Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation

High-throughput reaction condition (RC) screening is fundamental to chemical synthesis. However, current RC screening suffers from laborious and costly trial-and-error workflows. Traditional computer-aided synthesis planning (CASP) tools fail to find suitable RCs due to data sparsity and inadequate reaction representations. Nowadays, large language models (LLMs) are capable of tackling chemistry-related problems, such as molecule design, and chemical logic Q\&A tasks. However, LLMs have not yet achieved accurate predictions of chemical reaction conditions. Here, we present MM-RCR, a text-augmented multimodal LLM that learns a unified reaction representation from SMILES, reaction graphs, and textual corpus for chemical reaction recommendation (RCR). To train MM-RCR, we construct 1.2 million pair-wised Q\&A instruction datasets. Our experimental results demonstrate that MM-RCR achieves state-of-the-art performance on two open benchmark datasets and exhibits strong generalization capabilities on out-of-domain (OOD) and High-Throughput Experimentation (HTE) datasets. MM-RCR has the potential to accelerate high-throughput condition screening in chemical synthesis.

GraphAD: Interaction Scene Graph for End-to-end Autonomous Driving

Modeling complicated interactions among the ego-vehicle, road agents, and map elements has been a crucial part for safety-critical autonomous driving. Previous works on end-to-end autonomous driving rely on the attention mechanism for handling heterogeneous interactions, which fails to capture the geometric priors and is also computationally intensive. In this paper, we propose the Interaction Scene Graph (ISG) as a unified method to model the interactions among the ego-vehicle, road agents, and map elements. With the representation of the ISG, the driving agents aggregate essential information from the most influential elements, including the road agents with potential collisions and the map elements to follow. Since a mass of unnecessary interactions are omitted, the more efficient scene-graph-based framework is able to focus on indispensable connections and leads to better performance. We evaluate the proposed method for end-to-end autonomous driving on the nuScenes dataset. Compared with strong baselines, our method significantly outperforms in the full-stack driving tasks, including perception, prediction, and planning. Code will be released at https://github.com/zhangyp15/GraphAD.

A Unified Membership Inference Method for Visual Self-supervised Encoder via Part-aware Capability

Self-supervised learning shows promise in harnessing extensive unlabeled data, but it also confronts significant privacy concerns, especially in vision. In this paper, we aim to perform membership inference on visual self-supervised models in a more realistic setting: self-supervised training method and details are unknown for an adversary when attacking as he usually faces a black-box system in practice. In this setting, considering that self-supervised model could be trained by completely different self-supervised paradigms, e.g., masked image modeling and contrastive learning, with complex training details, we propose a unified membership inference method called PartCrop. It is motivated by the shared part-aware capability among models and stronger part response on the training data. Specifically, PartCrop crops parts of objects in an image to query responses with the image in representation space. We conduct extensive attacks on self-supervised models with different training protocols and structures using three widely used image datasets. The results verify the effectiveness and generalization of PartCrop. Moreover, to defend against PartCrop, we evaluate two common approaches, i.e., early stop and differential privacy, and propose a tailored method called shrinking crop scale range. The defense experiments indicate that all of them are effective. Our code is available at https://github.com/JiePKU/PartCrop

No Privacy Left Outside: On the Security of TEE-Shielded DNN Partition for On-Device ML

On-device ML introduces new security challenges: DNN models become white-box accessible to device users. Based on white-box information, adversaries can conduct effective model stealing (MS) and membership inference attack (MIA). Using Trusted Execution Environments (TEEs) to shield on-device DNN models aims to downgrade (easy) white-box attacks to (harder) black-box attacks. However, one major shortcoming is the sharply increased latency (up to 50X). To accelerate TEE-shield DNN computation with GPUs, researchers proposed several model partition techniques. These solutions, referred to as TEE-Shielded DNN Partition (TSDP), partition a DNN model into two parts, offloading the privacy-insensitive part to the GPU while shielding the privacy-sensitive part within the TEE. This paper benchmarks existing TSDP solutions using both MS and MIA across a variety of DNN models, datasets, and metrics. We show important findings that existing TSDP solutions are vulnerable to privacy-stealing attacks and are not as safe as commonly believed. We also unveil the inherent difficulty in deciding optimal DNN partition configurations (i.e., the highest security with minimal utility cost) for present TSDP solutions. The experiments show that such ``sweet spot'' configurations vary across datasets and models. Based on lessons harvested from the experiments, we present TEESlice, a novel TSDP method that defends against MS and MIA during DNN inference. TEESlice follows a partition-before-training strategy, which allows for accurate separation between privacy-related weights from public weights. TEESlice delivers the same security protection as shielding the entire DNN model inside TEE (the ``upper-bound'' security guarantees) with over 10X less overhead (in both experimental and real-world environments) than prior TSDP solutions and no accuracy loss.

Cross-Stream Contrastive Learning for Self-Supervised Skeleton-Based Action Recognition

Self-supervised skeleton-based action recognition enjoys a rapid growth along with the development of contrastive learning. The existing methods rely on imposing invariance to augmentations of 3D skeleton within a single data stream, which merely leverages the easy positive pairs and limits the ability to explore the complicated movement patterns. In this paper, we advocate that the defect of single-stream contrast and the lack of necessary feature transformation are responsible for easy positives, and therefore propose a Cross-Stream Contrastive Learning framework for skeleton-based action Representation learning (CSCLR). Specifically, the proposed CSCLR not only utilizes intra-stream contrast pairs, but introduces inter-stream contrast pairs as hard samples to formulate a better representation learning. Besides, to further exploit the potential of positive pairs and increase the robustness of self-supervised representation learning, we propose a Positive Feature Transformation (PFT) strategy which adopts feature-level manipulation to increase the variance of positive pairs. To validate the effectiveness of our method, we conduct extensive experiments on three benchmark datasets NTU-RGB+D 60, NTU-RGB+D 120 and PKU-MMD. Experimental results show that our proposed CSCLR exceeds the state-of-the-art methods on a diverse range of evaluation protocols.

