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Robotic manipulation relies on analytical or learned models to simulate the system dynamics. These models are often inaccurate and based on offline information, so that the robot planner is unable to cope with mismatches between the expected and the actual behavior of the system (e.g., the presence of an unexpected obstacle). In these situations, the robot should use information gathered online to correct its planning strategy and adapt to the actual system response. We propose a sampling-based motion planning approach that uses an estimate of the model error and online observations to correct the planning strategy at each new replanning. Our approach adapts the cost function and the sampling bias of a kinodynamic motion planner when the outcome of the executed transitions is different from the expected one (e.g., when the robot unexpectedly collides with an obstacle) so that future trajectories will avoid unreliable motions. To infer the properties of a new transition, we introduce the notion of context-awareness, i.e., we store local environment information for each executed transition and avoid new transitions with context similar to previous unreliable ones. This is helpful for leveraging online information even if the simulated transitions are far (in the state-and-action space) from the executed ones. Simulation and experimental results show that the proposed approach increases the success rate in execution and reduces the number of replannings needed to reach the goal.

Overparameterized models have proven to be powerful tools for solving various machine learning tasks. However, overparameterization often leads to a substantial increase in computational and memory costs, which in turn requires extensive resources to train. In this work, we present a novel approach for compressing overparameterized models, developed through studying their learning dynamics. We observe that for many deep models, updates to the weight matrices occur within a low-dimensional invariant subspace. For deep linear models, we demonstrate that their principal components are fitted incrementally within a small subspace, and use these insights to propose a compression algorithm for deep linear networks that involve decreasing the width of their intermediate layers. We empirically evaluate the effectiveness of our compression technique on matrix recovery problems. Remarkably, by using an initialization that exploits the structure of the problem, we observe that our compressed network converges faster than the original network, consistently yielding smaller recovery errors. We substantiate this observation by developing a theory focused on deep matrix factorization. Finally, we empirically demonstrate how our compressed model has the potential to improve the utility of deep nonlinear models. Overall, our algorithm improves the training efficiency by more than 2x, without compromising generalization.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

We study the probabilistic modeling performed by Autoregressive Large Language Models through the angle of time directionality. We empirically find a time asymmetry exhibited by such models in their ability to model natural language: a difference in the average log-perplexity when trying to predict the next token versus when trying to predict the previous one. This difference is at the same time subtle and very consistent across various modalities (language, model size, training time, ...). Theoretically, this is surprising: from an information-theoretic point of view, there should be no such difference. We provide a theoretical framework to explain how such an asymmetry can appear from sparsity and computational complexity considerations, and outline a number of perspectives opened by our results.

While conformal predictors reap the benefits of rigorous statistical guarantees on their error frequency, the size of their corresponding prediction sets is critical to their practical utility. Unfortunately, there is currently a lack of finite-sample analysis and guarantees for their prediction set sizes. To address this shortfall, we theoretically quantify the expected size of the prediction sets under the split conformal prediction framework. As this precise formulation cannot usually be calculated directly, we further derive point estimates and high-probability interval bounds that can be empirically computed, providing a practical method for characterizing the expected set size. We corroborate the efficacy of our results with experiments on real-world datasets for both regression and classification problems.

In general, diffusion model-based MRI reconstruction methods incrementally remove artificially added noise while imposing data consistency to reconstruct the underlying images. However, real-world MRI acquisitions already contain inherent noise due to thermal fluctuations. This phenomenon is particularly notable when using ultra-fast, high-resolution imaging sequences for advanced research, or using low-field systems favored by low- and middle-income countries. These common scenarios can lead to sub-optimal performance or complete failure of existing diffusion model-based reconstruction techniques. Specifically, as the artificially added noise is gradually removed, the inherent MRI noise becomes increasingly pronounced, making the actual noise level inconsistent with the predefined denoising schedule and consequently inaccurate image reconstruction. To tackle this problem, we propose a posterior sampling strategy with a novel NoIse Level Adaptive Data Consistency (Nila-DC) operation. Extensive experiments are conducted on two public datasets and an in-house clinical dataset with field strength ranging from 0.3T to 3T, showing that our method surpasses the state-of-the-art MRI reconstruction methods, and is highly robust against various noise levels. The code will be released after review.

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time. However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.

Conservation laws are an inherent feature in many systems modeling real world phenomena, in particular, those modeling biological and chemical systems. If the form of the underlying dynamical system is known, linear algebra and algebraic geometry methods can be used to identify the conservation laws. Our work focuses on using data-driven methods to identify the conservation law(s) in the absence of the knowledge of system dynamics. Building in part upon the ideas proposed in [arXiv:1811.00961], we develop a robust data-driven computational framework that automates the process of identifying the number and type of the conservation law(s) while keeping the amount of required data to a minimum. We demonstrate that due to relative stability of singular vectors to noise we are able to reconstruct correct conservation laws without the need for excessive parameter tuning. While we focus primarily on biological examples, the framework proposed herein is suitable for a variety of data science applications and can be coupled with other machine learning approaches.

As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.

We describe the new field of mathematical analysis of deep learning. This field emerged around a list of research questions that were not answered within the classical framework of learning theory. These questions concern: the outstanding generalization power of overparametrized neural networks, the role of depth in deep architectures, the apparent absence of the curse of dimensionality, the surprisingly successful optimization performance despite the non-convexity of the problem, understanding what features are learned, why deep architectures perform exceptionally well in physical problems, and which fine aspects of an architecture affect the behavior of a learning task in which way. We present an overview of modern approaches that yield partial answers to these questions. For selected approaches, we describe the main ideas in more detail.