Given the increasingly intricate forms of partial differential equations (PDEs) in physics and related fields, computationally solving PDEs without analytic solutions inevitably suffers from the trade-off between accuracy and efficiency. Recent advances in neural operators, a kind of mesh-independent neural-network-based PDE solvers, have suggested the dawn of overcoming this challenge. In this emerging direction, Koopman neural operator (KNO) is a representative demonstration and outperforms other state-of-the-art alternatives in terms of accuracy and efficiency. Here we present KoopmanLab, a self-contained and user-friendly PyTorch module of the Koopman neural operator family for solving partial differential equations. Beyond the original version of KNO, we develop multiple new variants of KNO based on different neural network architectures to improve the general applicability of our module. These variants are validated by mesh-independent and long-term prediction experiments implemented on representative PDEs (e.g., the Navier-Stokes equation and the Bateman-Burgers equation) and ERA5 (i.e., one of the largest high-resolution data sets of global-scale climate fields). These demonstrations suggest the potential of KoopmanLab to be considered in diverse applications of partial differential equations.

We propose the Detailed Outline Control (DOC) framework for improving long-range plot coherence when automatically generating several-thousand-word-long stories. DOC consists of two complementary components: a detailed outliner and a detailed controller. The detailed outliner creates a more detailed, hierarchically structured outline, shifting creative burden from the main drafting procedure to the planning stage. The detailed controller ensures the more detailed outline is still respected during generation by controlling story passages to align with outline details. In human evaluations of automatically generated stories, DOC substantially outperforms a strong Re3 baseline (Yang et al., 2022) on plot coherence (22.5% absolute gain), outline relevance (28.2%), and interestingness (20.7%). Humans also judged DOC to be much more controllable in an interactive generation setting.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

In deep learning, neural networks serve as noisy channels between input data and its representation. This perspective naturally relates deep learning with the pursuit of constructing channels with optimal performance in information transmission and representation. While considerable efforts are concentrated on realizing optimal channel properties during network optimization, we study a frequently overlooked possibility that neural networks can be initialized toward optimal channels. Our theory, consistent with experimental validation, identifies primary mechanics underlying this unknown possibility and suggests intrinsic connections between statistical physics and deep learning. Unlike the conventional theories that characterize neural networks applying the classic mean-filed approximation, we offer analytic proof that this extensively applied simplification scheme is not valid in studying neural networks as information channels. To fill this gap, we develop a corrected mean-field framework applicable for characterizing the limiting behaviors of information propagation in neural networks without strong assumptions on inputs. Based on it, we propose an analytic theory to prove that mutual information maximization is realized between inputs and propagated signals when neural networks are initialized at dynamic isometry, a case where information transmits via norm-preserving mappings. These theoretical predictions are validated by experiments on real neural networks, suggesting the robustness of our theory against finite-size effects. Finally, we analyze our findings with information bottleneck theory to confirm the precise relations among dynamic isometry, mutual information maximization, and optimal channel properties in deep learning.

Blind image super-resolution (Blind-SR) aims to recover a high-resolution (HR) image from its corresponding low-resolution (LR) input image with unknown degradations. Most of the existing works design an explicit degradation estimator for each degradation to guide SR. However, it is infeasible to provide concrete labels of multiple degradation combinations (\eg, blur, noise, jpeg compression) to supervise the degradation estimator training. In addition, these special designs for certain degradation, such as blur, impedes the models from being generalized to handle different degradations. To this end, it is necessary to design an implicit degradation estimator that can extract discriminative degradation representation for all degradations without relying on the supervision of degradation ground-truth. In this paper, we propose a Knowledge Distillation based Blind-SR network (KDSR). It consists of a knowledge distillation based implicit degradation estimator network (KD-IDE) and an efficient SR network. To learn the KDSR model, we first train a teacher network: KD-IDE$_{T}$. It takes paired HR and LR patches as inputs and is optimized with the SR network jointly. Then, we further train a student network KD-IDE$_{S}$, which only takes LR images as input and learns to extract the same implicit degradation representation (IDR) as KD-IDE$_{T}$. In addition, to fully use extracted IDR, we design a simple, strong, and efficient IDR based dynamic convolution residual block (IDR-DCRB) to build an SR network. We conduct extensive experiments under classic and real-world degradation settings. The results show that KDSR achieves SOTA performance and can generalize to various degradation processes. The source codes and pre-trained models will be released.

