Scaling machine learning models significantly improves their performance. However, such gains come at the cost of inference being slow and resource-intensive. Early-exit neural networks (EENNs) offer a promising solution: they accelerate inference by allowing intermediate layers to'exit' and produce a prediction early. Yet a fundamental issue with EENNs is how to determine when to exit without severely degrading performance. In other words, when is it'safe' for an EENN to go'fast'? To address this issue, we investigate how to adapt frameworks of risk control to EENNs. Risk control offers a distribution-free, post-hoc solution that tunes the EENN's exiting mechanism so that exits only occur when the output is of sufficient quality. We empirically validate our insights on a range of vision and language tasks, demonstrating that risk control can produce substantial computational savings, all the while preserving user-specified performance goals.

We introduce a novel approach for detecting distribution shifts that negatively impact the performance of machine learning models in continuous production environments, which requires no access to ground truth data labels. It builds upon the work of Podkopaev and Ramdas [2022], who address scenarios where labels are available for tracking model errors over time. Our solution extends this framework to work in the absence of labels, by employing a proxy for the true error. This proxy is derived using the predictions of a trained error estimator. Experiments show that our method has high power and false alarm control under various distribution shifts, including covariate and label shifts and natural shifts over geography and time.

Time series data are essential in a wide range of machine learning (ML) applications. However, temporal data are often scarce or highly sensitive, limiting data sharing and the use of data-intensive ML methods. A possible solution to this problem is the generation of synthetic datasets that resemble real data. In this work, we introduce Time Series Generative Modeling (TSGM), an open-source framework for the generative modeling and evaluation of synthetic time series datasets. TSGM includes a broad repertoire of machine learning methods: generative models, probabilistic, simulation-based approaches, and augmentation techniques. The framework enables users to evaluate the quality of the produced data from different angles: similarity, downstream effectiveness, predictive consistency, diversity, fairness, and privacy. TSGM is extensible and user-friendly, which allows researchers to rapidly implement their own methods and compare them in a shareable environment. The framework has been tested on open datasets and in production and proved to be beneficial in both cases.

Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing stateof-the-art approaches either resort to large scale transformer-based models that diffuse over conformer fields, or use computationally expensive methods to generate initial structures and diffuse over torsion angles. In this work, we introduce Equivariant Transformer Flow (ET-Flow).

In this work, we conduct a systematic study of stochastic saddle point problems (SSP) and stochastic variational inequalities (SVI) under the constraint of (ϵ, δ)- differential privacy (DP) in both Euclidean and non-Euclidean setups.

Loss of plasticity, trainability loss, and primacy bias have been identified as issues arising when training deep neural networks on sequences of tasks--all referring to the increased difficulty in training on new tasks. We propose to use Parseval regularization, which maintains orthogonality of weight matrices, to preserve useful optimization properties and improve training in a continual reinforcement learning setting. We show that it provides significant benefits to RL agents on a suite of gridworld, CARL and MetaWorld tasks. We conduct comprehensive ablations to identify the source of its benefits and investigate the effect of certain metrics associated to network trainability including weight matrix rank, weight norms and policy entropy.

Large language models (LLMs) are increasingly used in applications where LLM inputs may span many different tasks. Recent work has found that the choice of LLM is consequential, and different LLMs may be good for different input samples. Prior approaches have thus explored how engineers might select an LLM to use for each sample (i.e.

To protect deep neural networks (DNNs) from adversarial attacks, adversarial training (AT) is developed by incorporating adversarial examples (AEs) into model training. Recent studies show that adversarial attacks disproportionately impact the patterns within the phase of the sample's frequency spectrum--typically containing crucial semantic information--more than those in the amplitude, resulting in the model's erroneous categorization of AEs. We find that, by mixing the amplitude of training samples' frequency spectrum with those of distractor images for AT, the model can be guided to focus on phase patterns unaffected by adversarial perturbations. As a result, the model's robustness can be improved. Unfortunately, it is still challenging to select appropriate distractor images, which should mix the amplitude without affecting the phase patterns. To this end, in this paper, we propose an optimized Adversarial Amplitude Generator (AAG) to achieve a better tradeoff between improving the model's robustness and retaining phase patterns. Based on this generator, together with an efficient AE production procedure, we design a new Dual Adversarial Training (DAT) strategy. Experiments on various datasets show that our proposed DAT leads to significantly improved robustness against diverse adversarial attacks. The source code is available at https:// github.com/Feng-peng-Li/DAT.

However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice.

Until recently, research on artificial neural networks was largely restricted to systems with only two types of variable: Neural activities that represent the current or recent input and weights that learn to capture regularities among inputs, outputs and payoffs. There is no good reason for this restriction. Synapses have dynamics at many different time-scales and this suggests that artificial neural networks might benefit from variables that change slower than activities but much faster than the standard weights. These "fast weights" can be used to store temporary memories of the recent past and they provide a neurally plausible way of implementing the type of attention to the past that has recently proved very helpful in sequence-to-sequence models. By using fast weights we can avoid the need to store copies of neural activity patterns.