Wei Ye

Yidong Wang, Hao Chen, Yue Fan et al. · cmu, pku

Semi-supervised learning (SSL) improves model generalization by leveraging massive unlabeled data to augment limited labeled samples. However, currently, popular SSL evaluation protocols are often constrained to computer vision (CV) tasks. In addition, previous work typically trains deep neural networks from scratch, which is time-consuming and environmentally unfriendly. To address the above issues, we construct a Unified SSL Benchmark (USB) for classification by selecting 15 diverse, challenging, and comprehensive tasks from CV, natural language processing (NLP), and audio processing (Audio), on which we systematically evaluate the dominant SSL methods, and also open-source a modular and extensible codebase for fair evaluation of these SSL methods. We further provide the pre-trained versions of the state-of-the-art neural models for CV tasks to make the cost affordable for further tuning. USB enables the evaluation of a single SSL algorithm on more tasks from multiple domains but with less cost. Specifically, on a single NVIDIA V100, only 39 GPU days are required to evaluate FixMatch on 15 tasks in USB while 335 GPU days (279 GPU days on 4 CV datasets except for ImageNet) are needed on 5 CV tasks with TorchSSL.

Botao Yu, Peiling Lu, Rui Wang et al. · microsoft-research

Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, because the full attention cannot efficiently model the typically long music sequences (e.g., over 10,000 tokens), and the existing models have shortcomings in generating musical repetition structures. In this paper, we propose Museformer, a Transformer with a novel fine- and coarse-grained attention for music generation. Specifically, with the fine-grained attention, a token of a specific bar directly attends to all the tokens of the bars that are most relevant to music structures (e.g., the previous 1st, 2nd, 4th and 8th bars, selected via similarity statistics); with the coarse-grained attention, a token only attends to the summarization of the other bars rather than each token of them so as to reduce the computational cost. The advantages are two-fold. First, it can capture both music structure-related correlations via the fine-grained attention, and other contextual information via the coarse-grained attention. Second, it is efficient and can model over 3X longer music sequences compared to its full-attention counterpart. Both objective and subjective experimental results demonstrate its ability to generate long music sequences with high quality and better structures.

Moritz Neun, Christian Eichenberger, Henry Martin et al.

The global trends of urbanization and increased personal mobility force us to rethink the way we live and use urban space. The Traffic4cast competition series tackles this problem in a data-driven way, advancing the latest methods in machine learning for modeling complex spatial systems over time. In this edition, our dynamic road graph data combine information from road maps, $10^{12}$ probe data points, and stationary vehicle detectors in three cities over the span of two years. While stationary vehicle detectors are the most accurate way to capture traffic volume, they are only available in few locations. Traffic4cast 2022 explores models that have the ability to generalize loosely related temporal vertex data on just a few nodes to predict dynamic future traffic states on the edges of the entire road graph. In the core challenge, participants are invited to predict the likelihoods of three congestion classes derived from the speed levels in the GPS data for the entire road graph in three cities 15 min into the future. We only provide vehicle count data from spatially sparse stationary vehicle detectors in these three cities as model input for this task. The data are aggregated in 15 min time bins for one hour prior to the prediction time. For the extended challenge, participants are tasked to predict the average travel times on super-segments 15 min into the future - super-segments are longer sequences of road segments in the graph. The competition results provide an important advance in the prediction of complex city-wide traffic states just from publicly available sparse vehicle data and without the need for large amounts of real-time floating vehicle data.

Yaosen Min, Ye Wei, Peizhuo Wang et al.

Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity prediction, their accuracy is still limited, partially because they only take advantage of static crystal structures while the actual binding affinities are generally determined by the thermodynamic ensembles between proteins and ligands. One effective way to approximate such a thermodynamic ensemble is to use molecular dynamics (MD) simulation. Here, an MD dataset containing 3,218 different protein-ligand complexes is curated, and Dynaformer, a graph-based deep learning model is further developed to predict the binding affinities by learning the geometric characteristics of the protein-ligand interactions from the MD trajectories. In silico experiments demonstrated that the model exhibits state-of-the-art scoring and ranking power on the CASF-2016 benchmark dataset, outperforming the methods hitherto reported. Moreover, in a virtual screening on heat shock protein 90 (HSP90) using Dynaformer, 20 candidates are identified and their binding affinities are further experimentally validated. Dynaformer displayed promising results in virtual drug screening, revealing 12 hit compounds (two are in the submicromolar range), including several novel scaffolds. Overall, these results demonstrated that the approach offer a promising avenue for accelerating the early drug discovery process.

Avinash Paliwal, Wei Ye, Jinhui Xiong et al.

