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 Deep Learning


Constrained Adaptive Attack: Effective Adversarial Attack Against Deep Neural Networks for Tabular Data

Neural Information Processing Systems

State-of-the-art deep learning models for tabular data have recently achieved acceptable performance to be deployed in industrial settings. However, the robustness of these models remains scarcely explored. Contrary to computer vision, there are no effective attacks to properly evaluate the adversarial robustness of deep tabular models due to intrinsic properties of tabular data, such as categorical features, immutability, and feature relationship constraints. To fill this gap, we first propose CAPGD, a gradient attack that overcomes the failures of existing gradient attacks with adaptive mechanisms. This new attack does not require parameter tuning and further degrades the accuracy, up to 81\% points compared to the previous gradient attacks. Second, we design CAA, an efficient evasion attack that combines our CAPGD attack and MOEVA, the best search-based attack. We demonstrate the effectiveness of our attacks on five architectures and four critical use cases. Our empirical study demonstrates that CAA outperforms all existing attacks in 17 over the 20 settings, and leads to a drop in the accuracy by up to 96.1\% points and 21.9\% points compared to CAPGD and MOEVA respectively while being up to five times faster than MOEVA. Given the effectiveness and efficiency of our new attacks, we argue that they should become the minimal test for any new defense or robust architectures in tabular machine learning.


PIE-NET: Parametric Inference of Point Cloud Edges

Neural Information Processing Systems

We introduce an end-to-end learnable technique to robustly identify feature edges in 3D point cloud data. We represent these edges as a collection of parametric curves (i.e.,~lines, circles, and B-splines). Accordingly, our deep neural network, coined PIE-NET, is trained for parametric inference of edges. The network relies on a region proposal architecture, where a first module proposes an over-complete collection of edge and corner points, and a second module ranks each proposal to decide whether it should be considered. We train and evaluate our method on the ABC dataset, a large dataset of CAD models, and compare our results to those produced by traditional (non-learning) processing pipelines, as well as a recent deep learning based edge detector (EC-NET). Our results significantly improve over the state-of-the-art from both a quantitative and qualitative standpoint.


SageMix: Saliency-Guided Mixup for Point Clouds

Neural Information Processing Systems

Data augmentation is key to improving the generalization ability of deep learning models. Mixup is a simple and widely-used data augmentation technique that has proven effective in alleviating the problems of overfitting and data scarcity. Also, recent studies of saliency-aware Mixup in the image domain show that preserving discriminative parts is beneficial to improving the generalization performance. However, these Mixup-based data augmentations are underexplored in 3D vision, especially in point clouds. In this paper, we propose SageMix, a saliency-guided Mixup for point clouds to preserve salient local structures.


Optimal deep learning of holomorphic operators between Banach spaces

Neural Information Processing Systems

Operator learning problems arise in many key areas of scientific computing where Partial Differential Equations (PDEs) are used to model physical systems. In such scenarios, the operators map between Banach or Hilbert spaces. In this work, we tackle the problem of learning operators between Banach spaces, in contrast to the vast majority of past works considering only Hilbert spaces. We focus on learning holomorphic operators -- an important class of problems with many applications. We combine arbitrary approximate encoders and decoders with standard feedforward Deep Neural Network (DNN) architectures -- specifically, those with constant width exceeding the depth -- under standard $\ell^2$-loss minimization. We first identify a family of DNNs such that the resulting Deep Learning (DL) procedure achieves optimal generalization bounds for such operators. For standard fully-connected architectures, we then show that there are uncountably many minimizers of the training problem that yield equivalent optimal performance. The DNN architectures we consider are `problem agnostic', with width and depth only depending on the amount of training data $m$ and not on regularity assumptions of the target operator. Next, we show that DL is optimal for this problem: no recovery procedure can surpass these generalization bounds up to log terms.


AlphaMath Almost Zero: Process Supervision without Process

Neural Information Processing Systems

Although recent advancements in large language models (LLMs) have significantly improved their performance on various tasks, they still face challenges with complex and symbolic multi-step reasoning, particularly in mathematical reasoning. To bolster the mathematical reasoning capabilities of LLMs, most existing efforts concentrate on seeking assistance from either domain experts or GPT-4 for high-quality process-supervised data, which is not only expensive but also labor-intensive. In our study, we propose an innovative framework, AlphaMath, that bypasses the need for process annotations (from humans or GPTs) by leveraging Monte Carlo Tree Search (MCTS). This framework focuses on unleashing the potential of a well-pretrained LLM to autonomously enhance its mathematical reasoning. Specifically, we integrate a value model with the LLM, automatically generating both process supervision and step-level evaluation signals in MCTS. Furthermore, we propose an efficient inference strategy--step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.