Link prediction is a crucial problem in graph-structured data. Due to the recent success of graph neural networks (GNNs), a variety of GNN-based models were proposed to tackle the link prediction task. Specifically, GNNs leverage the message passing paradigm to obtain node representation, which relies on link connectivity. However, in a link prediction task, links in the training set are always present while ones in the testing set are not yet formed, resulting in a discrepancy of the connectivity pattern and bias of the learned representation. It leads to a problem of dataset shift which degrades the model performance. In this paper, we first identify the dataset shift problem in the link prediction task and provide theoretical analyses on how existing link prediction methods are vulnerable to it. We then propose FakeEdge, a model-agnostic technique, to address the problem by mitigating the graph topological gap between training and testing sets. Extensive experiments demonstrate the applicability and superiority of FakeEdge on multiple datasets across various domains.

A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is modeled as a sequence of H (hydrophobic) and P (polar) amino acids on a lattice. The objective is to find conformations maximizing H-H contacts. It is known that even in this reduced setting, the problem is intractable (NP-hard). In this work, we apply deep reinforcement learning (DRL) to the two-dimensional HP model. We can obtain the conformations of best known energies for benchmark HP sequences with lengths from 20 to 50. Our DRL is based on a deep Q-network (DQN). We find that a DQN based on long short-term memory (LSTM) architecture greatly enhances the RL learning ability and significantly improves the search process. DRL can sample the state space efficiently, without the need of manual heuristics. Experimentally we show that it can find multiple distinct best-known solutions per trial. This study demonstrates the effectiveness of deep reinforcement learning in the HP model for protein folding.

Large language models (LLMs) have been shown to be able to perform new tasks based on a few demonstrations or natural language instructions. While these capabilities have led to widespread adoption, most LLMs are developed by resource-rich organizations and are frequently kept from the public. As a step towards democratizing this powerful technology, we present BLOOM, a 176B-parameter open-access language model designed and built thanks to a collaboration of hundreds of researchers. BLOOM is a decoder-only Transformer language model that was trained on the ROOTS corpus, a dataset comprising hundreds of sources in 46 natural and 13 programming languages (59 in total). We find that BLOOM achieves competitive performance on a wide variety of benchmarks, with stronger results after undergoing multitask prompted finetuning. To facilitate future research and applications using LLMs, we publicly release our models and code under the Responsible AI License.

Recently, the dominant DETR-based approaches apply central-concept spatial prior to accelerate Transformer detector convergency. These methods gradually refine the reference points to the center of target objects and imbue object queries with the updated central reference information for spatially conditional attention. However, centralizing reference points may severely deteriorate queries' saliency and confuse detectors due to the indiscriminative spatial prior. To bridge the gap between the reference points of salient queries and Transformer detectors, we propose SAlient Point-based DETR (SAP-DETR) by treating object detection as a transformation from salient points to instance objects. In SAP-DETR, we explicitly initialize a query-specific reference point for each object query, gradually aggregate them into an instance object, and then predict the distance from each side of the bounding box to these points. By rapidly attending to query-specific reference region and other conditional extreme regions from the image features, SAP-DETR can effectively bridge the gap between the salient point and the query-based Transformer detector with a significant convergency speed. Our extensive experiments have demonstrated that SAP-DETR achieves 1.4 times convergency speed with competitive performance. Under the standard training scheme, SAP-DETR stably promotes the SOTA approaches by 1.0 AP. Based on ResNet-DC-101, SAP-DETR achieves 46.9 AP.

In split machine learning (ML), different partitions of a neural network (NN) are executed by different computing nodes, requiring a large amount of communication cost. To ease communication burden, over-the-air computation (OAC) can efficiently implement all or part of the computation at the same time of communication. Based on the proposed system, the system implementation over wireless network is introduced and we provide the problem formulation. In particular, we show that the inter-layer connection in a NN of any size can be mathematically decomposed into a set of linear precoding and combining transformations over MIMO channels. Therefore, the precoding matrix at the transmitter and the combining matrix at the receiver of each MIMO link, as well as the channel matrix itself, can jointly serve as a fully connected layer of the NN. The generalization of the proposed scheme to the conventional NNs is also introduced. Finally, we extend the proposed scheme to the widely used convolutional neural networks and demonstrate its effectiveness under both the static and quasi-static memory channel conditions with comprehensive simulations. In such a split ML system, the precoding and combining matrices are regarded as trainable parameters, while MIMO channel matrix is regarded as unknown (implicit) parameters.