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We present a new class of Langevin based algorithms, which overcomes many of the known shortcomings of popular adaptive optimizers that are currently used for the fine tuning of deep learning models. Its underpinning theory relies on recent advances of Euler's polygonal approximations for stochastic differential equations (SDEs) with monotone coefficients. As a result, it inherits the stability properties of tamed algorithms, while it addresses other known issues, e.g. vanishing gradients in neural networks. In particular, we provide a nonasymptotic analysis and full theoretical guarantees for the convergence properties of an algorithm of this novel class, which we named TH$\varepsilon$O POULA (or, simply, TheoPouLa). Finally, several experiments are presented with different types of deep learning models, which show the superior performance of TheoPouLa over many popular adaptive optimization algorithms.

Machine learning is employed for solving physical systems governed by general nonlinear partial differential equations (PDEs). However, complex multi-physics systems such as acoustic-structure coupling are often described by a series of PDEs that incorporate variable physical quantities, which are referred to as parametric systems. There are lack of strategies for solving parametric systems governed by PDEs that involve explicit and implicit quantities. In this paper, a deep learning-based Multi Physics-Informed PointNet (MPIPN) is proposed for solving parametric acoustic-structure systems. First, the MPIPN induces an enhanced point-cloud architecture that encompasses explicit physical quantities and geometric features of computational domains. Then, the MPIPN extracts local and global features of the reconstructed point-cloud as parts of solving criteria of parametric systems, respectively. Besides, implicit physical quantities are embedded by encoding techniques as another part of solving criteria. Finally, all solving criteria that characterize parametric systems are amalgamated to form distinctive sequences as the input of the MPIPN, whose outputs are solutions of systems. The proposed framework is trained by adaptive physics-informed loss functions for corresponding computational domains. The framework is generalized to deal with new parametric conditions of systems. The effectiveness of the MPIPN is validated by applying it to solve steady parametric acoustic-structure coupling systems governed by the Helmholtz equations. An ablation experiment has been implemented to demonstrate the efficacy of physics-informed impact with a minority of supervised data. The proposed method yields reasonable precision across all computational domains under constant parametric conditions and changeable combinations of parametric conditions for acoustic-structure systems.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

This study explores the sample complexity for two-layer neural networks to learn a generalized linear target function under Stochastic Gradient Descent (SGD), focusing on the challenging regime where many flat directions are present at initialization. It is well-established that in this scenario $n=O(d \log d)$ samples are typically needed. However, we provide precise results concerning the pre-factors in high-dimensional contexts and for varying widths. Notably, our findings suggest that overparameterization can only enhance convergence by a constant factor within this problem class. These insights are grounded in the reduction of SGD dynamics to a stochastic process in lower dimensions, where escaping mediocrity equates to calculating an exit time. Yet, we demonstrate that a deterministic approximation of this process adequately represents the escape time, implying that the role of stochasticity may be minimal in this scenario.

The variational quantum eigensolver (VQE) is a promising candidate that brings practical benefits from quantum computing. However, the required bandwidth in/out of a cryostat is a limiting factor to scale cryogenic quantum computers. We propose a tailored counter-based module with single flux quantum circuits in 4-K stage which precomputes a part of VQE calculation and reduces the amount of inter-temperature communication. The evaluation shows that our system reduces the required bandwidth by 97%, and with this drastic reduction, total power consumption is reduced by 93% in the case where 277 VQE programs are executed in parallel on a 10000-qubit machine.

Selecting an evaluation metric is fundamental to model development, but uncertainty remains about when certain metrics are preferable and why. This paper introduces the concept of resolving power to describe the ability of an evaluation metric to distinguish between binary classifiers of similar quality. This ability depends on two attributes: 1. The metric's response to improvements in classifier quality (its signal), and 2. The metric's sampling variability (its noise). The paper defines resolving power generically as a metric's sampling uncertainty scaled by its signal. The primary application of resolving power is to assess threshold-free evaluation metrics, such as the area under the receiver operating characteristic curve (AUROC) and the area under the precision-recall curve (AUPRC). A simulation study compares the AUROC and the AUPRC in a variety of contexts. It finds that the AUROC generally has greater resolving power, but that the AUPRC is better when searching among high-quality classifiers applied to low prevalence outcomes. The paper concludes by proposing an empirical method to estimate resolving power that can be applied to any dataset and any initial classification model.

Heuristic tools from statistical physics have been used in the past to locate the phase transitions and compute the optimal learning and generalization errors in the teacher-student scenario in multi-layer neural networks. In this contribution, we provide a rigorous justification of these approaches for a two-layers neural network model called the committee machine. We also introduce a version of the approximate message passing (AMP) algorithm for the committee machine that allows to perform optimal learning in polynomial time for a large set of parameters. We find that there are regimes in which a low generalization error is information-theoretically achievable while the AMP algorithm fails to deliver it, strongly suggesting that no efficient algorithm exists for those cases, and unveiling a large computational gap.

Several subjective proposals have been made for interpreting the strength of evidence in likelihood ratios and Bayes factors. I identify a more objective scaling by modelling the effect of evidence on belief. The resulting scale with base 3.73 aligns with previous proposals and may partly explain intuitions.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.