arXiv subjects

Jian Tang

Publications and source records attributed to Jian Tang.

At least 163 records · Page 9Linked to original sources

arXiv2024

Observation of the dual quantum spin Hall insulator by density-tuned correlations in a van der Waals monolayer

The convergence of topology and correlations represents a highly coveted realm in the pursuit of novel quantum states of matter. Introducing electron correlations to a quantum spin Hall (QSH) insulator can lead to the emergence of a fractional topological insulator and other exotic time-reversal-symmetric topological order, not possible in quantum Hall and Chern insulator systems. However, the QSH insulator with quantized edge conductance remains rare, let alone that with significant correlations. In this work, we report a novel dual QSH insulator within the intrinsic monolayer crystal of TaIrTe4, arising from the interplay of its single-particle topology and density-tuned electron correlations. At charge neutrality, monolayer TaIrTe4 demonstrates the QSH insulator that aligns with single-particle band structure calculations, manifesting enhanced nonlocal transport and quantized helical edge conductance. Interestingly, upon introducing electrons from charge neutrality, TaIrTe4 only shows metallic behavior in a small range of charge densities but quickly goes into a new insulating state, entirely unexpected based on TaIrTe4's single-particle band structure. This insulating state could arise from a strong electronic instability near the van Hove singularities (VHS), likely leading to a charge density wave (CDW). Remarkably, within this correlated insulating gap, we observe a resurgence of the QSH state, marked by the revival of nonlocal transport and quantized helical edge conduction. Our observation of helical edge conduction in a CDW gap could bridge spin physics and charge orders. The discovery of a dual QSH insulator introduces a new method for creating topological flat minibands via CDW superlattices, which offer a promising platform for exploring time-reversal-symmetric fractional phases and electromagnetism.

cond-mat.mes-hall↗

arXiv2024

HRLAIF: Improvements in Helpfulness and Harmlessness in Open-domain Reinforcement Learning From AI Feedback

Reinforcement Learning from AI Feedback (RLAIF) has the advantages of shorter annotation cycles and lower costs over Reinforcement Learning from Human Feedback (RLHF), making it highly efficient during the rapid strategy iteration periods of large language model (LLM) training. Using ChatGPT as a labeler to provide feedback on open-domain prompts in RLAIF training, we observe an increase in human evaluators' preference win ratio for model responses, but a decrease in evaluators' satisfaction rate. Analysis suggests that the decrease in satisfaction rate is mainly due to some responses becoming less helpful, particularly in terms of correctness and truthfulness, highlighting practical limitations of basic RLAIF. In this paper, we propose Hybrid Reinforcement Learning from AI Feedback (HRLAIF). This method enhances the accuracy of AI annotations for responses, making the model's helpfulness more robust in training process. Additionally, it employs AI for Red Teaming, further improving the model's harmlessness. Human evaluation results show that HRLAIF inherits the ability of RLAIF to enhance human preference for outcomes at a low cost while also improving the satisfaction rate of responses. Compared to the policy model before Reinforcement Learning (RL), it achieves an increase of 2.08\% in satisfaction rate, effectively addressing the issue of a decrease of 4.58\% in satisfaction rate after basic RLAIF.

cs.LG↗

arXiv2024

Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at https://github.com/lujiarui/Str2Str

q-bio.QM↗

arXiv2024

Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations

The protein dynamics are common and important for their biological functions and properties, the study of which usually involves time-consuming molecular dynamics (MD) simulations in silico. Recently, generative models has been leveraged as a surrogate sampler to obtain conformation ensembles with orders of magnitude faster and without requiring any simulation data (a "zero-shot" inference). However, being agnostic of the underlying energy landscape, the accuracy of such generative model may still be limited. In this work, we explore the few-shot setting of such pre-trained generative sampler which incorporates MD simulations in a tractable manner. Specifically, given a target protein of interest, we first acquire some seeding conformations from the pre-trained sampler followed by a number of physical simulations in parallel starting from these seeding samples. Then we fine-tuned the generative model using the simulation trajectories above to become a target-specific sampler. Experimental results demonstrated the superior performance of such few-shot conformation sampler at a tractable computational cost.