The field of 3D reconstruction from images has rapidly evolved in the past few years, first with the introduction of Neural Radiance Field (NeRF) and more recently with 3D Gaussian Splatting (3DGS). The latter provides a significant edge over NeRF in terms of the training and inference speed, as well as the reconstruction quality. Although 3DGS works well for dense input images, the unstructured point-cloud like representation quickly overfits to the more challenging setup of extremely sparse input images (e.g., 3 images), creating a representation that appears as a jumble of needles from novel views. To address this issue, we propose regularized optimization and depth-based initialization. Our key idea is to introduce a structured Gaussian representation that can be controlled in 2D image space. We then constraint the Gaussians, in particular their position, and prevent them from moving independently during optimization. Specifically, we introduce single and multiview constraints through an implicit convolutional decoder and a total variation loss, respectively. With the coherency introduced to the Gaussians, we further constrain the optimization through a flow-based loss function. To support our regularized optimization, we propose an approach to initialize the Gaussians using monocular depth estimates at each input view. We demonstrate significant improvements compared to the state-of-the-art sparse-view NeRF-based approaches on a variety of scenes.

Xingyu Li, Fei Tao, Wei Ye et al.

In this study, we introduce Generative Manufacturing Systems (GMS) as a novel approach to effectively manage and coordinate autonomous manufacturing assets, thereby enhancing their responsiveness and flexibility to address a wide array of production objectives and human preferences. Deviating from traditional explicit modeling, GMS employs generative AI, including diffusion models and ChatGPT, for implicit learning from envisioned futures, marking a shift from a model-optimum to a training-sampling decision-making. Through the integration of generative AI, GMS enables complex decision-making through interactive dialogue with humans, allowing manufacturing assets to generate multiple high-quality global decisions that can be iteratively refined based on human feedback. Empirical findings showcase GMS's substantial improvement in system resilience and responsiveness to uncertainties, with decision times reduced from seconds to milliseconds. The study underscores the inherent creativity and diversity in the generated solutions, facilitating human-centric decision-making through seamless and continuous human-machine interactions.

Zhuohao Yu, Xingru Jiang, Weizheng Gu et al. · pku

Watermarking LLM-generated text is critical for content attribution and misinformation prevention. However, existing methods compromise text quality, require white-box model access and logit manipulation. These limitations exclude API-based models and multilingual scenarios. We propose SAEMark, a general framework for post-hoc multi-bit watermarking that embeds personalized messages solely via inference-time, feature-based rejection sampling without altering model logits or requiring training. Our approach operates on deterministic features extracted from generated text, selecting outputs whose feature statistics align with key-derived targets. This framework naturally generalizes across languages and domains while preserving text quality through sampling LLM outputs instead of modifying. We provide theoretical guarantees relating watermark success probability and compute budget that hold for any suitable feature extractor. Empirically, we demonstrate the framework's effectiveness using Sparse Autoencoders (SAEs), achieving superior detection accuracy and text quality. Experiments across 4 datasets show SAEMark's consistent performance, with 99.7% F1 on English and strong multi-bit detection accuracy. SAEMark establishes a new paradigm for scalable watermarking that works out-of-the-box with closed-source LLMs while enabling content attribution.

Ang Lv, Xu Tan, Peiling Lu et al.

Symbolic music generation aims to create musical notes, which can help users compose music, such as generating target instrument tracks based on provided source tracks. In practical scenarios where there's a predefined ensemble of tracks and various composition needs, an efficient and effective generative model that can generate any target tracks based on the other tracks becomes crucial. However, previous efforts have fallen short in addressing this necessity due to limitations in their music representations and models. In this paper, we introduce a framework known as GETMusic, with ``GET'' standing for ``GEnerate music Tracks.'' This framework encompasses a novel music representation ``GETScore'' and a diffusion model ``GETDiff.'' GETScore represents musical notes as tokens and organizes tokens in a 2D structure, with tracks stacked vertically and progressing horizontally over time. At a training step, each track of a music piece is randomly selected as either the target or source. The training involves two processes: In the forward process, target tracks are corrupted by masking their tokens, while source tracks remain as the ground truth; in the denoising process, GETDiff is trained to predict the masked target tokens conditioning on the source tracks. Our proposed representation, coupled with the non-autoregressive generative model, empowers GETMusic to generate music with any arbitrary source-target track combinations. Our experiments demonstrate that the versatile GETMusic outperforms prior works proposed for certain specific composition tasks.

Jiaqi Gu, Hyoukjun Kwon, Dilin Wang et al.

Vision Transformers (ViTs) have emerged with superior performance on computer vision tasks compared to convolutional neural network (CNN)-based models. However, ViTs are mainly designed for image classification that generate single-scale low-resolution representations, which makes dense prediction tasks such as semantic segmentation challenging for ViTs. Therefore, we propose HRViT, which enhances ViTs to learn semantically-rich and spatially-precise multi-scale representations by integrating high-resolution multi-branch architectures with ViTs. We balance the model performance and efficiency of HRViT by various branch-block co-optimization techniques. Specifically, we explore heterogeneous branch designs, reduce the redundancy in linear layers, and augment the attention block with enhanced expressiveness. Those approaches enabled HRViT to push the Pareto frontier of performance and efficiency on semantic segmentation to a new level, as our evaluation results on ADE20K and Cityscapes show. HRViT achieves 50.20% mIoU on ADE20K and 83.16% mIoU on Cityscapes, surpassing state-of-the-art MiT and CSWin backbones with an average of +1.78 mIoU improvement, 28% parameter saving, and 21% FLOPs reduction, demonstrating the potential of HRViT as a strong vision backbone for semantic segmentation.