Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated Anesthesia

Anesthetics are crucial in surgical procedures and therapeutic interventions, but they come with side effects and varying levels of effectiveness, calling for novel anesthetic agents that offer more precise and controllable effects. Targeting Gamma-aminobutyric acid (GABA) receptors, the primary inhibitory receptors in the central nervous system, could enhance their inhibitory action, potentially reducing side effects while improving the potency of anesthetics. In this study, we introduce a proteomic learning of GABA receptor-mediated anesthesia based on 24 GABA receptor subtypes by considering over 4000 proteins in protein-protein interaction (PPI) networks and over 1.5 millions known binding compounds. We develop a corresponding drug-target interaction network to identify potential lead compounds for novel anesthetic design. To ensure robust proteomic learning predictions, we curated a dataset comprising 136 targets from a pool of 980 targets within the PPI networks. We employed three machine learning algorithms, integrating advanced natural language processing (NLP) models such as pretrained transformer and autoencoder embeddings. Through a comprehensive screening process, we evaluated the side effects and repurposing potential of over 180,000 drug candidates targeting the GABRA5 receptor. Additionally, we assessed the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of these candidates to identify those with near-optimal characteristics. This approach also involved optimizing the structures of existing anesthetics. Our work presents an innovative strategy for the development of new anesthetic drugs, optimization of anesthetic use, and deeper understanding of potential anesthesia-related side effects.

Property Enhanced Instruction Tuning for Multi-task Molecule Generation with Large Language Models

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for biochemical properties, the performance for molecule generation tasks is still limited, especially for tasks involving multi-properties constraints. In this work, we present a two-step framework PEIT (Property Enhanced Instruction Tuning) to improve LLMs for molecular-related tasks. In the first step, we use textual descriptions, SMILES, and biochemical properties as multimodal inputs to pre-train a model called PEIT-GEN, by aligning multi-modal representations to synthesize instruction data. In the second step, we fine-tune existing open-source LLMs with the synthesized data, the resulting PEIT-LLM can handle molecule captioning, text-based molecule generation, molecular property prediction, and our newly proposed multi-constraint molecule generation tasks. Experimental results show that our pre-trained PEIT-GEN outperforms MolT5 and BioT5 in molecule captioning, demonstrating modalities align well between textual descriptions, structures, and biochemical properties. Furthermore, PEIT-LLM shows promising improvements in multi-task molecule generation, proving the scalability of the PEIT framework for various molecular tasks. We release the code, constructed instruction data, and model checkpoints in https://github.com/chenlong164/PEIT.

Learning Causal Transition Matrix for Instance-dependent Label Noise

Noisy labels are both inevitable and problematic in machine learning methods, as they negatively impact models' generalization ability by causing overfitting. In the context of learning with noise, the transition matrix plays a crucial role in the design of statistically consistent algorithms. However, the transition matrix is often considered unidentifiable. One strand of methods typically addresses this problem by assuming that the transition matrix is instance-independent; that is, the probability of mislabeling a particular instance is not influenced by its characteristics or attributes. This assumption is clearly invalid in complex real-world scenarios. To better understand the transition relationship and relax this assumption, we propose to study the data generation process of noisy labels from a causal perspective. We discover that an unobservable latent variable can affect either the instance itself, the label annotation procedure, or both, which complicates the identification of the transition matrix. To address various scenarios, we have unified these observations within a new causal graph. In this graph, the input instance is divided into a noise-resistant component and a noise-sensitive component based on whether they are affected by the latent variable. These two components contribute to identifying the ``causal transition matrix'', which approximates the true transition matrix with theoretical guarantee. In line with this, we have designed a novel training framework that explicitly models this causal relationship and, as a result, achieves a more accurate model for inferring the clean label.

