Empowering Biomedical Discovery with AI Agents

We envision 'AI scientists' as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate machine learning tools with experimental platforms. Rather than taking humans out of the discovery process, biomedical AI agents combine human creativity and expertise with AI's ability to analyze large datasets, navigate hypothesis spaces, and execute repetitive tasks. AI agents are proficient in a variety of tasks, including self-assessment and planning of discovery workflows. These agents use large language models and generative models to feature structured memory for continual learning and use machine learning tools to incorporate scientific knowledge, biological principles, and theories. AI agents can impact areas ranging from hybrid cell simulation, programmable control of phenotypes, and the design of cellular circuits to the development of new therapies.

UniTS: Building a Unified Time Series Model

Foundation models, especially LLMs, are profoundly transforming deep learning. Instead of training many task-specific models, we can adapt a single pretrained model to many tasks via fewshot prompting or fine-tuning. However, current foundation models apply to sequence data but not to time series, which present unique challenges due to the inherent diverse and multidomain time series datasets, diverging task specifications across forecasting, classification and other types of tasks, and the apparent need for task-specialized models. We developed UNITS, a unified time series model that supports a universal task specification, accommodating classification, forecasting, imputation, and anomaly detection tasks. This is achieved through a novel unified network backbone, which incorporates sequence and variable attention along with a dynamic linear operator and is trained as a unified model. Across 38 multi-domain datasets, UNITS demonstrates superior performance compared to task-specific models and repurposed natural language-based LLMs. UNITS exhibits remarkable zero-shot, few-shot, and prompt learning capabilities when evaluated on new data domains and tasks. The source code and datasets are available at https://github.com/mims-harvard/UniTS.

A Decoupled Spatio-Temporal Framework for Skeleton-based Action Segmentation

Effectively modeling discriminative spatio-temporal information is essential for segmenting activities in long action sequences. However, we observe that existing methods are limited in weak spatio-temporal modeling capability due to two forms of decoupled modeling: (i) cascaded interaction couples spatial and temporal modeling, which over-smooths motion modeling over the long sequence, and (ii) joint-shared temporal modeling adopts shared weights to model each joint, ignoring the distinct motion patterns of different joints. We propose a Decoupled Spatio-Temporal Framework (DeST) to address the above issues. Firstly, we decouple the cascaded spatio-temporal interaction to avoid stacking multiple spatio-temporal blocks, while achieving sufficient spatio-temporal interaction. Specifically, DeST performs once unified spatial modeling and divides the spatial features into different groups of subfeatures, which then adaptively interact with temporal features from different layers. Since the different sub-features contain distinct spatial semantics, the model could learn the optimal interaction pattern at each layer. Meanwhile, inspired by the fact that different joints move at different speeds, we propose joint-decoupled temporal modeling, which employs independent trainable weights to capture distinctive temporal features of each joint. On four large-scale benchmarks of different scenes, DeST significantly outperforms current state-of-the-art methods with less computational complexity.

Let's Think Outside the Box: Exploring Leap-of-Thought in Large Language Models with Creative Humor Generation

Chain-of-Thought (CoT) guides large language models (LLMs) to reason step-by-step, and can motivate their logical reasoning ability. While effective for logical tasks, CoT is not conducive to creative problem-solving which often requires out-of-box thoughts and is crucial for innovation advancements. In this paper, we explore the Leap-of-Thought (LoT) abilities within LLMs -- a non-sequential, creative paradigm involving strong associations and knowledge leaps. To this end, we study LLMs on the popular Oogiri game which needs participants to have good creativity and strong associative thinking for responding unexpectedly and humorously to the given image, text, or both, and thus is suitable for LoT study. Then to investigate LLMs' LoT ability in the Oogiri game, we first build a multimodal and multilingual Oogiri-GO dataset which contains over 130,000 samples from the Oogiri game, and observe the insufficient LoT ability or failures of most existing LLMs on the Oogiri game. Accordingly, we introduce a creative Leap-of-Thought (CLoT) paradigm to improve LLM's LoT ability. CLoT first formulates the Oogiri-GO dataset into LoT-oriented instruction tuning data to train pretrained LLM for achieving certain LoT humor generation and discrimination abilities. Then CLoT designs an explorative self-refinement that encourages the LLM to generate more creative LoT data via exploring parallels between seemingly unrelated concepts and selects high-quality data to train itself for self-refinement. CLoT not only excels in humor generation in the Oogiri game but also boosts creative abilities in various tasks like cloud guessing game and divergent association task. These findings advance our understanding and offer a pathway to improve LLMs' creative capacities for innovative applications across domains. The dataset, code, and models will be released online. https://zhongshsh.github.io/CLoT/.

ChatAnything: Facetime Chat with LLM-Enhanced Personas

In this technical report, we target generating anthropomorphized personas for LLM-based characters in an online manner, including visual appearance, personality and tones, with only text descriptions. To achieve this, we first leverage the in-context learning capability of LLMs for personality generation by carefully designing a set of system prompts. We then propose two novel concepts: the mixture of voices (MoV) and the mixture of diffusers (MoD) for diverse voice and appearance generation. For MoV, we utilize the text-to-speech (TTS) algorithms with a variety of pre-defined tones and select the most matching one based on the user-provided text description automatically. For MoD, we combine the recent popular text-to-image generation techniques and talking head algorithms to streamline the process of generating talking objects. We termed the whole framework as ChatAnything. With it, users could be able to animate anything with any personas that are anthropomorphic using just a few text inputs. However, we have observed that the anthropomorphic objects produced by current generative models are often undetectable by pre-trained face landmark detectors, leading to failure of the face motion generation, even if these faces possess human-like appearances because those images are nearly seen during the training (e.g., OOD samples). To address this issue, we incorporate pixel-level guidance to infuse human face landmarks during the image generation phase. To benchmark these metrics, we have built an evaluation dataset. Based on it, we verify that the detection rate of the face landmark is significantly increased from 57.0% to 92.5% thus allowing automatic face animation based on generated speech content. The code and more results can be found at https://chatanything.github.io/.

