A General Theory for Compositional Generalization

Compositional Generalization (CG) embodies the ability to comprehend novel combinations of familiar concepts, representing a significant cognitive leap in human intellectual advancement. Despite its critical importance, the deep neural network (DNN) faces challenges in addressing the compositional generalization problem, prompting considerable research interest. However, existing theories often rely on task-specific assumptions, constraining the comprehensive understanding of CG. This study aims to explore compositional generalization from a task-agnostic perspective, offering a complementary viewpoint to task-specific analyses. The primary challenge is to define CG without overly restricting its scope, a feat achieved by identifying its fundamental characteristics and basing the definition on them. Using this definition, we seek to answer the question "what does the ultimate solution to CG look like?" through the following theoretical findings: 1) the first No Free Lunch theorem in CG, indicating the absence of general solutions; 2) a novel generalization bound applicable to any CG problem, specifying the conditions for an effective CG solution; and 3) the introduction of the generative effect to enhance understanding of CG problems and their solutions. This paper's significance lies in providing a general theory for CG problems, which, when combined with prior theorems under task-specific scenarios, can lead to a comprehensive understanding of CG.

Text Grouping Adapter: Adapting Pre-trained Text Detector for Layout Analysis

Significant progress has been made in scene text detection models since the rise of deep learning, but scene text layout analysis, which aims to group detected text instances as paragraphs, has not kept pace. Previous works either treated text detection and grouping using separate models, or train a model from scratch while using a unified one. All of them have not yet made full use of the already well-trained text detectors and easily obtainable detection datasets. In this paper, we present Text Grouping Adapter (TGA), a module that can enable the utilization of various pre-trained text detectors to learn layout analysis, allowing us to adopt a well-trained text detector right off the shelf or just fine-tune it efficiently. Designed to be compatible with various text detector architectures, TGA takes detected text regions and image features as universal inputs to assemble text instance features. To capture broader contextual information for layout analysis, we propose to predict text group masks from text instance features by one-to-many assignment. Our comprehensive experiments demonstrate that, even with frozen pre-trained models, incorporating our TGA into various pre-trained text detectors and text spotters can achieve superior layout analysis performance, simultaneously inheriting generalized text detection ability from pre-training. In the case of full parameter fine-tuning, we can further improve layout analysis performance.

F$^3$low: Frame-to-Frame Coarse-grained Molecular Dynamics with SE Guided Flow Matching

Molecular dynamics (MD) is a crucial technique for simulating biological systems, enabling the exploration of their dynamic nature and fostering an understanding of their functions and properties. To address exploration inefficiency, emerging enhanced sampling approaches like coarse-graining (CG) and generative models have been employed. In this work, we propose a \underline{Frame-to-Frame} generative model with guided \underline{Flow}-matching (F$3$low) for enhanced sampling, which (a) extends the domain of CG modeling to the SE(3) Riemannian manifold; (b) retreating CGMD simulations as autoregressively sampling guided by the former frame via flow-matching models; (c) targets the protein backbone, offering improved insights into secondary structure formation and intricate folding pathways. Compared to previous methods, F$3$low allows for broader exploration of conformational space. The ability to rapidly generate diverse conformations via force-free generative paradigm on SE(3) paves the way toward efficient enhanced sampling methods.

Make Your LLM Fully Utilize the Context

While many contemporary large language models (LLMs) can process lengthy input, they still struggle to fully utilize information within the long context, known as the lost-in-the-middle challenge. We hypothesize that it stems from insufficient explicit supervision during the long-context training, which fails to emphasize that any position in a long context can hold crucial information. Based on this intuition, our study presents information-intensive (IN2) training, a purely data-driven solution to overcome lost-in-the-middle. Specifically, IN2 training leverages a synthesized long-context question-answer dataset, where the answer requires (1) fine-grained information awareness on a short segment (~128 tokens) within a synthesized long context (4K-32K tokens), and (2) the integration and reasoning of information from two or more short segments. Through applying this information-intensive training on Mistral-7B, we present FILM-7B (FILl-in-the-Middle). To thoroughly assess the ability of FILM-7B for utilizing long contexts, we design three probing tasks that encompass various context styles (document, code, and structured-data context) and information retrieval patterns (forward, backward, and bi-directional retrieval). The probing results demonstrate that FILM-7B can robustly retrieve information from different positions in its 32K context window. Beyond these probing tasks, FILM-7B significantly improves the performance on real-world long-context tasks (e.g., 23.5->26.9 F1 score on NarrativeQA), while maintaining a comparable performance on short-context tasks (e.g., 59.3->59.2 accuracy on MMLU). Github Link: https://github.com/microsoft/FILM.

Robust Noisy Label Learning via Two-Stream Sample Distillation

Noisy label learning aims to learn robust networks under the supervision of noisy labels, which plays a critical role in deep learning. Existing work either conducts sample selection or label correction to deal with noisy labels during the model training process. In this paper, we design a simple yet effective sample selection framework, termed Two-Stream Sample Distillation (TSSD), for noisy label learning, which can extract more high-quality samples with clean labels to improve the robustness of network training. Firstly, a novel Parallel Sample Division (PSD) module is designed to generate a certain training set with sufficient reliable positive and negative samples by jointly considering the sample structure in feature space and the human prior in loss space. Secondly, a novel Meta Sample Purification (MSP) module is further designed to mine adequate semi-hard samples from the remaining uncertain training set by learning a strong meta classifier with extra golden data. As a result, more and more high-quality samples will be distilled from the noisy training set to train networks robustly in every iteration. Extensive experiments on four benchmark datasets, including CIFAR-10, CIFAR-100, Tiny-ImageNet, and Clothing-1M, show that our method has achieved state-of-the-art results over its competitors.

