The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

Isomorphic Labs president Max Jaderberg said at WIRED Health in London that the startup has built a "broad and exciting pipeline of new medicines." Google DeepMind's AlphaFold has already revolutionized scientists' understanding of proteins . Now, the ability of the platform to design safe and effective drugs is about to be put to the test. Isomorphic Labs, the UK-based biotech spinoff of Google DeepMind, will soon begin human trials of drugs designed by its Nobel Prize-winning AI technology. "We're gearing up to go into the clinic," Isomorphic Labs president Max Jaderberg said on April 16 at WIRED Health in London.

The hardware employed4 consisted of 24 Intel(R) Xeon(R) Gold 5317 CPUs @ 3.00GHz, 8 modules of 32GB memory (with a5 speed of 3200MT/s), and 2 NVIDIAA40 GPUs with 48GB of memory each (NVIDIAUNIX x86_646 Kernel Module 510.108.03, CUDA version 11.6, cuDNN version 8.3).7 A.2 Network Architecture8 For the program synthesizing stage, the structure of the I/O encoder is elaborated in Table 1, where9 we employ dk1 dk2-s-do Conv to denote the 2D convolution with kernel size dk1 dk2, stride s, and10 output channel do. Additionally, BN refers to batch normalization [8], and di-do Linear denotes the11 fully-connected layer with input feature di and output feature do. The I/O encoder utilizes residual12 networks [7] and takes I/O pair with size 5 5 3 as inputs. To improve candidate programs through environmental contexts, the decoder's structure is elaborated14 in Table 2. Here, we utilize do-hGATv2Conv to represent the dynamic graph attention variant [1]15 with output channel do and multiple attention heads h, and do-nl denotes the nl layered bi-directional16 LSTM with output feature do.

Program synthesis aims to automatically generate an executable program that conforms to the given specification. Recent advancements have demonstrated that deep neural methodologies and large-scale pretrained language models are highly proficient in capturing program semantics. For robot programming, prior works have facilitated program synthesis by incorporating global environments. However, the assumption of acquiring a comprehensive understanding of the entire environment is often excessively challenging to achieve. In this work, we present a framework that learns to synthesize a program by rectifying potentially erroneous code segments, with the aid of partially observed environments. To tackle the issue of inadequate attention to partial observations, we propose to first learn an environment embedding space that can implicitly evaluate the impacts of each program token based on the precondition. Furthermore, by employing a graph structure, the model can aggregate both environmental and syntactic information flow and furnish smooth program rectification guidance. Extensive experimental evaluations and ablation studies on the partially observed VizDoom domain authenticate that our method offers superior generalization capability across various tasks and greater robustness when encountering noises.

No-reference image quality assessment (NR-IQA) aims to quantify how humans perceive visual distortions of digital images without access to their undistorted references. NR-IQA models are extensively studied in computational vision, and are widely used for performance evaluation and perceptual optimization of man-made vision systems. Here we make one of the first attempts to examine the perceptual robustness of NR-IQA models. Under a Lagrangian formulation, we identify insightful connections of the proposed perceptual attack to previous beautiful ideas in computer vision and machine learning. We test one knowledgedriven and three data-driven NR-IQA methods under four full-reference IQA models (as approximations to human perception of just-noticeable differences). Through carefully designed psychophysical experiments, we find that all four NRIQA models are vulnerable to the proposed perceptual attack. More interestingly, we observe that the generated counterexamples are not transferable, manifesting themselves as distinct design flows of respective NR-IQA methods.

Tabular data (or tables) are the most widely used data format in machine learning (ML). However, ML models often assume the table structure keeps fixed in training and testing. Before ML modeling, heavy data cleaning is required to merge disparate tables with different columns.

Shift invariance is a critical property of CNNs that improves performance on classification. However, we show that invariance to circular shifts can also lead to greater sensitivity to adversarial attacks. We first characterize the margin between classes when a shift-invariant linear classifier is used. We show that the margin can only depend on the DC component of the signals. Then, using results about infinitely wide networks, we show that in some simple cases, fully connected and shift-invariant neural networks produce linear decision boundaries. Using this, we prove that shift invariance in neural networks produces adversarial examples for the simple case of two classes, each consisting of a single image with a black or white dot on a gray background. This is more than a curiosity; we show empirically that with real datasets and realistic architectures, shift invariance reduces adversarial robustness. Finally, we describe initial experiments using synthetic data to probe the source of this connection.

In the Supplementary materials, we include detailed descriptions on convex surrogate losses,convolutional neural networks, non-asymptotic error bounds for commonly used loss functions, and prove Theorems 2.1,2.2, A toy example on the numerical performance of CNN approximation is presented in Appendix D. We next give a brief review of the convex surrogate loss functions and discuss in details on the connection between the excess risk with respect to the ϕ-loss and that of 0-1 loss [28, 4]. Let ϕbe a given convex univariate function ϕ: R [0,). Instead of minimizing the excess risk R over H, we consider minimizing the risk with respect to the loss ϕ(ϕ-risk) R(f):= E{ϕ(Yf(X))} over a certain class of functions F, where ϕ: R [0,) is some generic loss function. For the special case when H = {h: h(x) = sign(f(x)),f F} and ϕ() is a step function, i.e., ϕ(x) = 1 Guohao Shen and Yuling Jiao contributed equally to this work Corresponding authors 36th Conference on Neural Information Processing Systems (NeurIPS 2022). As shown in [28] and [4], for a properly chosen ϕ, ˆfn can indeed help reduce the 0-1 excess risk R (ˆhn) R (h0). More precisely, let R0:= inff measurable R(f), then for a proper ϕ, we have ψ(R (ˆhn) R (h0)) R(ˆfn) R(f0), where ψ: [ 1,1] [0,)is a nonnegative continuous function, invertible on [0,1], and achieves its minimum at 0 with ψ(0) = 0. A wide variety of popular classification methods are based on this tactic.