arXiv subjects

Yifeng Li

Publications and source records attributed to Yifeng Li.

26 records · Page 2Linked to original sources

arXiv2022

Generative Enriched Sequential Learning (ESL) Approach for Molecular Design via Augmented Domain Knowledge

Deploying generative machine learning techniques to generate novel chemical structures based on molecular fingerprint representation has been well established in molecular design. Typically, sequential learning (SL) schemes such as hidden Markov models (HMM) and, more recently, in the sequential deep learning context, recurrent neural network (RNN) and long short-term memory (LSTM) were used extensively as generative models to discover unprecedented molecules. To this end, emission probability between two states of atoms plays a central role without considering specific chemical or physical properties. Lack of supervised domain knowledge can mislead the learning procedure to be relatively biased to the prevalent molecules observed in the training data that are not necessarily of interest. We alleviated this drawback by augmenting the training data with domain knowledge, e.g. quantitative estimates of the drug-likeness score (QEDs). As such, our experiments demonstrated that with this subtle trick called enriched sequential learning (ESL), specific patterns of particular interest can be learnt better, which led to generating de novo molecules with ameliorated QEDs.

q-bio.BM↗

arXiv2021

Simultaneous Semantic and Collision Learning for 6-DoF Grasp Pose Estimation

Grasping in cluttered scenes has always been a great challenge for robots, due to the requirement of the ability to well understand the scene and object information. Previous works usually assume that the geometry information of the objects is available, or utilize a step-wise, multi-stage strategy to predict the feasible 6-DoF grasp poses. In this work, we propose to formalize the 6-DoF grasp pose estimation as a simultaneous multi-task learning problem. In a unified framework, we jointly predict the feasible 6-DoF grasp poses, instance semantic segmentation, and collision information. The whole framework is jointly optimized and end-to-end differentiable. Our model is evaluated on large-scale benchmarks as well as the real robot system. On the public dataset, our method outperforms prior state-of-the-art methods by a large margin (+4.08 AP). We also demonstrate the implementation of our model on a real robotic platform and show that the robot can accurately grasp target objects in cluttered scenarios with a high success rate. Project link: https://openbyterobotics.github.io/sscl

cs.RO↗

arXiv2021

DSSL: Deep Surroundings-person Separation Learning for Text-based Person Retrieval

Many previous methods on text-based person retrieval tasks are devoted to learning a latent common space mapping, with the purpose of extracting modality-invariant features from both visual and textual modality. Nevertheless, due to the complexity of high-dimensional data, the unconstrained mapping paradigms are not able to properly catch discriminative clues about the corresponding person while drop the misaligned information. Intuitively, the information contained in visual data can be divided into person information (PI) and surroundings information (SI), which are mutually exclusive from each other. To this end, we propose a novel Deep Surroundings-person Separation Learning (DSSL) model in this paper to effectively extract and match person information, and hence achieve a superior retrieval accuracy. A surroundings-person separation and fusion mechanism plays the key role to realize an accurate and effective surroundings-person separation under a mutually exclusion constraint. In order to adequately utilize multi-modal and multi-granular information for a higher retrieval accuracy, five diverse alignment paradigms are adopted. Extensive experiments are carried out to evaluate the proposed DSSL on CUHK-PEDES, which is currently the only accessible dataset for text-base person retrieval task. DSSL achieves the state-of-the-art performance on CUHK-PEDES. To properly evaluate our proposed DSSL in the real scenarios, a Real Scenarios Text-based Person Reidentification (RSTPReid) dataset is constructed to benefit future research on text-based person retrieval, which will be publicly available.

cs.CV↗

arXiv2021

Learning to Design and Construct Bridge without Blueprint

Autonomous assembly has been a desired functionality of many intelligent robot systems. We study a new challenging assembly task, designing and constructing a bridge without a blueprint. In this task, the robot needs to first design a feasible bridge architecture for arbitrarily wide cliffs and then manipulate the blocks reliably to construct a stable bridge according to the proposed design. In this paper, we propose a bi-level approach to tackle this task. At the high level, the system learns a bridge blueprint policy in a physical simulator using deep reinforcement learning and curriculum learning. A policy is represented as an attention-based neural network with object-centric input, which enables generalization to different numbers of blocks and cliff widths. For low-level control, we implement a motion-planning-based policy for real-robot motion control, which can be directly combined with a trained blueprint policy for real-world bridge construction without tuning. In our field study, our bi-level robot system demonstrates the capability of manipulating blocks to construct a diverse set of bridges with different architectures.

cs.RO↗

arXiv2020

Deep Evolutionary Learning for Molecular Design

In this paper, we propose a deep evolutionary learning (DEL) process that integrates fragment-based deep generative model and multi-objective evolutionary computation for molecular design. Our approach enables (1) evolutionary operations in the latent space of the generative model, rather than the structural space, to generate novel promising molecular structures for the next evolutionary generation, and (2) generative model fine-tuning using newly generated high-quality samples. Thus, DEL implements a data-model co-evolution concept which improves both sample population and generative model learning. Experiments on two public datasets indicate that sample population obtained by DEL exhibits improved property distributions, and dominates samples generated by multi-objective Bayesian optimization algorithms.

cs.NE↗

arXiv2020

Pulsar Timing Observations with Haoping Radio Telescope

We report pulsar timing observations carried out in L-band with NTSC's 40-meter Haoping Radio Telescope (HRT), which was constructed in 2014. The observations were carried out using the pulsar machine we developed. Timing observations toward millisecond pulsar J0437-4715 obtains a timing residual (r.m.s) of 397ns in the time span of 284 days. And our observations successfully detected Crab pulsar's glitch that happened on July 23rd, 2019.

astro-ph.IM↗

arXiv2019

Exploring Deep Anomaly Detection Methods Based on Capsule Net

In this paper, we develop and explore deep anomaly detection techniques based on the capsule network (CapsNet) for image data. Being able to encoding intrinsic spatial relationship between parts and a whole, CapsNet has been applied as both a classifier and deep autoencoder. This inspires us to design a prediction-probability-based and a reconstruction-error-based normality score functions for evaluating the "outlierness" of unseen images. Our results on three datasets demonstrate that the prediction-probability-based method performs consistently well, while the reconstruction-error-based approach is relatively sensitive to the similarity between labeled and unlabeled images. Furthermore, both of the CapsNet-based methods outperform the principled benchmark methods in many cases.

cs.LG↗

arXiv2019

Defending Adversarial Attacks by Correcting logits

Generating and eliminating adversarial examples has been an intriguing topic in the field of deep learning. While previous research verified that adversarial attacks are often fragile and can be defended via image-level processing, it remains unclear how high-level features are perturbed by such attacks. We investigate this issue from a new perspective, which purely relies on logits, the class scores before softmax, to detect and defend adversarial attacks. Our defender is a two-layer network trained on a mixed set of clean and perturbed logits, with the goal being recovering the original prediction. Upon a wide range of adversarial attacks, our simple approach shows promising results with relatively high accuracy in defense, and the defender can transfer across attackers with similar properties. More importantly, our defender can work in the scenarios that image data are unavailable, and enjoys high interpretability especially at the semantic level.

cs.LG↗