Robust Guided Diffusion for Offline Black-Box Optimization

Offline black-box optimization aims to maximize a black-box function using an offline dataset of designs and their measured properties. Two main approaches have emerged: the forward approach, which learns a mapping from input to its value, thereby acting as a proxy to guide optimization, and the inverse approach, which learns a mapping from value to input for conditional generation. (a) Although proxy-free~(classifier-free) diffusion shows promise in robustly modeling the inverse mapping, it lacks explicit guidance from proxies, essential for generating high-performance samples beyond the training distribution. Therefore, we propose \textit{proxy-enhanced sampling} which utilizes the explicit guidance from a trained proxy to bolster proxy-free diffusion with enhanced sampling control. (b) Yet, the trained proxy is susceptible to out-of-distribution issues. To address this, we devise the module \textit{diffusion-based proxy refinement}, which seamlessly integrates insights from proxy-free diffusion back into the proxy for refinement. To sum up, we propose \textit{\textbf{R}obust \textbf{G}uided \textbf{D}iffusion for Offline Black-box Optimization}~(\textbf{RGD}), combining the advantages of proxy~(explicit guidance) and proxy-free diffusion~(robustness) for effective conditional generation. RGD achieves state-of-the-art results on various design-bench tasks, underscoring its efficacy. Our code is at https://anonymous.4open.science/r/RGD-27A5/README.md.

Synthetic imagery for fuzzy object detection: A comparative study

The fuzzy object detection is a challenging field of research in computer vision (CV). Distinguishing between fuzzy and non-fuzzy object detection in CV is important. Fuzzy objects such as fire, smoke, mist, and steam present significantly greater complexities in terms of visual features, blurred edges, varying shapes, opacity, and volume compared to non-fuzzy objects such as trees and cars. Collection of a balanced and diverse dataset and accurate annotation is crucial to achieve better ML models for fuzzy objects, however, the task of collection and annotation is still highly manual. In this research, we propose and leverage an alternative method of generating and automatically annotating fully synthetic fire images based on 3D models for training an object detection model. Moreover, the performance, and efficiency of the trained ML models on synthetic images is compared with ML models trained on real imagery and mixed imagery. Findings proved the effectiveness of the synthetic data for fire detection, while the performance improves as the test dataset covers a broader spectrum of real fires. Our findings illustrates that when synthetic imagery and real imagery is utilized in a mixed training set the resulting ML model outperforms models trained on real imagery as well as models trained on synthetic imagery for detection of a broad spectrum of fires. The proposed method for automating the annotation of synthetic fuzzy objects imagery carries substantial implications for reducing both time and cost in creating computer vision models specifically tailored for detecting fuzzy objects.

OCTCube: A 3D foundation model for optical coherence tomography that improves cross-dataset, cross-disease, cross-device and cross-modality analysis

Optical coherence tomography (OCT) has become critical for diagnosing retinal diseases as it enables 3D images of the retina and optic nerve. OCT acquisition is fast, non-invasive, affordable, and scalable. Due to its broad applicability, massive numbers of OCT images have been accumulated in routine exams, making it possible to train large-scale foundation models that can generalize to various diagnostic tasks using OCT images. Nevertheless, existing foundation models for OCT only consider 2D image slices, overlooking the rich 3D structure. Here, we present OCTCube, a 3D foundation model pre-trained on 26,605 3D OCT volumes encompassing 1.62 million 2D OCT images. OCTCube is developed based on 3D masked autoencoders and exploits FlashAttention to reduce the larger GPU memory usage caused by modeling 3D volumes. OCTCube outperforms 2D models when predicting 8 retinal diseases in both inductive and cross-dataset settings, indicating that utilizing the 3D structure in the model instead of 2D data results in significant improvement. OCTCube further shows superior performance on cross-device prediction and when predicting systemic diseases, such as diabetes and hypertension, further demonstrating its strong generalizability. Finally, we propose a contrastive-self-supervised-learning-based OCT-IR pre-training framework (COIP) for cross-modality analysis on OCT and infrared retinal (IR) images, where the OCT volumes are embedded using OCTCube. We demonstrate that COIP enables accurate alignment between OCT and IR en face images. Collectively, OCTCube, a 3D OCT foundation model, demonstrates significantly better performance against 2D models on 27 out of 29 tasks and comparable performance on the other two tasks, paving the way for AI-based retinal disease diagnosis.

