Massachusetts Institute of Technology USA
Abstract:Online reinforcement learning (RL) enhances policies through direct interactions with the environment, but faces challenges related to sample efficiency. In contrast, offline RL leverages extensive pre-collected data to learn policies, but often produces suboptimal results due to limited data coverage. Recent efforts have sought to integrate offline and online RL in order to harness the advantages of both approaches. However, effectively combining online and offline RL remains challenging due to issues that include catastrophic forgetting, lack of robustness and sample efficiency. In an effort to address these challenges, we introduce A3 RL , a novel method that actively selects data from combined online and offline sources to optimize policy improvement. We provide theoretical guarantee that validates the effectiveness our active sampling strategy and conduct thorough empirical experiments showing that our method outperforms existing state-of-the-art online RL techniques that utilize offline data. Our code will be publicly available at: https://github.com/xuefeng-cs/A3RL.
Abstract:Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug optimization LLM-based generative model, enhancing the original drug across target objectives, while retains the beneficial chemical properties of the original drug. This work is comprised of two primary components: (1) DrugImprover: A framework tailored for improving robustness and efficiency in drug optimization. It includes a LLM designed for drug optimization and a novel Structured Policy Optimization (SPO) algorithm, which is theoretically grounded. This algorithm offers a unique perspective for fine-tuning the LLM-based generative model by aligning the improvement of the generated molecule with the input molecule under desired objectives. (2) A dataset of 1 million compounds, each with OEDOCK docking scores on 5 human proteins associated with cancer cells and 24 binding sites from SARS-CoV-2 virus. We conduct a comprehensive evaluation of SPO and demonstrate its effectiveness in improving the original drug across target properties. Our code and dataset will be publicly available at: https://github.com/xuefeng-cs/DrugImproverGPT.
Abstract:Low-rank Adaptation (LoRA) has demonstrated remarkable capabilities for task specific fine-tuning. However, in scenarios that involve multiple tasks, training a separate LoRA model for each one results in considerable inefficiency in terms of storage and inference. Moreover, existing parameter generation methods fail to capture the correlations among these tasks, making multi-task LoRA parameter generation challenging. To address these limitations, we propose In-Context Meta LoRA (ICM-LoRA), a novel approach that efficiently achieves task-specific customization of large language models (LLMs). Specifically, we use training data from all tasks to train a tailored generator, Conditional Variational Autoencoder (CVAE). CVAE takes task descriptions as inputs and produces task-aware LoRA weights as outputs. These LoRA weights are then merged with LLMs to create task-specialized models without the need for additional fine-tuning. Furthermore, we utilize in-context meta-learning for knowledge enhancement and task mapping, to capture the relationship between tasks and parameter distributions. As a result, our method achieves more accurate LoRA parameter generation for diverse tasks using CVAE. ICM-LoRA enables more accurate LoRA parameter reconstruction than current parameter reconstruction methods and is useful for implementing task-specific enhancements of LoRA parameters. At the same time, our method occupies 283MB, only 1\% storage compared with the original LoRA.
Abstract:Generating comics through text is widely studied. However, there are few studies on generating multi-panel Manga (Japanese comics) solely based on plain text. Japanese manga contains multiple panels on a single page, with characteristics such as coherence in storytelling, reasonable and diverse page layouts, consistency in characters, and semantic correspondence between panel drawings and panel scripts. Therefore, generating manga poses a significant challenge. This paper presents the manga generation task and constructs the Manga109Story dataset for studying manga generation solely from plain text. Additionally, we propose MangaDiffusion to facilitate the intra-panel and inter-panel information interaction during the manga generation process. The results show that our method particularly ensures the number of panels, reasonable and diverse page layouts. Based on our approach, there is potential to converting a large amount of textual stories into more engaging manga readings, leading to significant application prospects.
Abstract:Ultra-wideband (UWB) is gaining popularity with devices like AirTags for precise home item localization but faces significant challenges when scaled to large environments like seaports. The main challenges are calibration and localization in obstructed conditions, which are common in logistics environments. Traditional calibration methods, dependent on line-of-sight (LoS), are slow, costly, and unreliable in seaports and warehouses, making large-scale localization a significant pain point in the industry. To overcome these challenges, we propose a UWB-LiDAR fusion-based calibration and one-shot localization framework. Our method uses Gaussian Processes to estimate anchor position from continuous-time LiDAR Inertial Odometry with sampled UWB ranges. This approach ensures accurate and reliable calibration with just one round of sampling in large-scale areas, I.e., 600x450 square meter. With the LoS issues, UWB-only localization can be problematic, even when anchor positions are known. We demonstrate that by applying a UWB-range filter, the search range for LiDAR loop closure descriptors is significantly reduced, improving both accuracy and speed. This concept can be applied to other loop closure detection methods, enabling cost-effective localization in large-scale warehouses and seaports. It significantly improves precision in challenging environments where UWB-only and LiDAR-Inertial methods fall short, as shown in the video \url{https://youtu.be/oY8jQKdM7lU }. We will open-source our datasets and calibration codes for community use.
