Adversarial examples, deliberately crafted using small perturbations to fool deep neural networks, were first studied in image processing and more recently in NLP. While approaches to detecting adversarial examples in NLP have largely relied on search over input perturbations, image processing has seen a range of techniques that aim to characterise adversarial subspaces over the learned representations. In this paper, we adapt two such approaches to NLP, one based on nearest neighbors and influence functions and one on Mahalanobis distances. The former in particular produces a state-of-the-art detector when compared against several strong baselines; moreover, the novel use of influence functions provides insight into how the nature of adversarial example subspaces in NLP relate to those in image processing, and also how they differ depending on the kind of NLP task.

Surface reconstruction from raw point clouds has been studied for decades in the computer graphics community, which is highly demanded by modeling and rendering applications nowadays. Classic solutions, such as Poisson surface reconstruction, require point normals as extra input to perform reasonable results. Modern transformer-based methods can work without normals, while the results are less fine-grained due to limited encoding performance in local fusion from discrete points. We introduce a novel normalized matrix attention transformer (Tensorformer) to perform high-quality reconstruction. The proposed matrix attention allows for simultaneous point-wise and channel-wise message passing, while the previous vector attention loses neighbor point information across different channels. It brings more degree of freedom in feature learning and thus facilitates better modeling of local geometries. Our method achieves state-of-the-art on two commonly used datasets, ShapeNetCore and ABC, and attains 4% improvements on IOU on ShapeNet. Code can be accessed https://github.com/THHHomas/Tensorformer6.

Contrastive learning, along with its variations, has been a highly effective self-supervised learning method across diverse domains. Contrastive learning measures the distance between representations using cosine similarity and uses cross-entropy for representation learning. Within the same framework of cosine-similarity-based representation learning, margins have played a significant role in enhancing face and speaker recognition tasks. Interestingly, despite the shared reliance on the same similarity metrics and objective functions, contrastive learning has not actively adopted margins. Furthermore, decision-boundary-based explanations are the only ones that have been used to explain the effect of margins in contrastive learning. In this work, we propose a new perspective to understand the role of margins based on gradient analysis. Based on the new perspective, we analyze how margins affect gradients of contrastive learning and separate the effect into more elemental levels. We separately analyze each and provide possible directions for improving contrastive learning. Our experimental results demonstrate that emphasizing positive samples and scaling gradients depending on positive sample angles and logits are the keys to improving the generalization performance of contrastive learning in both seen and unseen datasets, and other factors can only marginally improve performance.

Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular dynamics and utilizing the resulting trajectories to train a neural network potential through differentiable trajectory reweighting. Remarkably, this method requires only the native conformation of proteins, eliminating the need for labeled data derived from extensive simulations or memory-intensive end-to-end differentiable simulations. Once trained, the model can be employed to run parallel molecular dynamics simulations and sample folding events for proteins both within and beyond the training distribution, showcasing its extrapolation capabilities. By applying Markov State Models, native-like conformations of the simulated proteins can be predicted from the coarse-grained simulations. Owing to its theoretical transferability and ability to use solely experimental static structures as training data, we anticipate that this approach will prove advantageous for developing new protein force fields and further advancing the study of protein dynamics, folding, and interactions.

We present Strokes2Surface, an offline geometry reconstruction pipeline that recovers well-connected curve networks from imprecise 4D sketches to bridge concept design and digital modeling stages in architectural design. The input to our pipeline consists of 3D strokes' polyline vertices and their timestamps as the 4th dimension, along with additional metadata recorded throughout sketching. Inspired by architectural sketching practices, our pipeline combines a classifier and two clustering models to achieve its goal. First, with a set of extracted hand-engineered features from the sketch, the classifier recognizes the type of individual strokes between those depicting boundaries (Shape strokes) and those depicting enclosed areas (Scribble strokes). Next, the two clustering models parse strokes of each type into distinct groups, each representing an individual edge or face of the intended architectural object. Curve networks are then formed through topology recovery of consolidated Shape clusters and surfaced using Scribble clusters guiding the cycle discovery. Our evaluation is threefold: We confirm the usability of the Strokes2Surface pipeline in architectural design use cases via a user study, we validate our choice of features via statistical analysis and ablation studies on our collected dataset, and we compare our outputs against a range of reconstructions computed using alternative methods.

Artificial neural networks are prone to being fooled by carefully perturbed inputs which cause an egregious misclassification. These \textit{adversarial} attacks have been the focus of extensive research. Likewise, there has been an abundance of research in ways to detect and defend against them. We introduce a novel approach of detection and interpretation of adversarial attacks from a graph perspective. For an input image, we compute an associated sparse graph using the layer-wise relevance propagation algorithm \cite{bach15}. Specifically, we only keep edges of the neural network with the highest relevance values. Three quantities are then computed from the graph which are then compared against those computed from the training set. The result of the comparison is a classification of the image as benign or adversarial. To make the comparison, two classification methods are introduced: 1) an explicit formula based on Wasserstein distance applied to the degree of node and 2) a logistic regression. Both classification methods produce strong results which lead us to believe that a graph-based interpretation of adversarial attacks is valuable.