DisPose: Disentangling Pose Guidance for Controllable Human Image Animation

Controllable human image animation aims to generate videos from reference images using driving videos. Due to the limited control signals provided by sparse guidance (e.g., skeleton pose), recent works have attempted to introduce additional dense conditions (e.g., depth map) to ensure motion alignment. However, such strict dense guidance impairs the quality of the generated video when the body shape of the reference character differs significantly from that of the driving video. In this paper, we present DisPose to mine more generalizable and effective control signals without additional dense input, which disentangles the sparse skeleton pose in human image animation into motion field guidance and keypoint correspondence. Specifically, we generate a dense motion field from a sparse motion field and the reference image, which provides region-level dense guidance while maintaining the generalization of the sparse pose control. We also extract diffusion features corresponding to pose keypoints from the reference image, and then these point features are transferred to the target pose to provide distinct identity information. To seamlessly integrate into existing models, we propose a plug-and-play hybrid ControlNet that improves the quality and consistency of generated videos while freezing the existing model parameters. Extensive qualitative and quantitative experiments demonstrate the superiority of DisPose compared to current methods. Code: \href{https://github.com/lihxxx/DisPose}{https://github.com/lihxxx/DisPose}.

T2I-FactualBench: Benchmarking the Factuality of Text-to-Image Models with Knowledge-Intensive Concepts

Evaluating the quality of synthesized images remains a significant challenge in the development of text-to-image (T2I) generation. Most existing studies in this area primarily focus on evaluating text-image alignment, image quality, and object composition capabilities, with comparatively fewer studies addressing the evaluation of the factuality of T2I models, particularly when the concepts involved are knowledge-intensive. To mitigate this gap, we present T2I-FactualBench in this work - the largest benchmark to date in terms of the number of concepts and prompts specifically designed to evaluate the factuality of knowledge-intensive concept generation. T2I-FactualBench consists of a three-tiered knowledge-intensive text-to-image generation framework, ranging from the basic memorization of individual knowledge concepts to the more complex composition of multiple knowledge concepts. We further introduce a multi-round visual question answering (VQA) based evaluation framework to assess the factuality of three-tiered knowledge-intensive text-to-image generation tasks. Experiments on T2I-FactualBench indicate that current state-of-the-art (SOTA) T2I models still leave significant room for improvement.

Ca2-VDM: Efficient Autoregressive Video Diffusion Model with Causal Generation and Cache Sharing

With the advance of diffusion models, today's video generation has achieved impressive quality. To extend the generation length and facilitate real-world applications, a majority of video diffusion models (VDMs) generate videos in an autoregressive manner, i.e., generating subsequent clips conditioned on the last frame(s) of the previous clip. However, existing autoregressive VDMs are highly inefficient and redundant: The model must re-compute all the conditional frames that are overlapped between adjacent clips. This issue is exacerbated when the conditional frames are extended autoregressively to provide the model with long-term context. In such cases, the computational demands increase significantly (i.e., with a quadratic complexity w.r.t. the autoregression step). In this paper, we propose Ca2-VDM, an efficient autoregressive VDM with Causal generation and Cache sharing. For causal generation, it introduces unidirectional feature computation, which ensures that the cache of conditional frames can be precomputed in previous autoregression steps and reused in every subsequent step, eliminating redundant computations. For cache sharing, it shares the cache across all denoising steps to avoid the huge cache storage cost. Extensive experiments demonstrated that our Ca2-VDM achieves state-of-the-art quantitative and qualitative video generation results and significantly improves the generation speed. Code is available at https://github.com/Dawn-LX/CausalCache-VDM