q-bio.BM↗

arXiv2024

2023 Low-Power Computer Vision Challenge (LPCVC) Summary

This article describes the 2023 IEEE Low-Power Computer Vision Challenge (LPCVC). Since 2015, LPCVC has been an international competition devoted to tackling the challenge of computer vision (CV) on edge devices. Most CV researchers focus on improving accuracy, at the expense of ever-growing sizes of machine models. LPCVC balances accuracy with resource requirements. Winners must achieve high accuracy with short execution time when their CV solutions run on an embedded device, such as Raspberry PI or Nvidia Jetson Nano. The vision problem for 2023 LPCVC is segmentation of images acquired by Unmanned Aerial Vehicles (UAVs, also called drones) after disasters. The 2023 LPCVC attracted 60 international teams that submitted 676 solutions during the submission window of one month. This article explains the setup of the competition and highlights the winners' methods that improve accuracy and shorten execution time.

cs.CV↗

arXiv2024

HardTaint: Production-Run Dynamic Taint Analysis via Selective Hardware Tracing

Dynamic taint analysis (DTA), as a fundamental analysis technique, is widely used in security, privacy, and diagnosis, etc. As DTA demands to collect and analyze massive taint data online, it suffers extremely high runtime overhead. Over the past decades, numerous attempts have been made to lower the overhead of DTA. Unfortunately, the reductions they achieved are marginal, causing DTA only applicable to the debugging/testing scenarios. In this paper, we propose and implement HardTaint, a system that can realize production-run dynamic taint tracking. HardTaint adopts a hybrid and systematic design which combines static analysis, selective hardware tracing and parallel graph processing techniques. The comprehensive evaluations demonstrate that HardTaint introduces only around 9% runtime overhead which is an order of magnitude lower than the state-of-the-arts, while without sacrificing any taint detection capability.

cs.CR↗

arXiv2024

LLaVA-Phi: Efficient Multi-Modal Assistant with Small Language Model

In this paper, we introduce LLaVA-$ϕ$ (LLaVA-Phi), an efficient multi-modal assistant that harnesses the power of the recently advanced small language model, Phi-2, to facilitate multi-modal dialogues. LLaVA-Phi marks a notable advancement in the realm of compact multi-modal models. It demonstrates that even smaller language models, with as few as 2.7B parameters, can effectively engage in intricate dialogues that integrate both textual and visual elements, provided they are trained with high-quality corpora. Our model delivers commendable performance on publicly available benchmarks that encompass visual comprehension, reasoning, and knowledge-based perception. Beyond its remarkable performance in multi-modal dialogue tasks, our model opens new avenues for applications in time-sensitive environments and systems that require real-time interaction, such as embodied agents. It highlights the potential of smaller language models to achieve sophisticated levels of understanding and interaction, while maintaining greater resource efficiency.The project is available at {https://github.com/zhuyiche/llava-phi}.

cs.CV↗

arXiv2024

DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing

Proteins play a critical role in carrying out biological functions, and their 3D structures are essential in determining their functions. Accurately predicting the conformation of protein side-chains given their backbones is important for applications in protein structure prediction, design and protein-protein interactions. Traditional methods are computationally intensive and have limited accuracy, while existing machine learning methods treat the problem as a regression task and overlook the restrictions imposed by the constant covalent bond lengths and angles. In this work, we present DiffPack, a torsional diffusion model that learns the joint distribution of side-chain torsional angles, the only degrees of freedom in side-chain packing, by diffusing and denoising on the torsional space. To avoid issues arising from simultaneous perturbation of all four torsional angles, we propose autoregressively generating the four torsional angles from $χ_1$ to $χ_4$ and training diffusion models for each torsional angle. We evaluate the method on several benchmarks for protein side-chain packing and show that our method achieves improvements of $11.9\%$ and $13.5\%$ in angle accuracy on CASP13 and CASP14, respectively, with a significantly smaller model size ($60\times$ fewer parameters). Additionally, we show the effectiveness of our method in enhancing side-chain predictions in the AlphaFold2 model. Code is available at https://github.com/DeepGraphLearning/DiffPack.

q-bio.QM↗

arXiv2024

ProtIR: Iterative Refinement between Retrievers and Predictors for Protein Function Annotation