We present a robust deep incremental learning framework for regression tasks on financial temporal tabular datasets which is built upon the incremental use of commonly available tabular and time series prediction models to adapt to distributional shifts typical of financial datasets. The framework uses a simple basic building block (decision trees) to build self-similar models of any required complexity to deliver robust performance under adverse situations such as regime changes, fat-tailed distributions, and low signal-to-noise ratios. As a detailed study, we demonstrate our scheme using XGBoost models trained on the Numerai dataset and show that a two layer deep ensemble of XGBoost models over different model snapshots delivers high quality predictions under different market regimes. We also show that the performance of XGBoost models with different number of boosting rounds in three scenarios (small, standard and large) is monotonically increasing with respect to model size and converges towards the generalisation upper bound. We also evaluate the robustness of the model under variability of different hyperparameters, such as model complexity and data sampling settings. Our model has low hardware requirements as no specialised neural architectures are used and each base model can be independently trained in parallel.

As the scale of the datasets and parameterized models used to perform computation over data continues to grow [43, 53], distributing workloads across multiple devices becomes essential for enabling progress. The choice of architecture for large-scale training and inference must not only make the best use of computational and memory resources, but also contend with the fact that communication may become a bottleneck [85]. When using modern optical interconnects, classical computers exchange bits represented by light. This however does not fully utilize the potential of the physical substrate; given suitable computational capabilities and algorithms, the quantum nature of light can be harnessed as a powerful communication resource. Here we show that for a broad class of parameterized models, if quantum bits (qubits) are communicated instead of classical bits, an exponential reduction in the communication required to perform inference and gradientbased training can be achieved. This protocol additionally guarantees improved privacy of both the user data and model parameters through natural features of quantum mechanics, without the need for additional cryptographic or privacy protocols. To our knowledge, this is the first example of generic, exponential quantum advantage on problems that occur naturally in the training and deployment of large machine learning models. These types of communication advantages help scope the future roles and interplay between quantum and classical communication for distributed machine learning.

Interpretability is a key concern in estimating heterogeneous treatment effects using machine learning methods, especially for healthcare applications where high-stake decisions are often made. Inspired by the Predictive, Descriptive, Relevant framework of interpretability, we propose causal rule learning which finds a refined set of causal rules characterizing potential subgroups to estimate and enhance our understanding of heterogeneous treatment effects. Causal rule learning involves three phases: rule discovery, rule selection, and rule analysis. In the rule discovery phase, we utilize a causal forest to generate a pool of causal rules with corresponding subgroup average treatment effects. The selection phase then employs a D-learning method to select a subset of these rules to deconstruct individual-level treatment effects as a linear combination of the subgroup-level effects. This helps to answer an ignored question by previous literature: what if an individual simultaneously belongs to multiple groups with different average treatment effects? The rule analysis phase outlines a detailed procedure to further analyze each rule in the subset from multiple perspectives, revealing the most promising rules for further validation. The rules themselves, their corresponding subgroup treatment effects, and their weights in the linear combination give us more insights into heterogeneous treatment effects. Simulation and real-world data analysis demonstrate the superior performance of causal rule learning on the interpretable estimation of heterogeneous treatment effect when the ground truth is complex and the sample size is sufficient.

Introduction: The amount of data generated by original research is growing exponentially. Publicly releasing them is recommended to comply with the Open Science principles. However, data collected from human participants cannot be released as-is without raising privacy concerns. Fully synthetic data represent a promising answer to this challenge. This approach is explored by the French Centre de Recherche en {\'E}pid{\'e}miologie et Sant{\'e} des Populations in the form of a synthetic data generation framework based on Classification and Regression Trees and an original distance-based filtering. The goal of this work was to develop a refined version of this framework and to assess its risk-utility profile with empirical and formal tools, including novel ones developed for the purpose of this evaluation.Materials and Methods: Our synthesis framework consists of four successive steps, each of which is designed to prevent specific risks of disclosure. We assessed its performance by applying two or more of these steps to a rich epidemiological dataset. Privacy and utility metrics were computed for each of the resulting synthetic datasets, which were further assessed using machine learning approaches.Results: Computed metrics showed a satisfactory level of protection against attribute disclosure attacks for each synthetic dataset, especially when the full framework was used. Membership disclosure attacks were formally prevented without significantly altering the data. Machine learning approaches showed a low risk of success for simulated singling out and linkability attacks. Distributional and inferential similarity with the original data were high with all datasets.Discussion: This work showed the technical feasibility of generating publicly releasable synthetic data using a multi-step framework. Formal and empirical tools specifically developed for this demonstration are a valuable contribution to this field. Further research should focus on the extension and validation of these tools, in an effort to specify the intrinsic qualities of alternative data synthesis methods.Conclusion: By successfully assessing the quality of data produced using a novel multi-step synthetic data generation framework, we showed the technical and conceptual soundness of the Open-CESP initiative, which seems ripe for full-scale implementation.