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Camera traps are important tools in animal ecology for biodiversity monitoring and conservation. However, their practical application is limited by issues such as poor generalization to new and unseen locations. Images are typically associated with diverse forms of context, which may exist in different modalities. In this work, we exploit the structured context linked to camera trap images to boost out-of-distribution generalization for species classification tasks in camera traps. For instance, a picture of a wild animal could be linked to details about the time and place it was captured, as well as structured biological knowledge about the animal species. While often overlooked by existing studies, incorporating such context offers several potential benefits for better image understanding, such as addressing data scarcity and enhancing generalization. However, effectively incorporating such heterogeneous context into the visual domain is a challenging problem. To address this, we propose a novel framework that transforms species classification as link prediction in a multimodal knowledge graph (KG). This framework enables the seamless integration of diverse multimodal contexts for visual recognition. We apply this framework for out-of-distribution species classification on the iWildCam2020-WILDS and Snapshot Mountain Zebra datasets and achieve competitive performance with state-of-the-art approaches. Furthermore, our framework enhances sample efficiency for recognizing under-represented species., Comment: 12 pages, 5 figures

We propose Adjustable Molecular Representation (AdaMR), a new large-scale uniform pre-training strategy for small-molecule drugs, as a novel unified pre-training strategy. AdaMR utilizes a granularity-adjustable molecular encoding strategy, which is accomplished through a pre-training job termed molecular canonicalization, setting it apart from recent large-scale molecular models. This adaptability in granularity enriches the model's learning capability at multiple levels and improves its performance in multi-task scenarios. Specifically, the substructure-level molecular representation preserves information about specific atom groups or arrangements, influencing chemical properties and functionalities. This proves advantageous for tasks such as property prediction. Simultaneously, the atomic-level representation, combined with generative molecular canonicalization pre-training tasks, enhances validity, novelty, and uniqueness in generative tasks. All of these features work together to give AdaMR outstanding performance on a range of downstream tasks. We fine-tuned our proposed pre-trained model on six molecular property prediction tasks (MoleculeNet datasets) and two generative tasks (ZINC250K datasets), achieving state-of-the-art (SOTA) results on five out of eight tasks.

Federated learning (FL) provides a privacy-preserving approach for collaborative training of machine learning models. Given the potential data heterogeneity, it is crucial to select appropriate collaborators for each FL participant (FL-PT) based on data complementarity. Recent studies have addressed this challenge. Similarly, it is imperative to consider the inter-individual relationships among FL-PTs where some FL-PTs engage in competition. Although FL literature has acknowledged the significance of this scenario, practical methods for establishing FL ecosystems remain largely unexplored. In this paper, we extend a principle from the balance theory, namely ``the friend of my enemy is my enemy'', to ensure the absence of conflicting interests within an FL ecosystem. The extended principle and the resulting problem are formulated via graph theory and integer linear programming. A polynomial-time algorithm is proposed to determine the collaborators of each FL-PT. The solution guarantees high scalability, allowing even competing FL-PTs to smoothly join the ecosystem without conflict of interest. The proposed framework jointly considers competition and data heterogeneity. Extensive experiments on real-world and synthetic data demonstrate its efficacy compared to five alternative approaches, and its ability to establish efficient collaboration networks among FL-PTs., Comment: Accepted to AAAI-2024

Many key functionalities of optical frequency combs such as self-referencing and broad spectral access rely on coherent supercontinuum generation (SCG). While nanophotonic waveguides have emerged as a compact and power-efficient platform for SCG, their geometric degrees of freedom have not been fully utilized due to the underlying nonlinear and stochastic physics. Here, we introduce inverse design to unlock free-form waveguides for coherent SCG. The efficacy of our design is numerically and experimentally demonstrated on Si3N4 waveguides, producing flat and coherent spectra from visible to mid-infrared wavelengths. Our work has direct applications in developing chip-based broadband light sources for spectroscopy, metrology, and sensing across multiple spectral regimes.

