Multi-view biomedical foundation models for molecule-target and property prediction

Foundation models applied to bio-molecular space hold promise to accelerate drug discovery. Molecular representation is key to building such models. Previous works have typically focused on a single representation or view of the molecules. Here, we develop a multi-view foundation model approach, that integrates molecular views of graph, image and text. Single-view foundation models are each pre-trained on a dataset of up to 200M molecules and then aggregated into combined representations. Our multi-view model is validated on a diverse set of 18 tasks, encompassing ligand-protein binding, molecular solubility, metabolism and toxicity. We show that the multi-view models perform robustly and are able to balance the strengths and weaknesses of specific views. We then apply this model to screen compounds against a large (>100 targets) set of G Protein-Coupled receptors (GPCRs). From this library of targets, we identify 33 that are related to Alzheimer's disease. On this subset, we employ our model to identify strong binders, which are validated through structure-based modeling and identification of key binding motifs.

Corki: Enabling Real-time Embodied AI Robots via Algorithm-Architecture Co-Design

Embodied AI robots have the potential to fundamentally improve the way human beings live and manufacture. Continued progress in the burgeoning field of using large language models to control robots depends critically on an efficient computing substrate. In particular, today's computing systems for embodied AI robots are designed purely based on the interest of algorithm developers, where robot actions are divided into a discrete frame-basis. Such an execution pipeline creates high latency and energy consumption. This paper proposes Corki, an algorithm-architecture co-design framework for real-time embodied AI robot control. Our idea is to decouple LLM inference, robotic control and data communication in the embodied AI robots compute pipeline. Instead of predicting action for one single frame, Corki predicts the trajectory for the near future to reduce the frequency of LLM inference. The algorithm is coupled with a hardware that accelerates transforming trajectory into actual torque signals used to control robots and an execution pipeline that parallels data communication with computation. Corki largely reduces LLM inference frequency by up to 8.0x, resulting in up to 3.6x speed up. The success rate improvement can be up to 17.3%. Code is provided for re-implementation. https://github.com/hyy0613/Corki

VerilogReader: LLM-Aided Hardware Test Generation

Test generation has been a critical and labor-intensive process in hardware design verification. Recently, the emergence of Large Language Model (LLM) with their advanced understanding and inference capabilities, has introduced a novel approach. In this work, we investigate the integration of LLM into the Coverage Directed Test Generation (CDG) process, where the LLM functions as a Verilog Reader. It accurately grasps the code logic, thereby generating stimuli that can reach unexplored code branches. We compare our framework with random testing, using our self-designed Verilog benchmark suite. Experiments demonstrate that our framework outperforms random testing on designs within the LLM's comprehension scope. Our work also proposes prompt engineering optimizations to augment LLM's understanding scope and accuracy.

LLM-based Privacy Data Augmentation Guided by Knowledge Distillation with a Distribution Tutor for Medical Text Classification

As sufficient data are not always publically accessible for model training, researchers exploit limited data with advanced learning algorithms or expand the dataset via data augmentation (DA). Conducting DA in private domain requires private protection approaches (i.e. anonymization and perturbation), but those methods cannot provide protection guarantees. Differential privacy (DP) learning methods theoretically bound the protection but are not skilled at generating pseudo text samples with large models. In this paper, we transfer DP-based pseudo sample generation task to DP-based generated samples discrimination task, where we propose a DP-based DA method with a LLM and a DP-based discriminator for text classification on private domains. We construct a knowledge distillation model as the DP-based discriminator: teacher models, accessing private data, teaches students how to select private samples with calibrated noise to achieve DP. To constrain the distribution of DA's generation, we propose a DP-based tutor that models the noised private distribution and controls samples' generation with a low privacy cost. We theoretically analyze our model's privacy protection and empirically verify our model.

Uncovering the human motion pattern: Pattern Memory-based Diffusion Model for Trajectory Prediction

Human trajectory forecasting is a critical challenge in fields such as robotics and autonomous driving. Due to the inherent uncertainty of human actions and intentions in real-world scenarios, various unexpected occurrences may arise. To uncover latent motion patterns in human behavior, we introduce a novel memory-based method, named Motion Pattern Priors Memory Network. Our method involves constructing a memory bank derived from clustered prior knowledge of motion patterns observed in the training set trajectories. We introduce an addressing mechanism to retrieve the matched pattern and the potential target distributions for each prediction from the memory bank, which enables the identification and retrieval of natural motion patterns exhibited by agents, subsequently using the target priors memory token to guide the diffusion model to generate predictions. Extensive experiments validate the effectiveness of our approach, achieving state-of-the-art trajectory prediction accuracy. The code will be made publicly available.

