FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning

Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, the large feasible model space of MRL poses significant challenges to benchmarking, and existing MRL frameworks face limitations in flexibility and scope. To address these challenges, avoid repetitive coding efforts, and ensure fair comparison of models, we introduce FlexMol, a comprehensive toolkit designed to facilitate the construction and evaluation of diverse model architectures across various datasets and performance metrics. FlexMol offers a robust suite of preset model components, including 16 drug encoders, 13 protein sequence encoders, 9 protein structure encoders, and 7 interaction layers. With its easy-to-use API and flexibility, FlexMol supports the dynamic construction of over 70, 000 distinct combinations of model architectures. Additionally, we provide detailed benchmark results and code examples to demonstrate FlexMol's effectiveness in simplifying and standardizing MRL model development and comparison.

Physics-informed Neural Mapping and Motion Planning in Unknown Environments

Mapping and motion planning are two essential elements of robot intelligence that are interdependent in generating environment maps and navigating around obstacles. The existing mapping methods create maps that require computationally expensive motion planning tools to find a path solution. In this paper, we propose a new mapping feature called arrival time fields, which is a solution to the Eikonal equation. The arrival time fields can directly guide the robot in navigating the given environments. Therefore, this paper introduces a new approach called Active Neural Time Fields (Active NTFields), which is a physics-informed neural framework that actively explores the unknown environment and maps its arrival time field on the fly for robot motion planning. Our method does not require any expert data for learning and uses neural networks to directly solve the Eikonal equation for arrival time field mapping and motion planning. We benchmark our approach against state-of-the-art mapping and motion planning methods and demonstrate its superior performance in both simulated and real-world environments with a differential drive robot and a 6 degrees-of-freedom (DOF) robot manipulator. The supplementary videos can be found at https://youtu.be/qTPL5a6pRKk, and the implementation code repository is available at https://github.com/Rtlyc/antfields-demo.

Detecting, Explaining, and Mitigating Memorization in Diffusion Models

Recent breakthroughs in diffusion models have exhibited exceptional image-generation capabilities. However, studies show that some outputs are merely replications of training data. Such replications present potential legal challenges for model owners, especially when the generated content contains proprietary information. In this work, we introduce a straightforward yet effective method for detecting memorized prompts by inspecting the magnitude of text-conditional predictions. Our proposed method seamlessly integrates without disrupting sampling algorithms, and delivers high accuracy even at the first generation step, with a single generation per prompt. Building on our detection strategy, we unveil an explainable approach that shows the contribution of individual words or tokens to memorization. This offers an interactive medium for users to adjust their prompts. Moreover, we propose two strategies i.e., to mitigate memorization by leveraging the magnitude of text-conditional predictions, either through minimization during inference or filtering during training. These proposed strategies effectively counteract memorization while maintaining high-generation quality. Code is available at https://github.com/YuxinWenRick/diffusion_memorization.

Digital Twin-Assisted Data-Driven Optimization for Reliable Edge Caching in Wireless Networks

Optimizing edge caching is crucial for the advancement of next-generation (nextG) wireless networks, ensuring high-speed and low-latency services for mobile users. Existing data-driven optimization approaches often lack awareness of the distribution of random data variables and focus solely on optimizing cache hit rates, neglecting potential reliability concerns, such as base station overload and unbalanced cache issues. This oversight can result in system crashes and degraded user experience. To bridge this gap, we introduce a novel digital twin-assisted optimization framework, called D-REC, which integrates reinforcement learning (RL) with diverse intervention modules to ensure reliable caching in nextG wireless networks. We first develop a joint vertical and horizontal twinning approach to efficiently create network digital twins, which are then employed by D-REC as RL optimizers and safeguards, providing ample datasets for training and predictive evaluation of our cache replacement policy. By incorporating reliability modules into a constrained Markov decision process, D-REC can adaptively adjust actions, rewards, and states to comply with advantageous constraints, minimizing the risk of network failures. Theoretical analysis demonstrates comparable convergence rates between D-REC and vanilla data-driven methods without compromising caching performance. Extensive experiments validate that D-REC outperforms conventional approaches in cache hit rate and load balancing while effectively enforcing predetermined reliability intervention modules.

Byzantine-Robust Decentralized Federated Learning

Federated learning (FL) enables multiple clients to collaboratively train machine learning models without revealing their private training data. In conventional FL, the system follows the server-assisted architecture (server-assisted FL), where the training process is coordinated by a central server. However, the server-assisted FL framework suffers from poor scalability due to a communication bottleneck at the server, and trust dependency issues. To address challenges, decentralized federated learning (DFL) architecture has been proposed to allow clients to train models collaboratively in a serverless and peer-to-peer manner. However, due to its fully decentralized nature, DFL is highly vulnerable to poisoning attacks, where malicious clients could manipulate the system by sending carefully-crafted local models to their neighboring clients. To date, only a limited number of Byzantine-robust DFL methods have been proposed, most of which are either communication-inefficient or remain vulnerable to advanced poisoning attacks. In this paper, we propose a new algorithm called BALANCE (Byzantine-robust averaging through local similarity in decentralization) to defend against poisoning attacks in DFL. In BALANCE, each client leverages its own local model as a similarity reference to determine if the received model is malicious or benign. We establish the theoretical convergence guarantee for BALANCE under poisoning attacks in both strongly convex and non-convex settings. Furthermore, the convergence rate of BALANCE under poisoning attacks matches those of the state-of-the-art counterparts in Byzantine-free settings. Extensive experiments also demonstrate that BALANCE outperforms existing DFL methods and effectively defends against poisoning attacks.