ManiFoundation Model for General-Purpose Robotic Manipulation of Contact Synthesis with Arbitrary Objects and Robots

To substantially enhance robot intelligence, there is a pressing need to develop a large model that enables general-purpose robots to proficiently undertake a broad spectrum of manipulation tasks, akin to the versatile task-planning ability exhibited by LLMs. The vast diversity in objects, robots, and manipulation tasks presents huge challenges. Our work introduces a comprehensive framework to develop a foundation model for general robotic manipulation that formalizes a manipulation task as contact synthesis. Specifically, our model takes as input object and robot manipulator point clouds, object physical attributes, target motions, and manipulation region masks. It outputs contact points on the object and associated contact forces or post-contact motions for robots to achieve the desired manipulation task. We perform extensive experiments both in the simulation and real-world settings, manipulating articulated rigid objects, rigid objects, and deformable objects that vary in dimensionality, ranging from one-dimensional objects like ropes to two-dimensional objects like cloth and extending to three-dimensional objects such as plasticine. Our model achieves average success rates of around 90\%. Supplementary materials and videos are available on our project website at https://manifoundationmodel.github.io/.

Enhancing LLM Safety via Constrained Direct Preference Optimization

The rapidly increasing capabilities of large language models (LLMs) raise an urgent need to align AI systems with diverse human preferences to simultaneously enhance their usefulness and safety, despite the often conflicting nature of these goals. To address this important problem, a promising approach is to enforce a safety constraint at the fine-tuning stage through a constrained Reinforcement Learning from Human Feedback (RLHF) framework. This approach, however, is computationally expensive and often unstable. In this work, we introduce Constrained DPO (C-DPO), a novel extension of the recently proposed Direct Preference Optimization (DPO) approach for fine-tuning LLMs that is both efficient and lightweight. By integrating dual gradient descent and DPO, our method identifies a nearly optimal trade-off between helpfulness and harmlessness without using reinforcement learning. Empirically, our approach provides a safety guarantee to LLMs that is missing in DPO while achieving significantly higher rewards under the same safety constraint compared to a recently proposed safe RLHF approach. Warning: This paper contains example data that may be offensive or harmful.

T-Rex: Text-assisted Retrosynthesis Prediction

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule, which often cannot generalize well to rare reaction types and large molecules. Here, we propose T-Rex, a text-assisted retrosynthesis prediction approach that exploits pre-trained text language models, such as ChatGPT, to assist the generation of reactants. T-Rex first exploits ChatGPT to generate a description for the target molecule and rank candidate reaction centers based both the description and the molecular graph. It then re-ranks these candidates by querying the descriptions for each reactants and examines which group of reactants can best synthesize the target molecule. We observed that T-Rex substantially outperformed graph-based state-of-the-art approaches on two datasets, indicating the effectiveness of considering text information. We further found that T-Rex outperformed the variant that only use ChatGPT-based description without the re-ranking step, demonstrate how our framework outperformed a straightforward integration of ChatGPT and graph information. Collectively, we show that text generated by pre-trained language models can substantially improve retrosynthesis prediction, opening up new avenues for exploiting ChatGPT to advance computational chemistry. And the codes can be found at https://github.com/lauyikfung/T-Rex.

Underwater motions analysis and control of a coupling-tiltable unmanned aerial-aquatic quadrotor

This paper proposes a method for analyzing a series of potential motions in a coupling-tiltable aerial-aquatic quadrotor based on its nonlinear dynamics. Some characteristics and constraints derived by this method are specified as Singular Thrust Tilt Angles (STTAs), utilizing to generate motions including planar motions. A switch-based control scheme addresses issues of control direction uncertainty inherent to the mechanical structure by incorporating a saturated Nussbaum function. A high-fidelity simulation environment incorporating a comprehensive hydrodynamic model is built based on a Hardware-In-The-Loop (HITL) setup with Gazebo and a flight control board. The experiments validate the effectiveness of the absolute and quasi planar motions, which cannot be achieved by conventional quadrotors, and demonstrate stable performance when the pitch or roll angle is activated in the auxiliary control channel.