Protein function annotation is an important yet challenging task in biology. Recent deep learning advancements show significant potential for accurate function prediction by learning from protein sequences and structures. Nevertheless, these predictor-based methods often overlook the modeling of protein similarity, an idea commonly employed in traditional approaches using sequence or structure retrieval tools. To fill this gap, we first study the effect of inter-protein similarity modeling by benchmarking retriever-based methods against predictors on protein function annotation tasks. Our results show that retrievers can match or outperform predictors without large-scale pre-training. Building on these insights, we introduce a novel variational pseudo-likelihood framework, ProtIR, designed to improve function predictors by incorporating inter-protein similarity modeling. This framework iteratively refines knowledge between a function predictor and retriever, thereby combining the strengths of both predictors and retrievers. ProtIR showcases around 10% improvement over vanilla predictor-based methods. Besides, it achieves performance on par with protein language model-based methods, yet without the need for massive pre-training, highlighting the efficacy of our framework. Code will be released upon acceptance.

q-bio.BM↗

arXiv2024

In-Context Learning Can Re-learn Forbidden Tasks

Despite significant investment into safety training, large language models (LLMs) deployed in the real world still suffer from numerous vulnerabilities. One perspective on LLM safety training is that it algorithmically forbids the model from answering toxic or harmful queries. To assess the effectiveness of safety training, in this work, we study forbidden tasks, i.e., tasks the model is designed to refuse to answer. Specifically, we investigate whether in-context learning (ICL) can be used to re-learn forbidden tasks despite the explicit fine-tuning of the model to refuse them. We first examine a toy example of refusing sentiment classification to demonstrate the problem. Then, we use ICL on a model fine-tuned to refuse to summarise made-up news articles. Finally, we investigate whether ICL can undo safety training, which could represent a major security risk. For the safety task, we look at Vicuna-7B, Starling-7B, and Llama2-7B. We show that the attack works out-of-the-box on Starling-7B and Vicuna-7B but fails on Llama2-7B. Finally, we propose an ICL attack that uses the chat template tokens like a prompt injection attack to achieve a better attack success rate on Vicuna-7B and Starling-7B. Trigger Warning: the appendix contains LLM-generated text with violence, suicide, and misinformation.

cs.LG↗

arXiv2024

Structure-Informed Protein Language Model

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.

q-bio.BM↗

arXiv2024

A Survey on Robotics with Foundation Models: toward Embodied AI

While the exploration for embodied AI has spanned multiple decades, it remains a persistent challenge to endow agents with human-level intelligence, including perception, learning, reasoning, decision-making, control, and generalization capabilities, so that they can perform general-purpose tasks in open, unstructured, and dynamic environments. Recent advances in computer vision, natural language processing, and multi-modality learning have shown that the foundation models have superhuman capabilities for specific tasks. They not only provide a solid cornerstone for integrating basic modules into embodied AI systems but also shed light on how to scale up robot learning from a methodological perspective. This survey aims to provide a comprehensive and up-to-date overview of foundation models in robotics, focusing on autonomous manipulation and encompassing high-level planning and low-level control. Moreover, we showcase their commonly used datasets, simulators, and benchmarks. Importantly, we emphasize the critical challenges intrinsic to this field and delineate potential avenues for future research, contributing to advancing the frontier of academic and industrial discourse.

cs.RO↗

arXiv2024

Object-Centric Instruction Augmentation for Robotic Manipulation

Humans interpret scenes by recognizing both the identities and positions of objects in their observations. For a robot to perform tasks such as \enquote{pick and place}, understanding both what the objects are and where they are located is crucial. While the former has been extensively discussed in the literature that uses the large language model to enrich the text descriptions, the latter remains underexplored. In this work, we introduce the \textit{Object-Centric Instruction Augmentation (OCI)} framework to augment highly semantic and information-dense language instruction with position cues. We utilize a Multi-modal Large Language Model (MLLM) to weave knowledge of object locations into natural language instruction, thus aiding the policy network in mastering actions for versatile manipulation. Additionally, we present a feature reuse mechanism to integrate the vision-language features from off-the-shelf pre-trained MLLM into policy networks. Through a series of simulated and real-world robotic tasks, we demonstrate that robotic manipulator imitation policies trained with our enhanced instructions outperform those relying solely on traditional language instructions.