Self-Modifying State Modeling for Simultaneous Machine Translation

Simultaneous Machine Translation (SiMT) generates target outputs while receiving stream source inputs and requires a read/write policy to decide whether to wait for the next source token or generate a new target token, whose decisions form a \textit{decision path}. Existing SiMT methods, which learn the policy by exploring various decision paths in training, face inherent limitations. These methods not only fail to precisely optimize the policy due to the inability to accurately assess the individual impact of each decision on SiMT performance, but also cannot sufficiently explore all potential paths because of their vast number. Besides, building decision paths requires unidirectional encoders to simulate streaming source inputs, which impairs the translation quality of SiMT models. To solve these issues, we propose \textbf{S}elf-\textbf{M}odifying \textbf{S}tate \textbf{M}odeling (SM$^2$), a novel training paradigm for SiMT task. Without building decision paths, SM$^2$ individually optimizes decisions at each state during training. To precisely optimize the policy, SM$^2$ introduces Self-Modifying process to independently assess and adjust decisions at each state. For sufficient exploration, SM$^2$ proposes Prefix Sampling to efficiently traverse all potential states. Moreover, SM$^2$ ensures compatibility with bidirectional encoders, thus achieving higher translation quality. Experiments show that SM$^2$ outperforms strong baselines. Furthermore, SM$^2$ allows offline machine translation models to acquire SiMT ability with fine-tuning.

Seed-TTS: A Family of High-Quality Versatile Speech Generation Models

We introduce Seed-TTS, a family of large-scale autoregressive text-to-speech (TTS) models capable of generating speech that is virtually indistinguishable from human speech. Seed-TTS serves as a foundation model for speech generation and excels in speech in-context learning, achieving performance in speaker similarity and naturalness that matches ground truth human speech in both objective and subjective evaluations. With fine-tuning, we achieve even higher subjective scores across these metrics. Seed-TTS offers superior controllability over various speech attributes such as emotion and is capable of generating highly expressive and diverse speech for speakers in the wild. Furthermore, we propose a self-distillation method for speech factorization, as well as a reinforcement learning approach to enhance model robustness, speaker similarity, and controllability. We additionally present a non-autoregressive (NAR) variant of the Seed-TTS model, named $\text{Seed-TTS}_\text{DiT}$, which utilizes a fully diffusion-based architecture. Unlike previous NAR-based TTS systems, $\text{Seed-TTS}_\text{DiT}$ does not depend on pre-estimated phoneme durations and performs speech generation through end-to-end processing. We demonstrate that this variant achieves comparable performance to the language model-based variant and showcase its effectiveness in speech editing. We encourage readers to listen to demos at \url{https://bytedancespeech.github.io/seedtts_tech_report}.

SNED: Superposition Network Architecture Search for Efficient Video Diffusion Model

While AI-generated content has garnered significant attention, achieving photo-realistic video synthesis remains a formidable challenge. Despite the promising advances in diffusion models for video generation quality, the complex model architecture and substantial computational demands for both training and inference create a significant gap between these models and real-world applications. This paper presents SNED, a superposition network architecture search method for efficient video diffusion model. Our method employs a supernet training paradigm that targets various model cost and resolution options using a weight-sharing method. Moreover, we propose the supernet training sampling warm-up for fast training optimization. To showcase the flexibility of our method, we conduct experiments involving both pixel-space and latent-space video diffusion models. The results demonstrate that our framework consistently produces comparable results across different model options with high efficiency. According to the experiment for the pixel-space video diffusion model, we can achieve consistent video generation results simultaneously across 64 x 64 to 256 x 256 resolutions with a large range of model sizes from 640M to 1.6B number of parameters for pixel-space video diffusion models.

Online Analytic Exemplar-Free Continual Learning with Large Models for Imbalanced Autonomous Driving Task

In the field of autonomous driving, even a meticulously trained model can encounter failures when faced with unfamiliar sceanrios. One of these scenarios can be formulated as an online continual learning (OCL) problem. That is, data come in an online fashion, and models are updated according to these streaming data. Two major OCL challenges are catastrophic forgetting and data imbalance. To address these challenges, in this paper, we propose an Analytic Exemplar-Free Online Continual Learning (AEF-OCL). The AEF-OCL leverages analytic continual learning principles and employs ridge regression as a classifier for features extracted by a large backbone network. It solves the OCL problem by recursively calculating the analytical solution, ensuring an equalization between the continual learning and its joint-learning counterpart, and works without the need to save any used samples (i.e., exemplar-free). Additionally, we introduce a Pseudo-Features Generator (PFG) module that recursively estimates the deviation of real features. The PFG generates offset pseudo-features following a normal distribution, thereby addressing the data imbalance issue. Experimental results demonstrate that despite being an exemplar-free strategy, our method outperforms various methods on the autonomous driving SODA10M dataset. Source code is available at https://github.com/ZHUANGHP/Analytic-continual-learning.

Personalized Residuals for Concept-Driven Text-to-Image Generation

We present personalized residuals and localized attention-guided sampling for efficient concept-driven generation using text-to-image diffusion models. Our method first represents concepts by freezing the weights of a pretrained text-conditioned diffusion model and learning low-rank residuals for a small subset of the model's layers. The residual-based approach then directly enables application of our proposed sampling technique, which applies the learned residuals only in areas where the concept is localized via cross-attention and applies the original diffusion weights in all other regions. Localized sampling therefore combines the learned identity of the concept with the existing generative prior of the underlying diffusion model. We show that personalized residuals effectively capture the identity of a concept in ~3 minutes on a single GPU without the use of regularization images and with fewer parameters than previous models, and localized sampling allows using the original model as strong prior for large parts of the image.