Feature transformation for AI is an essential task to boost the effectiveness and interpretability of machine learning (ML). Feature transformation aims to transform original data to identify an optimal feature space that enhances the performances of a downstream ML model. Existing studies either combines preprocessing, feature selection, and generation skills to empirically transform data, or automate feature transformation by machine intelligence, such as reinforcement learning. However, existing studies suffer from: 1) high-dimensional non-discriminative feature space; 2) inability to represent complex situational states; 3) inefficiency in integrating local and global feature information. To fill the research gap, we formulate the feature transformation task as an iterative, nested process of feature generation and selection, where feature generation is to generate and add new features based on original features, and feature selection is to remove redundant features to control the size of feature space. Finally, we present extensive experiments and case studies to illustrate 24.7\% improvements in F1 scores compared with SOTAs and robustness in high-dimensional data.

There is increasing adoption of artificial intelligence in drug discovery. However, existing works use machine learning to mainly utilize the chemical structures of molecules yet ignore the vast textual knowledge available in chemistry. Incorporating textual knowledge enables us to realize new drug design objectives, adapt to text-based instructions, and predict complex biological activities. We present a multi-modal molecule structure-text model, MoleculeSTM, by jointly learning molecule's chemical structures and textual descriptions via a contrastive learning strategy. To train MoleculeSTM, we construct the largest multi-modal dataset to date, namely PubChemSTM, with over 280K chemical structure-text pairs. To demonstrate the effectiveness and utility of MoleculeSTM, we design two challenging zero-shot tasks based on text instructions, including structure-text retrieval and molecule editing. MoleculeSTM possesses two main properties: open vocabulary and compositionality via natural language. In experiments, MoleculeSTM obtains the state-of-the-art generalization ability to novel biochemical concepts across various benchmarks.

Modern autonomous driving system is characterized as modular tasks in sequential order, i.e., perception, prediction and planning. As sensors and hardware get improved, there is trending popularity to devise a system that can perform a wide diversity of tasks to fulfill higher-level intelligence. Contemporary approaches resort to either deploying standalone models for individual tasks, or designing a multi-task paradigm with separate heads. These might suffer from accumulative error or negative transfer effect. Instead, we argue that a favorable algorithm framework should be devised and optimized in pursuit of the ultimate goal, i.e. planning of the self-driving-car. Oriented at this goal, we revisit the key components within perception and prediction. We analyze each module and prioritize the tasks hierarchically, such that all these tasks contribute to planning (the goal). To this end, we introduce Unified Autonomous Driving (UniAD), the first comprehensive framework up-to-date that incorporates full-stack driving tasks in one network. It is exquisitely devised to leverage advantages of each module, and provide complementary feature abstractions for agent interaction from a global perspective. Tasks are communicated with unified query design to facilitate each other toward planning. We instantiate UniAD on the challenging nuScenes benchmark. With extensive ablations, the effectiveness of using such a philosophy is proven to surpass previous state-of-the-arts by a large margin in all aspects. The full suite of codebase and models would be available to facilitate future research in the community.

The receptive field (RF), which determines the region of time series to be ``seen'' and used, is critical to improve the performance for time series classification (TSC). However, the variation of signal scales across and within time series data, makes it challenging to decide on proper RF sizes for TSC. In this paper, we propose a dynamic sparse network (DSN) with sparse connections for TSC, which can learn to cover various RF without cumbersome hyper-parameters tuning. The kernels in each sparse layer are sparse and can be explored under the constraint regions by dynamic sparse training, which makes it possible to reduce the resource cost. The experimental results show that the proposed DSN model can achieve state-of-art performance on both univariate and multivariate TSC datasets with less than 50\% computational cost compared with recent baseline methods, opening the path towards more accurate resource-aware methods for time series analyses. Our code is publicly available at: https://github.com/QiaoXiao7282/DSN.

Font generation is a difficult and time-consuming task, especially in those languages using ideograms that have complicated structures with a large number of characters, such as Chinese. To solve this problem, few-shot font generation and even one-shot font generation have attracted a lot of attention. However, most existing font generation methods may still suffer from (i) large cross-font gap challenge; (ii) subtle cross-font variation problem; and (iii) incorrect generation of complicated characters. In this paper, we propose a novel one-shot font generation method based on a diffusion model, named Diff-Font, which can be stably trained on large datasets. The proposed model aims to generate the entire font library by giving only one sample as the reference. Specifically, a large stroke-wise dataset is constructed, and a stroke-wise diffusion model is proposed to preserve the structure and the completion of each generated character. To our best knowledge, the proposed Diff-Font is the first work that developed diffusion models to handle the font generation task. The well-trained Diff-Font is not only robust to font gap and font variation, but also achieved promising performance on difficult character generation. Compared to previous font generation methods, our model reaches state-of-the-art performance both qualitatively and quantitatively.

