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Large language models (LLMs) have shown impressive success in various applications. However, these models are often not well aligned with human intents, which calls for additional treatments on them, that is, the alignment problem. To make LLMs better follow user instructions, existing alignment methods mostly focus on further training them. However, the extra training of LLMs are usually expensive in terms of GPU compute; worse still, LLMs of interest are oftentimes not accessible for user-demanded training, such as GPTs. In this work, we take a different perspective -- Black-Box Prompt Optimization (BPO) -- to perform alignments. The idea is to optimize user prompts to suit LLMs' input understanding, so as to best realize users' intents without updating LLMs' parameters. BPO is model-agnostic and the empirical results demonstrate that the BPO-aligned ChatGPT yields a 22\% increase in the win rate against its original version, and 10\% for GPT-4. Importantly, the \model-aligned LLMs can outperform the same models aligned by PPO and DPO, and it also brings additional performance gains when combining \model with PPO or DPO. Code and datasets are released at //github.com/thu-coai/BPO.

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules' topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (e.g., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder's representation space and an LM's text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM's efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM's ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines. Our codes and checkpoints can be found at //github.com/acharkq/MolCA.

Good 3D object detection performance from LiDAR-Camera sensors demands seamless feature alignment and fusion strategies. We propose the 3DifFusionDet framework in this paper, which structures 3D object detection as a denoising diffusion process from noisy 3D boxes to target boxes. In this framework, ground truth boxes diffuse in a random distribution for training, and the model learns to reverse the noising process. During inference, the model gradually refines a set of boxes that were generated at random to the outcomes. Under the feature align strategy, the progressive refinement method could make a significant contribution to robust LiDAR-Camera fusion. The iterative refinement process could also demonstrate great adaptability by applying the framework to various detecting circumstances where varying levels of accuracy and speed are required. Extensive experiments on KITTI, a benchmark for real-world traffic object identification, revealed that 3DifFusionDet is able to perform favorably in comparison to earlier, well-respected detectors.

We present the HOH (Human-Object-Human) Handover Dataset, a large object count dataset with 136 objects, to accelerate data-driven research on handover studies, human-robot handover implementation, and artificial intelligence (AI) on handover parameter estimation from 2D and 3D data of person interactions. HOH contains multi-view RGB and depth data, skeletons, fused point clouds, grasp type and handedness labels, object, giver hand, and receiver hand 2D and 3D segmentations, giver and receiver comfort ratings, and paired object metadata and aligned 3D models for 2,720 handover interactions spanning 136 objects and 20 giver-receiver pairs-40 with role-reversal-organized from 40 participants. We also show experimental results of neural networks trained using HOH to perform grasp, orientation, and trajectory prediction. As the only fully markerless handover capture dataset, HOH represents natural human-human handover interactions, overcoming challenges with markered datasets that require specific suiting for body tracking, and lack high-resolution hand tracking. To date, HOH is the largest handover dataset in number of objects, participants, pairs with role reversal accounted for, and total interactions captured.

With the rapid development of detectors, Bounding Box Regression (BBR) loss function has constantly updated and optimized. However, the existing IoU-based BBR still focus on accelerating convergence by adding new loss terms, ignoring the limitations of IoU loss term itself. Although theoretically IoU loss can effectively describe the state of bounding box regression,in practical applications, it cannot adjust itself according to different detectors and detection tasks, and does not have strong generalization. Based on the above, we first analyzed the BBR model and concluded that distinguishing different regression samples and using different scales of auxiliary bounding boxes to calculate losses can effectively accelerate the bounding box regression process. For high IoU samples, using smaller auxiliary bounding boxes to calculate losses can accelerate convergence, while larger auxiliary bounding boxes are suitable for low IoU samples. Then, we propose Inner-IoU loss, which calculates IoU loss through auxiliary bounding boxes. For different datasets and detectors, we introduce a scaling factor ratio to control the scale size of the auxiliary bounding boxes for calculating losses. Finally, integrate Inner-IoU into the existing IoU-based loss functions for simulation and comparative experiments. The experiment result demonstrate a further enhancement in detection performance with the utilization of the method proposed in this paper, verifying the effectiveness and generalization ability of Inner IoU loss.

