Large vision-language models (LVLMs), designed to interpret and respond to human instructions, occasionally generate hallucinated or harmful content due to inappropriate instructions. This study uses linear probing to shed light on the hidden knowledge at the output layer of LVLMs. We demonstrate that the logit distributions of the first tokens contain sufficient information to determine whether to respond to the instructions, including recognizing unanswerable visual questions, defending against multi-modal jailbreaking attack, and identifying deceptive questions. Such hidden knowledge is gradually lost in logits of subsequent tokens during response generation. Then, we illustrate a simple decoding strategy at the generation of the first token, effectively improving the generated content. In experiments, we find a few interesting insights: First, the CLIP model already contains a strong signal for solving these tasks, indicating potential bias in the existing datasets. Second, we observe performance improvement by utilizing the first logit distributions on three additional tasks, including indicting uncertainty in math solving, mitigating hallucination, and image classification. Last, with the same training data, simply finetuning LVLMs improve models' performance but is still inferior to linear probing on these tasks.

Designing molecules with desirable properties, such as drug-likeliness and high binding affinities towards protein targets, is a challenging problem. In this paper, we propose the Dual-Space Optimization (DSO) method that integrates latent space sampling and data space selection to solve this problem. DSO iteratively updates a latent space generative model and a synthetic dataset in an optimization process that gradually shifts the generative model and the synthetic data towards regions of desired property values. Our generative model takes the form of a Latent Prompt Transformer (LPT) where the latent vector serves as the prompt of a causal transformer. Our extensive experiments demonstrate effectiveness of the proposed method, which sets new performance benchmarks across single-objective, multi-objective and constrained molecule design tasks.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures. Out-of-distribution (OOD) detection aims to identify test samples that fall outside the inherent training label space, given a deep learning model pre-trained on an in-distribution (ID) training set. To detect OOD samples, OOD scores, such as maximum softmax probability (MSP) (Hendrycks & Gimpel, 2016) and energy score (Liu et al., 2020) are computed using the logits estimated by the model, where a lower score indicates a higher probability that the sample is OOD. Feature shaping (Sun et al., 2021; Djurisic et al., 2022; Xu & Lian, 2023; Song et al., 2022) refers to a family of methods that manipulate the underlying feature representations, typically from the penultimate layer of a pre-trained model, such that OOD scores can more effectively distinguish between ID and OOD data.

Real-time what-if traffic prediction is crucial for decision making in intelligent traffic management and control. Although current deep learning methods demonstrate significant advantages in traffic prediction, they are powerless in what-if traffic prediction due to their nature of correlation-based. Here, we present a simple deep learning framework called TraffNet that learns the mechanisms of traffic generation for what-if prediction from vehicle trajectory data. First, we use a heterogeneous graph to represent the road network, allowing the model to incorporate causal features of traffic flows, such as Origin-Destination (OD) demands and routes. Next, we propose a method for learning segment representations, which involves modeling the process of assigning OD demands onto the road network. The learned segment representations effectively encapsulate the intricate causes of traffic generation, facilitating downstream what-if traffic prediction. Finally, we conduct experiments on synthetic datasets to evaluate the effectiveness of TraffNet. The code and datasets of TraffNet is available at https://github.com/mayunyi-1999/TraffNet_code.git.

In the evolving field of corporate sustainability, analyzing unstructured Environmental, Social, and Governance (ESG) reports is a complex challenge due to their varied formats and intricate content. This study introduces an innovative methodology utilizing the "Unstructured Core Library", specifically tailored to address these challenges by transforming ESG reports into structured, analyzable formats. Our approach significantly advances the existing research by offering high-precision text cleaning, adept identification and extraction of text from images, and standardization of tables within these reports. Emphasizing its capability to handle diverse data types, including text, images, and tables, the method adeptly manages the nuances of differing page layouts and report styles across industries. This research marks a substantial contribution to the fields of industrial ecology and corporate sustainability assessment, paving the way for the application of advanced NLP technologies and large language models in the analysis of corporate governance and sustainability. Our code is available at https://github.com/linancn/TianGong-AI-Unstructure.git.