Enhancing Representations through Heterogeneous Self-Supervised Learning

Incorporating heterogeneous representations from different architectures has facilitated various vision tasks, e.g., some hybrid networks combine transformers and convolutions. However, complementarity between such heterogeneous architectures has not been well exploited in self-supervised learning. Thus, we propose Heterogeneous Self-Supervised Learning (HSSL), which enforces a base model to learn from an auxiliary head whose architecture is heterogeneous from the base model. In this process, HSSL endows the base model with new characteristics in a representation learning way without structural changes. To comprehensively understand the HSSL, we conduct experiments on various heterogeneous pairs containing a base model and an auxiliary head. We discover that the representation quality of the base model moves up as their architecture discrepancy grows. This observation motivates us to propose a search strategy that quickly determines the most suitable auxiliary head for a specific base model to learn and several simple but effective methods to enlarge the model discrepancy. The HSSL is compatible with various self-supervised methods, achieving superior performances on various downstream tasks, including image classification, semantic segmentation, instance segmentation, and object detection. Our source code will be made publicly available.

Masked Diffusion Transformer is a Strong Image Synthesizer

Despite its success in image synthesis, we observe that diffusion probabilistic models (DPMs) often lack contextual reasoning ability to learn the relations among object parts in an image, leading to a slow learning process. To solve this issue, we propose a Masked Diffusion Transformer (MDT) that introduces a mask latent modeling scheme to explicitly enhance the DPMs' ability of contextual relation learning among object semantic parts in an image. During training, MDT operates on the latent space to mask certain tokens. Then, an asymmetric masking diffusion transformer is designed to predict masked tokens from unmasked ones while maintaining the diffusion generation process. Our MDT can reconstruct the full information of an image from its incomplete contextual input, thus enabling it to learn the associated relations among image tokens. Experimental results show that MDT achieves superior image synthesis performance, e.g. a new SoTA FID score on the ImageNet dataset, and has about 3x faster learning speed than the previous SoTA DiT. The source code is released at https://github.com/sail-sg/MDT.

RF-Next: Efficient Receptive Field Search for Convolutional Neural Networks

Temporal/spatial receptive fields of models play an important role in sequential/spatial tasks. Large receptive fields facilitate long-term relations, while small receptive fields help to capture the local details. Existing methods construct models with hand-designed receptive fields in layers. Can we effectively search for receptive field combinations to replace hand-designed patterns? To answer this question, we propose to find better receptive field combinations through a global-to-local search scheme. Our search scheme exploits both global search to find the coarse combinations and local search to get the refined receptive field combinations further. The global search finds possible coarse combinations other than human-designed patterns. On top of the global search, we propose an expectation-guided iterative local search scheme to refine combinations effectively. Our RF-Next models, plugging receptive field search to various models, boost the performance on many tasks, e.g., temporal action segmentation, object detection, instance segmentation, and speech synthesis. The source code is publicly available on http://mmcheng.net/rfnext.

Exploring Feature Self-relation for Self-supervised Transformer

Learning representations with self-supervision for convolutional networks (CNN) has proven effective for vision tasks. As an alternative for CNN, vision transformers (ViTs) emerge strong representation ability with the pixel-level self-attention and channel-level feed-forward networks. Recent works reveal that self-supervised learning helps unleash the great potential of ViTs. Still, most works follow self-supervised strategy designed for CNNs, e.g., instance-level discrimination of samples, but they ignore the unique properties of ViTs. We observe that modeling relations among pixels and channels distinguishes ViTs from other networks. To enforce this property, we explore the feature self-relations for training self-supervised ViTs. Specifically, instead of conducting self-supervised learning solely on feature embeddings from multiple views, we utilize the feature self-relations, i.e., pixel/channel-level self-relations, for self-supervised learning. Self-relation based learning further enhance the relation modeling ability of ViTs, resulting in strong representations that stably improve performance on multiple downstream tasks. Our source code will be made publicly available.

Hi-Fi: Hierarchical Feature Integration for Skeleton Detection

In natural images, the scales (thickness) of object skeletons may dramatically vary among objects and object parts, making object skeleton detection a challenging problem. We present a new convolutional neural network (CNN) architecture by introducing a novel hierarchical feature integration mechanism, named Hi-Fi, to address the skeleton detection problem. The proposed CNN-based approach has a powerful multi-scale feature integration ability that intrinsically captures high-level semantics from deeper layers as well as low-level details from shallower layers. % By hierarchically integrating different CNN feature levels with bidirectional guidance, our approach (1) enables mutual refinement across features of different levels, and (2) possesses the strong ability to capture both rich object context and high-resolution details. Experimental results show that our method significantly outperforms the state-of-the-art methods in terms of effectively fusing features from very different scales, as evidenced by a considerable performance improvement on several benchmarks.