Although understanding and characterizing causal effects have become essential in observational studies, it is challenging when the confounders are high-dimensional. In this article, we develop a general framework $\textit{CausalEGM}$ for estimating causal effects by encoding generative modeling, which can be applied in both binary and continuous treatment settings. Under the potential outcome framework with unconfoundedness, we establish a bidirectional transformation between the high-dimensional confounders space and a low-dimensional latent space where the density is known (e.g., multivariate normal distribution). Through this, CausalEGM simultaneously decouples the dependencies of confounders on both treatment and outcome and maps the confounders to the low-dimensional latent space. By conditioning on the low-dimensional latent features, CausalEGM can estimate the causal effect for each individual or the average causal effect within a population. Our theoretical analysis shows that the excess risk for CausalEGM can be bounded through empirical process theory. Under an assumption on encoder-decoder networks, the consistency of the estimate can be guaranteed. In a series of experiments, CausalEGM demonstrates superior performance over existing methods for both binary and continuous treatments. Specifically, we find CausalEGM to be substantially more powerful than competing methods in the presence of large sample sizes and high dimensional confounders. The software of CausalEGM is freely available at https://github.com/SUwonglab/CausalEGM.

The foundation models have recently shown excellent performance on a variety of downstream tasks in computer vision. However, most existing vision foundation models simply focus on image-level pretraining and adpation, which are limited for dynamic and complex video-level understanding tasks. To fill the gap, we present general video foundation models, InternVideo, by taking advantage of both generative and discriminative self-supervised video learning. Specifically, InternVideo efficiently explores masked video modeling and video-language contrastive learning as the pretraining objectives, and selectively coordinates video representations of these two complementary frameworks in a learnable manner to boost various video applications. Without bells and whistles, InternVideo achieves state-of-the-art performance on 39 video datasets from extensive tasks including video action recognition/detection, video-language alignment, and open-world video applications. Especially, our methods can obtain 91.1% and 77.2% top-1 accuracy on the challenging Kinetics-400 and Something-Something V2 benchmarks, respectively. All of these results effectively show the generality of our InternVideo for video understanding. The code will be released at https://github.com/OpenGVLab/InternVideo .

This technical report briefly describes our JDExplore d-team's Vega v2 submission on the SuperGLUE leaderboard. SuperGLUE is more challenging than the widely used general language understanding evaluation (GLUE) benchmark, containing eight difficult language understanding tasks, including question answering, natural language inference, word sense disambiguation, coreference resolution, and reasoning. [Method] Instead of arbitrarily increasing the size of a pretrained language model (PLM), our aim is to 1) fully extract knowledge from the input pretraining data given a certain parameter budget, e.g., 6B, and 2) effectively transfer this knowledge to downstream tasks. To achieve goal 1), we propose self-evolution learning for PLMs to wisely predict the informative tokens that should be masked, and supervise the masked language modeling (MLM) process with rectified smooth labels. For goal 2), we leverage the prompt transfer technique to improve the low-resource tasks by transferring the knowledge from the foundation model and related downstream tasks to the target task. [Results] According to our submission record (Oct. 2022), with our optimized pretraining and fine-tuning strategies, our 6B Vega method achieved new state-of-the-art performance on 4/8 tasks, sitting atop the SuperGLUE leaderboard on Oct. 8, 2022, with an average score of 91.3.

Data uncertainty is commonly observed in the images for face recognition (FR). However, deep learning algorithms often make predictions with high confidence even for uncertain or irrelevant inputs. Intuitively, FR algorithms can benefit from both the estimation of uncertainty and the detection of out-of-distribution (OOD) samples. Taking a probabilistic view of the current classification model, the temperature scalar is exactly the scale of uncertainty noise implicitly added in the softmax function. Meanwhile, the uncertainty of images in a dataset should follow a prior distribution. Based on the observation, a unified framework for uncertainty modeling and FR, Random Temperature Scaling (RTS), is proposed to learn a reliable FR algorithm. The benefits of RTS are two-fold. (1) In the training phase, it can adjust the learning strength of clean and noisy samples for stability and accuracy. (2) In the test phase, it can provide a score of confidence to detect uncertain, low-quality and even OOD samples, without training on extra labels. Extensive experiments on FR benchmarks demonstrate that the magnitude of variance in RTS, which serves as an OOD detection metric, is closely related to the uncertainty of the input image. RTS can achieve top performance on both the FR and OOD detection tasks. Moreover, the model trained with RTS can perform robustly on datasets with noise. The proposed module is light-weight and only adds negligible computation cost to the model.

Weakly supervised semantic segmentation is typically inspired by class activation maps, which serve as pseudo masks with class-discriminative regions highlighted. Although tremendous efforts have been made to recall precise and complete locations for each class, existing methods still commonly suffer from the unsolicited Out-of-Candidate (OC) error predictions that not belongs to the label candidates, which could be avoidable since the contradiction with image-level class tags is easy to be detected. In this paper, we develop a group ranking-based Out-of-Candidate Rectification (OCR) mechanism in a plug-and-play fashion. Firstly, we adaptively split the semantic categories into In-Candidate (IC) and OC groups for each OC pixel according to their prior annotation correlation and posterior prediction correlation. Then, we derive a differentiable rectification loss to force OC pixels to shift to the IC group. Incorporating our OCR with seminal baselines (e.g., AffinityNet, SEAM, MCTformer), we can achieve remarkable performance gains on both Pascal VOC (+3.2%, +3.3%, +0.8% mIoU) and MS COCO (+1.0%, +1.3%, +0.5% mIoU) datasets with negligible extra training overhead, which justifies the effectiveness and generality of our OCR.