IterIS: Iterative Inference-Solving Alignment for LoRA Merging

Low-rank adaptations (LoRA) are widely used to fine-tune large models across various domains for specific downstream tasks. While task-specific LoRAs are often available, concerns about data privacy and intellectual property can restrict access to training data, limiting the acquisition of a multi-task model through gradient-based training. In response, LoRA merging presents an effective solution by combining multiple LoRAs into a unified adapter while maintaining data privacy. Prior works on LoRA merging primarily frame it as an optimization problem, yet these approaches face several limitations, including the rough assumption about input features utilized in optimization, massive sample requirements, and the unbalanced optimization objective. These limitations can significantly degrade performance. To address these, we propose a novel optimization-based method, named IterIS: 1) We formulate LoRA merging as an advanced optimization problem to mitigate the rough assumption. Additionally, we employ an iterative inference-solving framework in our algorithm. It can progressively refine the optimization objective for improved performance. 2) We introduce an efficient regularization term to reduce the need for massive sample requirements (requiring only 1-5% of the unlabeled samples compared to prior methods). 3) We utilize adaptive weights in the optimization objective to mitigate potential unbalances in LoRA merging process. Our method demonstrates significant improvements over multiple baselines and state-of-the-art methods in composing tasks for text-to-image diffusion, vision-language models, and large language models. Furthermore, our layer-wise algorithm can achieve convergence with minimal steps, ensuring efficiency in both memory and computation.

Stereo Anything: Unifying Stereo Matching with Large-Scale Mixed Data

Stereo matching has been a pivotal component in 3D vision, aiming to find corresponding points between pairs of stereo images to recover depth information. In this work, we introduce StereoAnything, a highly practical solution for robust stereo matching. Rather than focusing on a specialized model, our goal is to develop a versatile foundational model capable of handling stereo images across diverse environments. To this end, we scale up the dataset by collecting labeled stereo images and generating synthetic stereo pairs from unlabeled monocular images. To further enrich the model's ability to generalize across different conditions, we introduce a novel synthetic dataset that complements existing data by adding variability in baselines, camera angles, and scene types. We extensively evaluate the zero-shot capabilities of our model on five public datasets, showcasing its impressive ability to generalize to new, unseen data. Code will be available at \url{https://github.com/XiandaGuo/OpenStereo}.

DriveMLLM: A Benchmark for Spatial Understanding with Multimodal Large Language Models in Autonomous Driving

Autonomous driving requires a comprehensive understanding of 3D environments to facilitate high-level tasks such as motion prediction, planning, and mapping. In this paper, we introduce DriveMLLM, a benchmark specifically designed to evaluate the spatial understanding capabilities of multimodal large language models (MLLMs) in autonomous driving. DriveMLLM includes 2,734 front-facing camera images and introduces both absolute and relative spatial reasoning tasks, accompanied by linguistically diverse natural language questions. To measure MLLMs' performance, we propose novel evaluation metrics focusing on spatial understanding. We evaluate several state-of-the-art MLLMs on DriveMLLM, and our results reveal the limitations of current models in understanding complex spatial relationships in driving contexts. We believe these findings underscore the need for more advanced MLLM-based spatial reasoning methods and highlight the potential for DriveMLLM to drive further research in autonomous driving. Code will be available at \url{https://github.com/XiandaGuo/Drive-MLLM}.

R3HF: Reward Redistribution for Enhancing Reinforcement Learning from Human Feedback

Reinforcement learning from human feedback (RLHF) provides a paradigm for aligning large language models (LLMs) with human preferences. This involves the initial training of a reward model based on pairwise human feedback. The reward model is subsequently utilized in reinforcement learning to assess the scores of each generated sentence as a whole, further guiding the optimization of LLMs. However, current approaches have a significant shortcoming: \emph{They allocate a single, sparse, and delayed reward to an entire sequence of output}. This may overlook some significant individual contributions of each token towards the desired outcome. To overcome this limitation, our paper proposes a novel reward redistribution method called R3HF, which facilitates a more fine-grained, token-level reward allocation. Specifically, our method treats the reward prediction task of the reward model as a regression problem. As a result, the redistributed rewards are computed by evaluating the specific contribution of each token to the reward model's output. This detailed approach improves the model's understanding of language nuances, leading to more precise enhancements in its performance. Our method is crafted to integrate seamlessly with most current techniques while incurring minimal computational costs. Through comprehensive experiments across diverse datasets and tasks, we have verified the effectiveness and superiority of our approach.