Abstract:Skeleton-based action recognition using GCNs has achieved remarkable performance, but recognizing ambiguous actions, such as "waving" and "saluting", remains a significant challenge. Existing methods typically rely on a serial combination of GCNs and TCNs, where spatial and temporal features are extracted independently, leading to an unbalanced spatial-temporal information, which hinders accurate action recognition. Moreover, existing methods for ambiguous actions often overemphasize local details, resulting in the loss of crucial global context, which further complicates the task of differentiating ambiguous actions. To address these challenges, we propose a lightweight plug-and-play module called Synchronized and Fine-grained Head (SF-Head), inserted between GCN and TCN layers. SF-Head first conducts Synchronized Spatial-Temporal Extraction (SSTE) with a Feature Redundancy Loss (F-RL), ensuring a balanced interaction between the two types of features. It then performs Adaptive Cross-dimensional Feature Aggregation (AC-FA), with a Feature Consistency Loss (F-CL), which aligns the aggregated feature with their original spatial-temporal feature. This aggregation step effectively combines both global context and local details. Experimental results on NTU RGB+D 60, NTU RGB+D 120, and NW-UCLA datasets demonstrate significant improvements in distinguishing ambiguous actions. Our code will be made available at https://github.com/HaoHuang2003/SFHead.
Abstract:The creation of 3D scenes has traditionally been both labor-intensive and costly, requiring designers to meticulously configure 3D assets and environments. Recent advancements in generative AI, including text-to-3D and image-to-3D methods, have dramatically reduced the complexity and cost of this process. However, current techniques for editing complex 3D scenes continue to rely on generally interactive multi-step, 2D-to-3D projection methods and diffusion-based techniques, which often lack precision in control and hamper real-time performance. In this work, we propose 3DSceneEditor, a fully 3D-based paradigm for real-time, precise editing of intricate 3D scenes using Gaussian Splatting. Unlike conventional methods, 3DSceneEditor operates through a streamlined 3D pipeline, enabling direct manipulation of Gaussians for efficient, high-quality edits based on input prompts.The proposed framework (i) integrates a pre-trained instance segmentation model for semantic labeling; (ii) employs a zero-shot grounding approach with CLIP to align target objects with user prompts; and (iii) applies scene modifications, such as object addition, repositioning, recoloring, replacing, and deletion directly on Gaussians. Extensive experimental results show that 3DSceneEditor achieves superior editing precision and speed with respect to current SOTA 3D scene editing approaches, establishing a new benchmark for efficient and interactive 3D scene customization.
Abstract:Recent advancements in Large Language Models (LLMs) have opened new avenues for accelerating drug discovery processes. Despite their potential, several critical challenges remain unsolved, particularly in translating theoretical ideas into practical applications within the highly specialized field of pharmaceutical research, limiting practitioners from leveraging the latest AI development in drug discovery. To this end, we introduce DrugAgent, a multi-agent framework aimed at automating machine learning (ML) programming in drug discovery. DrugAgent incorporates domain expertise by identifying specific requirements and building domain-specific tools, while systematically exploring different ideas to find effective solutions. A preliminary case study demonstrates DrugAgent's potential to overcome key limitations LLMs face in drug discovery, moving toward AI-driven innovation. For example, DrugAgent is able to complete the ML programming pipeline end-to-end, from data acquisition to performance evaluation for the ADMET prediction task, and finally select the best model, where the random forest model achieves an F1 score of 0.92 when predicting absorption using the PAMPA dataset.
Abstract:Depth estimation is a crucial technology in robotics. Recently, self-supervised depth estimation methods have demonstrated great potential as they can efficiently leverage large amounts of unlabelled real-world data. However, most existing methods are designed under the assumption of static scenes, which hinders their adaptability in dynamic environments. To address this issue, we present D$^3$epth, a novel method for self-supervised depth estimation in dynamic scenes. It tackles the challenge of dynamic objects from two key perspectives. First, within the self-supervised framework, we design a reprojection constraint to identify regions likely to contain dynamic objects, allowing the construction of a dynamic mask that mitigates their impact at the loss level. Second, for multi-frame depth estimation, we introduce a cost volume auto-masking strategy that leverages adjacent frames to identify regions associated with dynamic objects and generate corresponding masks. This provides guidance for subsequent processes. Furthermore, we propose a spectral entropy uncertainty module that incorporates spectral entropy to guide uncertainty estimation during depth fusion, effectively addressing issues arising from cost volume computation in dynamic environments. Extensive experiments on KITTI and Cityscapes datasets demonstrate that the proposed method consistently outperforms existing self-supervised monocular depth estimation baselines. Code is available at \url{https://github.com/Csyunling/D3epth}.
Abstract:Large language models (LLMs) show impressive performance in solving complex languagetasks. However, its large number of parameterspresent significant challenges for the deployment and application of the model on edge devices. Compressing large language models to low bits can enable them to run on resource-constrained devices, often leading to performance degradation. To address this problem, we propose gradient-aware weight quantization (GWQ), the first quantization approach for low-bit weight quantization that leverages gradients to localize outliers, requiring only a minimal amount of calibration data for outlier detection. GWQ retains the weights corresponding to the top 1% outliers preferentially at FP16 precision, while the remaining non-outlier weights are stored in a low-bit format. GWQ found experimentally that utilizing the sensitive weights in the gradient localization model is more scientific compared to utilizing the sensitive weights in the Hessian matrix localization model. Compared to current quantization methods, GWQ can be applied to multiple language models and achieves lower PPL on the WikiText2 and C4 dataset. In the zero-shot task, GWQ quantized models have higher accuracy compared to other quantization methods.GWQ is also suitable for multimodal model quantization, and the quantized Qwen-VL family model is more accurate than other methods. zero-shot target detection task dataset RefCOCO outperforms the current stat-of-the-arts method SPQR. GWQ achieves 1.2x inference speedup in comparison to the original model, and effectively reduces the inference memory.