Enhancing Cross-Dataset Performance of Distracted Driving Detection With Score-Softmax Classifier

Deep neural networks enable real-time monitoring of in-vehicle driver, facilitating the timely prediction of distractions, fatigue, and potential hazards. This technology is now integral to intelligent transportation systems. Recent research has exposed unreliable cross-dataset end-to-end driver behavior recognition due to overfitting, often referred to as ``shortcut learning", resulting from limited data samples. In this paper, we introduce the Score-Softmax classifier, which addresses this issue by enhancing inter-class independence and Intra-class uncertainty. Motivated by human rating patterns, we designed a two-dimensional supervisory matrix based on marginal Gaussian distributions to train the classifier. Gaussian distributions help amplify intra-class uncertainty while ensuring the Score-Softmax classifier learns accurate knowledge. Furthermore, leveraging the summation of independent Gaussian distributed random variables, we introduced a multi-channel information fusion method. This strategy effectively resolves the multi-information fusion challenge for the Score-Softmax classifier. Concurrently, we substantiate the necessity of transfer learning and multi-dataset combination. We conducted cross-dataset experiments using the SFD, AUCDD-V1, and 100-Driver datasets, demonstrating that Score-Softmax improves cross-dataset performance without modifying the model architecture. This provides a new approach for enhancing neural network generalization. Additionally, our information fusion approach outperforms traditional methods.

Revisiting Plasticity in Visual Reinforcement Learning: Data, Modules and Training Stages

Plasticity, the ability of a neural network to evolve with new data, is crucial for high-performance and sample-efficient visual reinforcement learning (VRL). Although methods like resetting and regularization can potentially mitigate plasticity loss, the influences of various components within the VRL framework on the agent's plasticity are still poorly understood. In this work, we conduct a systematic empirical exploration focusing on three primary underexplored facets and derive the following insightful conclusions: (1) data augmentation is essential in maintaining plasticity; (2) the critic's plasticity loss serves as the principal bottleneck impeding efficient training; and (3) without timely intervention to recover critic's plasticity in the early stages, its loss becomes catastrophic. These insights suggest a novel strategy to address the high replay ratio (RR) dilemma, where exacerbated plasticity loss hinders the potential improvements of sample efficiency brought by increased reuse frequency. Rather than setting a static RR for the entire training process, we propose Adaptive RR, which dynamically adjusts the RR based on the critic's plasticity level. Extensive evaluations indicate that Adaptive RR not only avoids catastrophic plasticity loss in the early stages but also benefits from more frequent reuse in later phases, resulting in superior sample efficiency.

ForeSeer: Product Aspect Forecasting Using Temporal Graph Embedding

Developing text mining approaches to mine aspects from customer reviews has been well-studied due to its importance in understanding customer needs and product attributes. In contrast, it remains unclear how to predict the future emerging aspects of a new product that currently has little review information. This task, which we named product aspect forecasting, is critical for recommending new products, but also challenging because of the missing reviews. Here, we propose ForeSeer, a novel textual mining and product embedding approach progressively trained on temporal product graphs for this novel product aspect forecasting task. ForeSeer transfers reviews from similar products on a large product graph and exploits these reviews to predict aspects that might emerge in future reviews. A key novelty of our method is to jointly provide review, product, and aspect embeddings that are both time-sensitive and less affected by extremely imbalanced aspect frequencies. We evaluated ForeSeer on a real-world product review system containing 11,536,382 reviews and 11,000 products over 3 years. We observe that ForeSeer substantially outperformed existing approaches with at least 49.1\% AUPRC improvement under the real setting where aspect associations are not given. ForeSeer further improves future link prediction on the product graph and the review aspect association prediction. Collectively, Foreseer offers a novel framework for review forecasting by effectively integrating review text, product network, and temporal information, opening up new avenues for online shopping recommendation and e-commerce applications.