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size. This paper develops SBDMs in the infinite-dimensional setting, that is, we model the training data as functions supported on a rectangular domain. Besides the quest for generating images at ever higher resolution, our primary motivation is to create a well-posed infinite-dimensional learning problem so that we can discretize it consistently on multiple resolution levels. We thereby intend to obtain diffusion models that generalize across different resolution levels and improve the efficiency of the training process. We demonstrate how to overcome two shortcomings of current SBDM approaches in the infinite-dimensional setting. First, we modify the forward process to ensure that the latent distribution is well-defined in the infinite-dimensional setting using the notion of trace class operators. We derive the reverse processes for finite approximations. Second, we illustrate that approximating the score function with an operator network is beneficial for multilevel training. After deriving the convergence of the discretization and the approximation of multilevel training, we implement an infinite-dimensional SBDM approach and show the first promising results on MNIST and Fashion-MNIST, underlining our developed theory.

The popular VQ-VAE models reconstruct images through learning a discrete codebook but suffer from a significant issue in the rapid quality degradation of image reconstruction as the compression rate rises. One major reason is that a higher compression rate induces more loss of visual signals on the higher frequency spectrum which reflect the details on pixel space. In this paper, a Frequency Complement Module (FCM) architecture is proposed to capture the missing frequency information for enhancing reconstruction quality. The FCM can be easily incorporated into the VQ-VAE structure, and we refer to the new model as Frequency Augmented VAE (FA-VAE). In addition, a Dynamic Spectrum Loss (DSL) is introduced to guide the FCMs to balance between various frequencies dynamically for optimal reconstruction. FA-VAE is further extended to the text-to-image synthesis task, and a Cross-attention Autoregressive Transformer (CAT) is proposed to obtain more precise semantic attributes in texts. Extensive reconstruction experiments with different compression rates are conducted on several benchmark datasets, and the results demonstrate that the proposed FA-VAE is able to restore more faithfully the details compared to SOTA methods. CAT also shows improved generation quality with better image-text semantic alignment.

Decision Trees (DTs) are commonly used for many machine learning tasks due to their high degree of interpretability. However, learning a DT from data is a difficult optimization problem, as it is non-convex and non-differentiable. Therefore, common approaches learn DTs using a greedy growth algorithm that minimizes the impurity locally at each internal node. Unfortunately, this greedy procedure can lead to inaccurate trees. In this paper, we present a novel approach for learning hard, axis-aligned DTs with gradient descent. The proposed method uses backpropagation with a straight-through operator on a dense DT representation, to jointly optimize all tree parameters. Our approach outperforms existing methods on binary classification benchmarks and achieves competitive results for multi-class tasks. The method is available under: //github.com/s-marton/GradTree

Knowledge enhanced pre-trained language models (K-PLMs) are shown to be effective for many public tasks in the literature but few of them have been successfully applied in practice. To address this problem, we propose K-AID, a systematic approach that includes a low-cost knowledge acquisition process for acquiring domain knowledge, an effective knowledge infusion module for improving model performance, and a knowledge distillation component for reducing the model size and deploying K-PLMs on resource-restricted devices (e.g., CPU) for real-world application. Importantly, instead of capturing entity knowledge like the majority of existing K-PLMs, our approach captures relational knowledge, which contributes to better-improving sentence-level text classification and text matching tasks that play a key role in question answering (QA). We conducted a set of experiments on five text classification tasks and three text matching tasks from three domains, namely E-commerce, Government, and Film&TV, and performed online A/B tests in E-commerce. Experimental results show that our approach is able to achieve substantial improvement on sentence-level question answering tasks and bring beneficial business value in industrial settings.

Knowledge graphs are important resources for many artificial intelligence tasks but often suffer from incompleteness. In this work, we propose to use pre-trained language models for knowledge graph completion. We treat triples in knowledge graphs as textual sequences and propose a novel framework named Knowledge Graph Bidirectional Encoder Representations from Transformer (KG-BERT) to model these triples. Our method takes entity and relation descriptions of a triple as input and computes scoring function of the triple with the KG-BERT language model. Experimental results on multiple benchmark knowledge graphs show that our method can achieve state-of-the-art performance in triple classification, link prediction and relation prediction tasks.