Planning-inspired Hierarchical Trajectory Prediction for Autonomous Driving

Recently, anchor-based trajectory prediction methods have shown promising performance, which directly selects a final set of anchors as future intents in the spatio-temporal coupled space. However, such methods typically neglect a deeper semantic interpretation of path intents and suffer from inferior performance under the imperfect High-Definition (HD) map. To address this challenge, we propose a novel Planning-inspired Hierarchical (PiH) trajectory prediction framework that selects path and speed intents through a hierarchical lateral and longitudinal decomposition. Especially, a hybrid lateral predictor is presented to select a set of fixed-distance lateral paths from map-based road-following and cluster-based free-move path candidates. {Then, the subsequent longitudinal predictor selects plausible goals sampled from a set of lateral paths as speed intents.} Finally, a trajectory decoder is given to generate future trajectories conditioned on a categorical distribution over lateral-longitudinal intents. Experiments demonstrate that PiH achieves competitive and more balanced results against state-of-the-art methods on the Argoverse motion forecasting benchmark and has the strongest robustness under the imperfect HD map.

Active Learning with Effective Scoring Functions for Semi-Supervised Temporal Action Localization

Temporal Action Localization (TAL) aims to predict both action category and temporal boundary of action instances in untrimmed videos, i.e., start and end time. Fully-supervised solutions are usually adopted in most existing works, and proven to be effective. One of the practical bottlenecks in these solutions is the large amount of labeled training data required. To reduce expensive human label cost, this paper focuses on a rarely investigated yet practical task named semi-supervised TAL and proposes an effective active learning method, named AL-STAL. We leverage four steps for actively selecting video samples with high informativeness and training the localization model, named \emph{Train, Query, Annotate, Append}. Two scoring functions that consider the uncertainty of localization model are equipped in AL-STAL, thus facilitating the video sample rank and selection. One takes entropy of predicted label distribution as measure of uncertainty, named Temporal Proposal Entropy (TPE). And the other introduces a new metric based on mutual information between adjacent action proposals and evaluates the informativeness of video samples, named Temporal Context Inconsistency (TCI). To validate the effectiveness of proposed method, we conduct extensive experiments on two benchmark datasets THUMOS'14 and ActivityNet 1.3. Experiment results show that AL-STAL outperforms the existing competitors and achieves satisfying performance compared with fully-supervised learning.

Attentive pooling for Group Activity Recognition

In group activity recognition, hierarchical framework is widely adopted to represent the relationships between individuals and their corresponding group, and has achieved promising performance. However, the existing methods simply employed max/average pooling in this framework, which ignored the distinct contributions of different individuals to the group activity recognition. In this paper, we propose a new contextual pooling scheme, named attentive pooling, which enables the weighted information transition from individual actions to group activity. By utilizing the attention mechanism, the attentive pooling is intrinsically interpretable and able to embed member context into the existing hierarchical model. In order to verify the effectiveness of the proposed scheme, two specific attentive pooling methods, i.e., global attentive pooling (GAP) and hierarchical attentive pooling (HAP) are designed. GAP rewards the individuals that are significant to group activity, while HAP further considers the hierarchical division by introducing subgroup structure. The experimental results on the benchmark dataset demonstrate that our proposal is significantly superior beyond the baseline and is comparable to the state-of-the-art methods.

Diagnostic Communication and Visual System based on Vehicle UDS Protocol

Unified Diagnostic Services (UDS) is a diagnostic communication protocol used in electronic control units (ECUs) within automotive electronics, which is specified in the ISO 14229-1. It is derived from ISO 14230-3 (KWP2000) and the now obsolete ISO 15765-3 (Diagnostic Communication over Controller Area Network (DoCAN). 'Unified' in this context means that it is an international and not a company-specific standard. By now this communication protocol is used in all new ECUs made by Tier 1 suppliers of Original Equipment Manufacturer (OEM), and is incorporated into other standards, such as AUTOSAR. The ECUs in modern vehicles control nearly all functions, including electronic fuel injection (EFI), engine control, the transmission, anti-lock braking system, door locks, braking, window operation, and more.

Multi-scale 2D Representation Learning for weakly-supervised moment retrieval

Video moment retrieval aims to search the moment most relevant to a given language query. However, most existing methods in this community often require temporal boundary annotations which are expensive and time-consuming to label. Hence weakly supervised methods have been put forward recently by only using coarse video-level label. Despite effectiveness, these methods usually process moment candidates independently, while ignoring a critical issue that the natural temporal dependencies between candidates in different temporal scales. To cope with this issue, we propose a Multi-scale 2D Representation Learning method for weakly supervised video moment retrieval. Specifically, we first construct a two-dimensional map for each temporal scale to capture the temporal dependencies between candidates. Two dimensions in this map indicate the start and end time points of these candidates. Then, we select top-K candidates from each scale-varied map with a learnable convolutional neural network. With a newly designed Moments Evaluation Module, we obtain the alignment scores of the selected candidates. At last, the similarity between captions and language query is served as supervision for further training the candidates' selector. Experiments on two benchmark datasets Charades-STA and ActivityNet Captions demonstrate that our approach achieves superior performance to state-of-the-art results.