cs.RO↗

arXiv2024

Language-Conditioned Robotic Manipulation with Fast and Slow Thinking

The language-conditioned robotic manipulation aims to transfer natural language instructions into executable actions, from simple pick-and-place to tasks requiring intent recognition and visual reasoning. Inspired by the dual process theory in cognitive science, which suggests two parallel systems of fast and slow thinking in human decision-making, we introduce Robotics with Fast and Slow Thinking (RFST), a framework that mimics human cognitive architecture to classify tasks and makes decisions on two systems based on instruction types. Our RFST consists of two key components: 1) an instruction discriminator to determine which system should be activated based on the current user instruction, and 2) a slow-thinking system that is comprised of a fine-tuned vision language model aligned with the policy networks, which allows the robot to recognize user intention or perform reasoning tasks. To assess our methodology, we built a dataset featuring real-world trajectories, capturing actions ranging from spontaneous impulses to tasks requiring deliberate contemplation. Our results, both in simulation and real-world scenarios, confirm that our approach adeptly manages intricate tasks that demand intent recognition and reasoning. The project is available at https://jlm-z.github.io/RSFT/

cs.RO↗

arXiv2024

EPSD: Early Pruning with Self-Distillation for Efficient Model Compression

Neural network compression techniques, such as knowledge distillation (KD) and network pruning, have received increasing attention. Recent work `Prune, then Distill' reveals that a pruned student-friendly teacher network can benefit the performance of KD. However, the conventional teacher-student pipeline, which entails cumbersome pre-training of the teacher and complicated compression steps, makes pruning with KD less efficient. In addition to compressing models, recent compression techniques also emphasize the aspect of efficiency. Early pruning demands significantly less computational cost in comparison to the conventional pruning methods as it does not require a large pre-trained model. Likewise, a special case of KD, known as self-distillation (SD), is more efficient since it requires no pre-training or student-teacher pair selection. This inspires us to collaborate early pruning with SD for efficient model compression. In this work, we propose the framework named Early Pruning with Self-Distillation (EPSD), which identifies and preserves distillable weights in early pruning for a given SD task. EPSD efficiently combines early pruning and self-distillation in a two-step process, maintaining the pruned network's trainability for compression. Instead of a simple combination of pruning and SD, EPSD enables the pruned network to favor SD by keeping more distillable weights before training to ensure better distillation of the pruned network. We demonstrated that EPSD improves the training of pruned networks, supported by visual and quantitative analyses. Our evaluation covered diverse benchmarks (CIFAR-10/100, Tiny-ImageNet, full ImageNet, CUB-200-2011, and Pascal VOC), with EPSD outperforming advanced pruning and SD techniques.

cs.LG↗

arXiv2024

Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing

There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but 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. Here we present a multi-modal molecule structure-text model, MoleculeSTM, by jointly learning molecules' chemical structures and textual descriptions via a contrastive learning strategy. To train MoleculeSTM, we construct a large multi-modal dataset, namely, PubChemSTM, with over 280,000 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 has 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.

cs.LG↗

arXiv2024

Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled

Deep generative models (DGMs) have been widely developed for graph data. However, much less investigation has been carried out on understanding the latent space of such pretrained graph DGMs. These understandings possess the potential to provide constructive guidelines for crucial tasks, such as graph controllable generation. Thus in this work, we are interested in studying this problem and propose GraphCG, a method for the unsupervised discovery of steerable factors in the latent space of pretrained graph DGMs. We first examine the representation space of three pretrained graph DGMs with six disentanglement metrics, and we observe that the pretrained representation space is entangled. Motivated by this observation, GraphCG learns the steerable factors via maximizing the mutual information between semantic-rich directions, where the controlled graph moving along the same direction will share the same steerable factors. We quantitatively verify that GraphCG outperforms four competitive baselines on two graph DGMs pretrained on two molecule datasets. Additionally, we qualitatively illustrate seven steerable factors learned by GraphCG on five pretrained DGMs over five graph datasets, including two for molecules and three for point clouds.

cs.LG↗

arXiv2024

Visual Robotic Manipulation with Depth-Aware Pretraining

Recent work on visual representation learning has shown to be efficient for robotic manipulation tasks. However, most existing works pretrained the visual backbone solely on 2D images or egocentric videos, ignoring the fact that robots learn to act in 3D space, which is hard to learn from 2D observation. In this paper, we examine the effectiveness of pretraining for vision backbone with public-available large-scale 3D data to improve manipulation policy learning. Our method, namely Depth-aware Pretraining for Robotics (DPR), enables an RGB-only backbone to learn 3D scene representations from self-supervised contrastive learning, where depth information serves as auxiliary knowledge. No 3D information is necessary during manipulation policy learning and inference, making our model enjoy both efficiency and effectiveness in 3D space manipulation. Furthermore, we introduce a new way to inject robots' proprioception into the policy networks that makes the manipulation model robust and generalizable. We demonstrate in experiments that our proposed framework improves performance on unseen objects and visual environments for various robotics tasks on both simulated and real robots.

cs.RO↗