For classification and regression on tabular data, the dominance of gradient-boosted decision trees (GBDTs) has recently been challenged by often much slower deep learning methods with extensive hyperparameter tuning. We address this discrepancy by introducing (a) RealMLP, an improved multilayer perceptron (MLP), and (b) strong meta-tuned default parameters for GBDTs and RealMLP. We tune RealMLP and the default parameters on a meta-train benchmark with 118 datasets and compare them to hyperparameter-optimized versions on a disjoint meta-test benchmark with 90 datasets, as well as the GBDT-friendly benchmark by Grinsztajn et al. (2022). Our benchmark results on medium-to-large tabular datasets (1K--500K samples) show that RealMLP offers a favorable time-accuracy tradeoff compared to other neural baselines and is competitive with GBDTs in terms of benchmark scores. Moreover, a combination of RealMLP and GBDTs with improved default parameters can achieve excellent results without hyperparameter tuning. Finally, we demonstrate that some of RealMLP's improvements can also considerably improve the performance of TabR with default parameters.

Deep neural networks (DNNs) in the infinite width/channel limit have received much attention recently, as they provide a clear analytical window to deep learning via mappings to Gaussian Processes (GPs). Despite its theoretical appeal, this viewpoint lacks a crucial ingredient of deep learning in finite DNNs, laying at the heart of their success --- \textit{feature learning}. Here we consider DNNs trained with noisy gradient descent on a large training set and derive a self-consistent Gaussian Process theory accounting for \textit{strong} finite-DNN and feature learning effects. Applying this to a toy model of a two-layer linear convolutional neural network (CNN) shows good agreement with experiments. We further identify, both analytically and numerically, a sharp transition between a feature learning regime and a lazy learning regime in this model. Strong finite-DNN effects are also derived for a non-linear two-layer fully connected network. We have numerical evidence demonstrating that the assumptions required for our theory hold true in more realistic settings (Myrtle5 CNN trained on CIFAR-10).Our self-consistent theory provides a rich and versatile analytical framework for studying strong finite-DNN effects, most notably - feature learning.

The Lipschitz constant of a network plays an important role in many applications of deep learning, such as robustness certification and Wasserstein Generative Adversarial Network. We introduce a semidefinite programming hierarchy to estimate the global and local Lipschitz constant of a multiple layer deep neural network. The novelty is to combine a polynomial lifting for ReLU functions derivatives with a weak generalization of Putinar's positivity certificate. This idea could also apply to other, nearly sparse, polynomial optimization problems in machine learning. We empirically demonstrate that our method provides a trade-off with respect to state of the art linear programming approach, and in some cases we obtain better bounds in less time.

The field of Deep Learning is rich with empirical evidence of human-like performance on a variety of prediction tasks. However, despite these successes, the recent Predicting Generalization in Deep Learning (PGDL) NeurIPS 2020 competition suggests that there is a need for more robust and efficient measures of network generalization. In this work, we propose a new framework for evaluating the generalization capabilities of trained networks. We use perturbation response (PR) curves that capture the accuracy change of a given network as a function of varying levels of training sample perturbation. From these PR curves, we derive novel statistics that capture generalization capability. Specifically, we introduce two new measures for accurately predicting generalization gaps: the Gi-score and Pal-score, which are inspired by the Gini coefficient and Palma ratio (measures of income inequality), that accurately predict generalization gaps. Using our framework applied to intra and inter-class sample mixup, we attain better predictive scores than the current state-of-the-art measures on a majority of tasks in the PGDL competition. In addition, we show that our framework and the proposed statistics can be used to capture to what extent a trained network is invariant to a given parametric input transformation, such as rotation or translation. Therefore, these generalization gap prediction statistics also provide a useful means for selecting optimal network architectures and hyperparameters that are invariant to a certain perturbation.

Sparse tensors appear frequently in federated deep learning, either as a direct artifact of the deep neural network's gradients, or as a result of an explicit sparsification process. Existing communication primitives are agnostic to the peculiarities of deep learning; consequently, they impose unnecessary communication overhead. This paper introduces DeepReduce, a versatile framework for the compressed communication of sparse tensors, tailored to federated deep learning. DeepReduce decomposes sparse tensors into two sets, values and indices, and allows both independent and combined compression of these sets. We support a variety of common compressors, such as Deflate for values, or run-length encoding for indices. We also propose two novel compression schemes that achieve superior results: curve fitting-based for values, and bloom filter-based for indices. DeepReduce is orthogonal to existing gradient sparsifiers and can be applied in conjunction with them, transparently to the end-user, to significantly lower the communication overhead. As proof of concept, we implement our approach on TensorFlow and PyTorch. Our experiments with large real models demonstrate that DeepReduce transmits 320% less data than existing sparsifiers, without affecting accuracy.

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.

Existing neural network based one-class learning methods mainly use various forms of auto-encoders or GAN style adversarial training to learn a latent representation of the given one class of data. This paper proposes an entirely different approach based on a novel regularization, called holistic regularization (or H-regularization), which enables the system to consider the data holistically, not to produce a model that biases towards some features. Combined with a proposed 2-norm instance-level data normalization, we obtain an effective one-class learning method, called HRN. To our knowledge, the proposed regularization and the normalization method have not been reported before. Experimental evaluation using both benchmark image classification and traditional anomaly detection datasets show that HRN markedly outperforms the state-of-the-art existing deep/non-deep learning models.

Simple recurrent neural networks (RNNs) and their more advanced cousins LSTMs etc. have been very successful in sequence modeling. Their theoretical understanding, however, is lacking and has not kept pace with the progress for feedforward networks, where a reasonably complete understanding in the special case of highly overparametrized one-hidden-layer networks has emerged. In this paper, we make progress towards remedying this situation by proving that RNNs can learn functions of sequences. In contrast to the previous work that could only deal with functions of sequences that are sums of functions of individual tokens in the sequence, we allow general functions. Conceptually and technically, we introduce new ideas which enable us to extract information from the hidden state of the RNN in our proofs---addressing a crucial weakness in previous work. We illustrate our results on some regular language recognition problems.

Current multimodal Large Language Models (MLLMs) suffer from ''hallucination'', occasionally generating responses that are not grounded in the input images. To tackle this challenge, one promising path is to utilize reinforcement learning from human feedback (RLHF), which steers MLLMs towards learning superior responses while avoiding inferior ones. We rethink the common practice of using binary preferences (, superior, inferior), and find that adopting multi-level preferences (, superior, medium, inferior) is better for two benefits: 1) It narrows the gap between adjacent levels, thereby encouraging MLLMs to discern subtle differences.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various domains and are moving towards more specialized areas. Recent advanced proprietary models such as GPT-4 and Gemini have achieved significant advancements in biomedicine, which have also raised privacy and security challenges. The construction of specialized generalists hinges largely on high-quality datasets, enhanced by techniques like supervised fine-tuning and reinforcement learning from human or AI feedback, and direct preference optimization. However, these leading technologies (e.g., preference learning) are still significantly limited in the open source community due to the scarcity of specialized data. In this paper, we present the UltraMedical collections, which consist of high-quality manual and synthetic datasets in the biomedicine domain, featuring preference annotations across multiple advanced LLMs. By utilizing these datasets, we fine-tune a suite of specialized medical models based on Llama-3 series, demonstrating breathtaking capabilities across various medical benchmarks. Moreover, we develop powerful reward models skilled in biomedical and general reward benchmark, enhancing further online preference learning within the biomedical LLM community.