we believe this work provides valuablenew insight into our understanding of feature learning.
Applications · Computer Vision
Recent studies show that vision models pre-trained in generic visual learning tasks with large-scale data can provide useful feature representations for a wide range of visual perception problems. However, few attempts have been made to exploit pre-trained foundation models in visual place recognition (VPR). Due to the inherent difference in training objectives and data between the tasks of model pre-training and VPR, how to bridge the gap and fully unleash the capability of pre-trained models for VPR is still a key issue to address. To this end, we propose a novel method to realize seamless adaptation of pre-trained models for VPR. Specifically, to obtain both global and local features that focus on salient landmarks for discriminating places, we design a hybrid adaptation method to achieve both global and local adaptation efficiently, in which only lightweight adapters are tuned without adjusting the pre-trained model. Besides, to guide effective adaptation, we propose a mutual nearest neighbor local feature loss, which ensures proper dense local features are produced for local matching and avoids time-consuming spatial verification in re-ranking. Experimental results show that our method outperforms the state-of-the-art methods with less training data and training time, and uses about only 3% retrieval runtime of the two-stage VPR methods with RANSAC-based spatial verification. It ranks 1st on the MSLS challenge leaderboard (at the time of submission). The code is released at https://github.com/Lu-Feng/SelaVPR.
Reinforcement Learning · Inverse
Humans often acquire new skills through observation and imitation. For robotic agents, learning from the plethora of unlabeled video demonstration data available on the Internet necessitates imitating the expert without access to its action, presenting a challenge known as Imitation Learning from Observation (ILfO). A common approach to tackle ILfO problems is to convert them into inverse reinforcement learning problems, utilizing a proxy reward computed from the agent's and the expert's observations. Nonetheless, we identify that tasks characterized by a progress dependency property pose significant challenges for such approaches; in these tasks, the agent needs to initially learn the expert's preceding behaviors before mastering the subsequent ones. Our investigation reveals that the main cause is that the reward signals assigned to later steps hinder the learning of initial behaviors. To address this challenge, we present a novel ILfO framework that enables the agent to master earlier behaviors before advancing to later ones. We introduce an Automatic Discount Scheduling (ADS) mechanism that adaptively alters the discount factor in reinforcement learning during the training phase, prioritizing earlier rewards initially and gradually engaging later rewards only when the earlier behaviors have been mastered. Our experiments, conducted on nine Meta-World tasks, demonstrate that our method significantly outperforms state-of-the-art methods across all tasks, including those that are unsolvable by them. Our code is available at https://il-ads.github.io.
Applications · Neuroscience, Cognitive Science
Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress ("knowledge tracing"; KT), and the prerequisite structure of the learning domain ("knowledge mapping"). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and interaction data. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step **p**redictive accuracy and **s**calable inference in continual-learning settings, all while providing **i**nterpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.