Self-Consistency Training for Hamiltonian Prediction

Hamiltonian prediction is a versatile formulation to leverage machine learning for solving molecular science problems. Yet, its applicability is limited by insufficient labeled data for training. In this work, we highlight that Hamiltonian prediction possesses a self-consistency principle, based on which we propose an exact training method that does not require labeled data. This merit addresses the data scarcity difficulty, and distinguishes the task from other property prediction formulations with unique benefits: (1) self-consistency training enables the model to be trained on a large amount of unlabeled data, hence substantially enhances generalization; (2) self-consistency training is more efficient than labeling data with DFT for supervised training, since it is an amortization of DFT calculation over a set of molecular structures. We empirically demonstrate the better generalization in data-scarce and out-of-distribution scenarios, and the better efficiency from the amortization. These benefits push forward the applicability of Hamiltonian prediction to an ever larger scale.

See Through Their Minds: Learning Transferable Neural Representation from Cross-Subject fMRI

Deciphering visual content from functional Magnetic Resonance Imaging (fMRI) helps illuminate the human vision system. However, the scarcity of fMRI data and noise hamper brain decoding model performance. Previous approaches primarily employ subject-specific models, sensitive to training sample size. In this paper, we explore a straightforward but overlooked solution to address data scarcity. We propose shallow subject-specific adapters to map cross-subject fMRI data into unified representations. Subsequently, a shared deeper decoding model decodes cross-subject features into the target feature space. During training, we leverage both visual and textual supervision for multi-modal brain decoding. Our model integrates a high-level perception decoding pipeline and a pixel-wise reconstruction pipeline guided by high-level perceptions, simulating bottom-up and top-down processes in neuroscience. Empirical experiments demonstrate robust neural representation learning across subjects for both pipelines. Moreover, merging high-level and low-level information improves both low-level and high-level reconstruction metrics. Additionally, we successfully transfer learned general knowledge to new subjects by training new adapters with limited training data. Compared to previous state-of-the-art methods, notably pre-training-based methods (Mind-Vis and fMRI-PTE), our approach achieves comparable or superior results across diverse tasks, showing promise as an alternative method for cross-subject fMRI data pre-training. Our code and pre-trained weights will be publicly released at https://github.com/YulongBonjour/See_Through_Their_Minds.

Exploring Hardware Friendly Bottleneck Architecture in CNN for Embedded Computing Systems

In this paper, we explore how to design lightweight CNN architecture for embedded computing systems. We propose L-Mobilenet model for ZYNQ based hardware platform. L-Mobilenet can adapt well to the hardware computing and accelerating, and its network structure is inspired by the state-of-the-art work of Inception-ResnetV1 and MobilenetV2, which can effectively reduce parameters and delay while maintaining the accuracy of inference. We deploy our L-Mobilenet model to ZYNQ embedded platform for fully evaluating the performance of our design. By measuring in cifar10 and cifar100 datasets, L-Mobilenet model is able to gain 3x speed up and 3.7x fewer parameters than MobileNetV2 while maintaining a similar accuracy. It also can obtain 2x speed up and 1.5x fewer parameters than ShufflenetV2 while maintaining the same accuracy. Experiments show that our network model can obtain better performance because of the special considerations for hardware accelerating and software-hardware co-design strategies in our L-Mobilenet bottleneck architecture.

Common 7B Language Models Already Possess Strong Math Capabilities

Mathematical capabilities were previously believed to emerge in common language models only at a very large scale or require extensive math-related pre-training. This paper shows that the LLaMA-2 7B model with common pre-training already exhibits strong mathematical abilities, as evidenced by its impressive accuracy of 97.7% and 72.0% on the GSM8K and MATH benchmarks, respectively, when selecting the best response from 256 random generations. The primary issue with the current base model is the difficulty in consistently eliciting its inherent mathematical capabilities. Notably, the accuracy for the first answer drops to 49.5% and 7.9% on the GSM8K and MATH benchmarks, respectively. We find that simply scaling up the SFT data can significantly enhance the reliability of generating correct answers. However, the potential for extensive scaling is constrained by the scarcity of publicly available math questions. To overcome this limitation, we employ synthetic data, which proves to be nearly as effective as real data and shows no clear saturation when scaled up to approximately one million samples. This straightforward approach achieves an accuracy of 82.6% on GSM8K and 40.6% on MATH using LLaMA-2 7B models, surpassing previous models by 14.2% and 20.8%, respectively. We also provide insights into scaling behaviors across different reasoning complexities and error types.

Leveraging Anchor-based LiDAR 3D Object Detection via Point Assisted Sample Selection

3D object detection based on LiDAR point cloud and prior anchor boxes is a critical technology for autonomous driving environment perception and understanding. Nevertheless, an overlooked practical issue in existing methods is the ambiguity in training sample allocation based on box Intersection over Union (IoU_box). This problem impedes further enhancements in the performance of anchor-based LiDAR 3D object detectors. To tackle this challenge, this paper introduces a new training sample selection method that utilizes point cloud distribution for anchor sample quality measurement, named Point Assisted Sample Selection (PASS). This method has undergone rigorous evaluation on two widely utilized datasets. Experimental results demonstrate that the application of PASS elevates the average precision of anchor-based LiDAR 3D object detectors to a novel state-of-the-art, thereby proving the effectiveness of the proposed approach. The codes will be made available at https://github.com/XJTU-Haolin/Point_Assisted_Sample_Selection.