The visual feature pyramid has proven its effectiveness and efficiency in target detection tasks. Yet, current methodologies tend to overly emphasize inter-layer feature interaction, neglecting the crucial aspect of intra-layer feature adjustment. Experience underscores the significant advantages of intra-layer feature interaction in enhancing target detection tasks. While some approaches endeavor to learn condensed intra-layer feature representations using attention mechanisms or visual transformers, they overlook the incorporation of global information interaction. This oversight results in increased false detections and missed targets.To address this critical issue, this paper introduces the Global Feature Pyramid Network (GFPNet), an augmented version of PAFPN that integrates global information for enhanced target detection. Specifically, we leverage a lightweight MLP to capture global feature information, utilize the VNC encoder to process these features, and employ a parallel learnable mechanism to extract intra-layer features from the input image. Building on this foundation, we retain the PAFPN method to facilitate inter-layer feature interaction, extracting rich feature details across various levels.Compared to conventional feature pyramids, GFPN not only effectively focuses on inter-layer feature information but also captures global feature details, fostering intra-layer feature interaction and generating a more comprehensive and impactful feature representation. GFPN consistently demonstrates performance improvements over object detection baselines.

Backdoor attacks in the traditional graph neural networks (GNNs) field are easily detectable due to the dilemma of confusing labels. To explore the backdoor vulnerability of GNNs and create a more stealthy backdoor attack method, a clean-label graph backdoor attack method(CGBA) in the node classification task is proposed in this paper. Differently from existing backdoor attack methods, CGBA requires neither modification of node labels nor graph structure. Specifically, to solve the problem of inconsistency between the contents and labels of the samples, CGBA selects poisoning samples in a specific target class and uses the label of sample as the target label (i.e., clean-label) after injecting triggers into the target samples. To guarantee the similarity of neighboring nodes, the raw features of the nodes are elaborately picked as triggers to further improve the concealment of the triggers. Extensive experiments results show the effectiveness of our method. When the poisoning rate is 0.04, CGBA can achieve an average attack success rate of 87.8%, 98.9%, 89.1%, and 98.5%, respectively.

Large language models (LLMs) have achieved impressive linguistic capabilities. However, a key limitation persists in their lack of human-like memory faculties. LLMs exhibit constrained memory retention across sequential interactions, hindering complex reasoning. This paper explores the potential of applying cognitive psychology's working memory frameworks, to enhance LLM architecture. The limitations of traditional LLM memory designs are analyzed, including their isolation of distinct dialog episodes and lack of persistent memory links. To address this, an innovative model is proposed incorporating a centralized Working Memory Hub and Episodic Buffer access to retain memories across episodes. This architecture aims to provide greater continuity for nuanced contextual reasoning during intricate tasks and collaborative scenarios. While promising, further research is required into optimizing episodic memory encoding, storage, prioritization, retrieval, and security. Overall, this paper provides a strategic blueprint for developing LLM agents with more sophisticated, human-like memory capabilities, highlighting memory mechanisms as a vital frontier in artificial general intelligence.

This paper proposes a new method for differentiating through optimal trajectories arising from non-convex, constrained discrete-time optimal control (COC) problems using the implicit function theorem (IFT). Previous works solve a differential Karush-Kuhn-Tucker (KKT) system for the trajectory derivative, and achieve this efficiently by solving an auxiliary Linear Quadratic Regulator (LQR) problem. In contrast, we directly evaluate the matrix equations which arise from applying variable elimination on the Lagrange multiplier terms in the (differential) KKT system. By appropriately accounting for the structure of the terms within the resulting equations, we show that the trajectory derivatives scale linearly with the number of timesteps. Furthermore, our approach allows for easy parallelization, significantly improved scalability with model size, direct computation of vector-Jacobian products and improved numerical stability compared to prior works. As an additional contribution, we unify prior works, addressing claims that computing trajectory derivatives using IFT scales quadratically with the number of timesteps. We evaluate our method on a both synthetic benchmark and four challenging, learning from demonstration benchmarks including a 6-DoF maneuvering quadrotor and 6-DoF rocket powered landing.

Identifying important nodes with strong propagation capabilities in road networks is a significant topic in the field of urban planning. However, existing methods for evaluating the importance of nodes in traffic network consider only topological information and traffic volumes, ignoring the diversity of characteristics in road networks, such as the number of lanes and average speed of road segments, limiting their performance. To solve this problem, we propose a graph learning-based framework (MGL2Rank) that integrates the rich characteristics of road network for ranking the importance of nodes. In this framework, we first develop an embedding module that contains a sampling algorithm (MGWalk) and an encoder network to learn latent representation for each road segment. MGWalk utilizes multi-graph fusion to capture the topology of the road network and establish associations among road segments based on their attributes. Then, we use the obtained node representation to learn the importance ranking of road segments. Finally, we construct a synthetic dataset for ranking tasks based on the regional road network of Shenyang city, and our ranking results on this dataset demonstrate the effectiveness of our proposed method. The data and source code of MGL2Rank are available at https://github.com/ZJ726.