Deep Learning
DSR: Dynamical Surface Representation as Implicit Neural Networks for Protein
We propose a novel neural network-based approach to modeling protein dynamics using an implicit representation of a protein's surface in 3D and time. Our method utilizes the zero-level set of signed distance functions (SDFs) to represent protein surfaces, enabling temporally and spatially continuous representations of protein dynamics. Our experimental results demonstrate that our model accurately captures protein dynamic trajectories and can interpolate and extrapolate in 3D and time. Importantly, this is the first study to introduce this method and successfully model large-scale protein dynamics. This approach offers a promising alternative to current methods, overcoming the limitations of first-principles-based and deep learning methods, and provides a more scalable and efficient approach to modeling protein dynamics. Additionally, our surface representation approach simplifies calculations and allows identifying movement trends and amplitudes of protein domains, making it a useful tool for protein dynamics research. Codes are available at https://github.com/Sundw-818/DSR,
Musk and Altman's bitter feud over OpenAI to be laid bare in court
The tech titans are slated to duke it out in court. The tech titans are slated to duke it out in court. Musk and Altman's bitter feud over OpenAI to be laid bare in court Tesla chief believes Altman broke company's founding agreement - and legal battle promises to be explosive T he bitter rivalry between two of the tech world's most powerful men arrives in court this week, as Elon Musk's lawsuit against Sam Altman and OpenAI heads to trial in Oakland, California. The case is set to feature some of the biggest names in Silicon Valley, and its outcome could affect the course of the AI boom. Musk's suit, filed in 2024, focuses on the formative years of OpenAI when he, Altman and others co-founded the artificial intelligence company as a nonprofit with a grand purpose.
Multi-Scale Adaptive Network for Single Image Denoising
Multi-scale architectures have shown effectiveness in a variety of tasks thanks to appealing cross-scale complementarity. However, existing architectures treat different scale features equally without considering the scale-specific characteristics, i.e., the within-scale characteristics are ignored in the architecture design. In this paper, we reveal this missing piece for multi-scale architecture design and accordingly propose a novel Multi-Scale Adaptive Network (MSANet) for single image denoising. Specifically, MSANet simultaneously embraces the within-scale characteristics and the cross-scale complementarity thanks to three novel neural blocks, i.e., adaptive feature block (AFeB), adaptive multi-scale block (AMB), and adaptive fusion block (AFuB). In brief, AFeB is designed to adaptively preserve image details and filter noises, which is highly expected for the features with mixed details and noises. AMB could enlarge the receptive field and aggregate the multi-scale information, which meets the need of contextually informative features. AFuB devotes to adaptively sampling and transferring the features from one scale to another scale, which fuses the multi-scale features with varying characteristics from coarse to fine. Extensive experiments on both three real and six synthetic noisy image datasets show the superiority of MSANet compared with 12 methods.
Appendix
AAbout Equation (1) As we discussed in Section 3, label smoothing and focal loss are equivalent to the standard CE loss with an additional maximum-entropy regularizer (see in Equation (1) and (2) in the main text). The proof of Equation (2) can be found in the corresponding paper [4]. SVHN is an image dataset which consists of 32 32 colored images of 0 9 digits. CIFAR-10 and CIFAR-100 consist of 32 32 colored natural images arranged in 10 and 100 classes, respectively. For 20Newsgroups, we use the GloVe word embedding [7] for text representation before the 1D-CNN model and set the embedding dimension as 100.
Rethinking Calibration of Deep Neural Networks: Do Not Be Afraid of Overconfidence
Capturing accurate uncertainty quantification of the predictions from deep neural networks is important in many real-world decision-making applications. A reliable predictor is expected to be accurate when it is confident about its predictions and indicate high uncertainty when it is likely to be inaccurate. However, modern neural networks have been found to be poorly calibrated, primarily in the direction of overconfidence. In recent years, there is a surge of research on model calibration by leveraging implicit or explicit regularization techniques during training, which achieve well calibration performance by avoiding overconfident outputs. In our study, we empirically found that despite the predictions obtained from these regularized models are better calibrated, they suffer from not being as calibratable, namely, it is harder to further calibrate these predictions with post-hoc calibration methods like temperature scaling and histogram binning. We conduct a series of empirical studies showing that overconfidence may not hurt final calibration performance if post-hoc calibration is allowed, rather, the penalty of confident outputs will compress the room of potential improvement in post-hoc calibration phase. Our experimental findings point out a new direction to improve calibration of DNNs by considering main training and post-hoc calibration as a unified framework.
Neural Circuit Architectural Priors for Embodied Control
Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control.