Large Language Models Are Zero-Shot Time Series Forecasters

Neural Information Processing Systems

By encoding time series as a string of numerical digits, we can frame time series forecasting as next-token prediction in text. Developing this approach, we find that large language models (LLMs) such as GPT-3 and LLaMA-2 can surprisingly zero-shot extrapolate time series at a level comparable to or exceeding the performance of purpose-built time series models trained on the downstream tasks. To facilitate this performance, we propose procedures for effectively tokenizing time series data and converting discrete distributions over tokens into highly flexible densities over continuous values. We argue the success of LLMs for time series stems from their ability to naturally represent multimodal distributions, in conjunction with biases for simplicity, and repetition, which align with the salient features in many time series, such as repeated seasonal trends. We also show how LLMs can naturally handle missing data without imputation through non-numerical text, accommodate textual side information, and answer questions to help explain predictions. While we find that increasing model size generally improves performance on time series, we show GPT-4 can perform worse than GPT-3 because of how it tokenizes numbers, and poor uncertainty calibration, which is likely the result of alignment interventions such as RLHF.


Generalization Error Bounds on Deep Learning with Markov Datasets

Neural Information Processing Systems

In this paper, we derive upper bounds on generalization errors for deep neural networks with Markov datasets. These bounds are developed based on Koltchinskii and Panchenko's approach for bounding the generalization error of combined classifiers with i.i.d.


On the universality of deep learning

Neural Information Processing Systems

This paper shows that deep learning, i.e., neural networks trained by SGD, can learn in polytime any function class that can be learned in polytime by some algorithm, including parities. This universal result is further shown to be robust, i.e., it holds under possibly poly-noise on the gradients, which gives a separation between deep learning and statistical query algorithms, as the latter are not comparably universal due to cases like parities. This also shows that SGD-based deep learning does not suffer from the limitations of the perceptron discussed by Minsky-Papert '69. The paper further complement this result with a lower-bound on the generalization error of descent algorithms, which implies in particular that the robust universality breaks down if the gradients are averaged over large enough batches of samples as in full-GD, rather than fewer samples as in SGD.


Meta-Auto-Decoder for Solving Parametric Partial Differential Equations

Neural Information Processing Systems

Many important problems in science and engineering require solving the so-called parametric partial differential equations (PDEs), i.e., PDEs with different physical parameters, boundary conditions, shapes of computation domains, etc. Recently, building learning-based numerical solvers for parametric PDEs has become an emerging new field.


Quantifying and Optimizing Global Faithfulness in Persona-driven Role-playing

Neural Information Processing Systems

Persona-driven role-playing (PRP) aims to build AI characters that can respond to user queries by faithfully sticking with \emph{all} (factual) statements in persona documents.Unfortunately, existing faithfulness criteria for PRP are limited to coarse-grained LLM-based scoring without a clear definition or formulation.This paper presents a pioneering exploration to quantify PRP faithfulness evaluation as a fine-grained and explainable criterion, which also serves as a reliable reference for faithfulness optimization.Our criterion first discriminates persona statements into \emph{active} and \emph{passive} constraints by identifying the query-statement relevance.Then, we incorporate all constraints following the principle that the AI character's response should be (a) entailed by active constraints and (b) not contradicted by passive constraints.We translate this principle mathematically into a novel Active-Passive-Constraint (APC) score, a constraint-wise sum of statement-to-response natural language inference (NLI) scores weighted by constraint-query relevance scores. In practice, we build the APC scoring system by symbolically distilling small NLI and relevance discriminators (300M parameters) from GPT-4 for efficiency, and both show high consistency with GPT-4's discrimination.We validate the quality of the APC score against human evaluation based on example personas with tens of statements, and the results show a high correlation.As the APC score could faithfully reflect the PRP quality, we further leverage it as a reward system in direct preference optimization (DPO) for better AI characters. Our experiments offer a fine-grained and explainable comparison between existing PRP techniques, revealing their advantages and limitations.We further find APC-based DPO to be one of the most competitive techniques for sticking with all constraints and can be well incorporated with other techniques.We then extend the scale of the experiments to real persons with hundreds of statements and reach a consistent conclusion. Finally, we provide comprehensive analyses and case studies to support the effectiveness of APC and APC-based DPO.