Efficient Cloud-edge Collaborative Inference for Object Re-identification

Current object re-identification (ReID) system follows the centralized processing paradigm, i.e., all computations are conducted in the cloud server and edge devices are only used to capture and send images. As the number of videos experiences a rapid escalation, this paradigm has become impractical due to the finite computational resources. In such a scenario, the ReID system should be converted to fit in the cloud-edge collaborative processing paradigm, which is crucial to boost the scalability and practicality of ReID systems. However, current relevant work lacks research on this issue, making it challenging for ReID methods to be adapted effectively. Therefore, we pioneer a cloud-edge collaborative inference framework for ReID systems and particularly propose a distribution-aware correlation modeling network (DaCM) to make the desired image return to the cloud server as soon as possible via learning to model the spatial-temporal correlations among instances. DaCM embeds the spatial-temporal correlations implicitly included in the timestamps into a graph structure, and it can be applied in the cloud to regulate the size of the upload window and on the edge device to adjust the sequence of images, respectively. Traditional ReID methods can be combined with DaCM seamlessly, enabling their application within our proposed edge-cloud collaborative framework. Extensive experiments demonstrate that our method obviously reduces transmission overhead and significantly improves performance. We will release our code and model.

GROVE: A Retrieval-augmented Complex Story Generation Framework with A Forest of Evidence

Conditional story generation is significant in human-machine interaction, particularly in producing stories with complex plots. While Large language models (LLMs) perform well on multiple NLP tasks, including story generation, it is challenging to generate stories with both complex and creative plots. Existing methods often rely on detailed prompts to guide LLMs to meet target conditions, which inadvertently restrict the creative potential of the generated stories. We argue that leveraging information from exemplary human-written stories facilitates generating more diverse plotlines. Delving deeper into story details helps build complex and credible plots. In this paper, we propose a retrieval-au\textbf{G}mented sto\textbf{R}y generation framework with a f\textbf{O}rest of e\textbf{V}id\textbf{E}nce (GROVE) to enhance stories' complexity. We build a retrieval repository for target conditions to produce few-shot examples to prompt LLMs. Additionally, we design an ``asking-why'' prompting scheme that extracts a forest of evidence, providing compensation for the ambiguities that may occur in the generated story. This iterative process uncovers underlying story backgrounds. Finally, we select the most fitting chains of evidence from the evidence forest and integrate them into the generated story, thereby enhancing the narrative's complexity and credibility. Experimental results and numerous examples verify the effectiveness of our method.

FSD: An Initial Chinese Dataset for Fake Song Detection

Singing voice synthesis and singing voice conversion have significantly advanced, revolutionizing musical experiences. However, the rise of "Deepfake Songs" generated by these technologies raises concerns about authenticity. Unlike Audio DeepFake Detection (ADD), the field of song deepfake detection lacks specialized datasets or methods for song authenticity verification. In this paper, we initially construct a Chinese Fake Song Detection (FSD) dataset to investigate the field of song deepfake detection. The fake songs in the FSD dataset are generated by five state-of-the-art singing voice synthesis and singing voice conversion methods. Our initial experiments on FSD revealed the ineffectiveness of existing speech-trained ADD models for the task of song deepFake detection. Thus, we employ the FSD dataset for the training of ADD models. We subsequently evaluate these models under two scenarios: one with the original songs and another with separated vocal tracks. Experiment results show that song-trained ADD models exhibit a 38.58% reduction in average equal error rate compared to speech-trained ADD models on the FSD test set.

RBDCore: Robot Rigid Body Dynamics Accelerator with Multifunctional Pipelines

Rigid body dynamics is a key technology in the robotics field. In trajectory optimization and model predictive control algorithms, there are usually a large number of rigid body dynamics computing tasks. Using CPUs to process these tasks consumes a lot of time, which will affect the real-time performance of robots. To this end, we propose a multifunctional robot rigid body dynamics accelerator, named RBDCore, to address the performance bottleneck. By analyzing different functions commonly used in robot dynamics calculations, we summarize their reuse relationship and optimize them according to the hardware. Based on this, RBDCore can fully reuse common hardware modules when processing different computing tasks. By dynamically switching the dataflow path, RBDCore can accelerate various dynamics functions without reconfiguring the hardware. We design Structure-Adaptive Pipelines for RBDCore, which can greatly improve the throughput of the accelerator. Robots with different structures and parameters can be optimized specifically. Compared with the state-of-the-art CPU, GPU dynamics libraries and FPGA accelerator, RBDCore can significantly improve the performance.

Accelerating Magnetic Resonance Parametric Mapping Using Simultaneously Spatial Patch-based and Parametric Group-based Low-rank Tensors (SMART)

Quantitative magnetic resonance (MR) parametric mapping is a promising approach for characterizing intrinsic tissue-dependent information. However, long scan time significantly hinders its widespread applications. Recently, low-rank tensor has been employed and demonstrated good performance in accelerating MR parametricmapping. In this study, we propose a novel method that uses spatial patch-based and parametric group-based low rank tensors simultaneously (SMART) to reconstruct images from highly undersampled k-space data. The spatial patch-based low-rank tensor exploits the high local and nonlocal redundancies and similarities between the contrast images in parametric mapping. The parametric group based low-rank tensor, which integrates similar exponential behavior of the image signals, is jointly used to enforce the multidimensional low-rankness in the reconstruction process. In vivo brain datasets were used to demonstrate the validity of the proposed method. Experimental results have demonstrated that the proposed method achieves 11.7-fold and 13.21-fold accelerations in two-dimensional and three-dimensional acquisitions, respectively, with more accurate reconstructed images and maps than several state-of-the-art methods. Prospective reconstruction results further demonstrate the capability of the SMART method in accelerating MR quantitative imaging.