Core-selecting combinatorial auctions (CAs) restrict the auction result in the core such that no coalitions could improve their utilities by engaging in collusion. The minimum-revenue-core (MRC) rule is a widely used core-selecting payment rule to maximize the total utilities of all bidders. However, the MRC rule can suffer from severe unfairness since it ignores individuals' utilities. To address this limitation, we propose to explore the leximin principle to achieve fairness in core-selecting CAs since the leximin principle prefers to maximize the utility of the worst-off; the resulting bidder-leximin-optimal (BLO) payment rule is then theoretically analyzed and an effective algorithm is further provided to compute the BLO outcome. Moreover, we conduct extensive experiments to show that our algorithm returns fairer utility distributions and is faster than existing algorithms of core-selecting payment rules., Comment: 8 pages, IJCAI 2023

Though diffusion models excel in image generation, their step-by-step denoising leads to slow generation speeds. Consistency training addresses this issue with single-step sampling but often produces lower-quality generations and requires high training costs. In this paper, we show that optimizing consistency training loss minimizes the Wasserstein distance between target and generated distributions. As timestep increases, the upper bound accumulates previous consistency training losses. Therefore, larger batch sizes are needed to reduce both current and accumulated losses. We propose Adversarial Consistency Training (ACT), which directly minimizes the Jensen-Shannon (JS) divergence between distributions at each timestep using a discriminator. Theoretically, ACT enhances generation quality, and convergence. By incorporating a discriminator into the consistency training framework, our method achieves improved FID scores on CIFAR10 and ImageNet 64$\times$64 and LSUN Cat 256$\times$256 datasets, retains zero-shot image inpainting capabilities, and uses less than $1/6$ of the original batch size and fewer than $1/2$ of the model parameters and training steps compared to the baseline method, this leads to a substantial reduction in resource consumption. Our code is available:https://github.com/kong13661/ACT, Comment: To appear in CVPR 2024

Language models have shown promise in various tasks but can be affected by undesired data during training, fine-tuning, or alignment. For example, if some unsafe conversations are wrongly annotated as safe ones, the model fine-tuned on these samples may be harmful. Therefore, the correctness of annotations, i.e., the credibility of the dataset, is important. This study focuses on the credibility of real-world datasets, including the popular benchmarks Jigsaw Civil Comments, Anthropic Harmless & Red Team, PKU BeaverTails & SafeRLHF, that can be used for training a harmless language model. Given the cost and difficulty of cleaning these datasets by humans, we introduce a systematic framework for evaluating the credibility of datasets, identifying label errors, and evaluating the influence of noisy labels in the curated language data, specifically focusing on unsafe comments and conversation classification. With the framework, we find and fix an average of 6.16% label errors in 11 datasets constructed from the above benchmarks. The data credibility and downstream learning performance can be remarkably improved by directly fixing label errors, indicating the significance of cleaning existing real-world datasets. We provide an open-source tool, Docta, for data cleaning at https://github.com/Docta-ai/docta., Comment: ICLR 2024

Spiking Neural Networks (SNNs), a novel brain-inspired algorithm, are garnering increased attention for their superior computation and energy efficiency over traditional artificial neural networks (ANNs). To facilitate deployment on memory-constrained devices, numerous studies have explored SNN pruning. However, these efforts are hindered by challenges such as scalability challenges in more complex architectures and accuracy degradation. Amidst these challenges, the Lottery Ticket Hypothesis (LTH) emerges as a promising pruning strategy. It posits that within dense neural networks, there exist winning tickets or subnetworks that are sparser but do not compromise performance. To explore a more structure-sparse and energy-saving model, we investigate the unique synergy of SNNs with LTH and design two novel spiking winning tickets to push the boundaries of sparsity within SNNs. Furthermore, we introduce an innovative algorithm capable of simultaneously identifying both weight and patch-level winning tickets, enabling the achievement of sparser structures without compromising on the final model's performance. Through comprehensive experiments on both RGB-based and event-based datasets, we demonstrate that our spiking lottery ticket achieves comparable or superior performance even when the model structure is extremely sparse.

Large language models (LLMs) have revolutionized the landscape of Natural Language Processing systems, but are computationally expensive. To reduce the cost without sacrificing performance, previous studies have explored various approaches to harness the potential of Small Language Models (SLMs) as cost-effective alternatives to their larger counterparts. Driven by findings that SLMs and LLMs exhibit complementary strengths in a structured knowledge extraction task, this work presents a novel SLM/LLM routing framework designed to improve computational efficiency and enhance task performance. First, exemplar pools are created to represent the types of contexts where each LM provides a more reliable answer, leveraging a sentence embedding fine-tuned so that context similarity is close to dialogue state similarity. Then, during inference, the k-nearest exemplars to the testing instance are retrieved, and the instance is routed according to majority vote. In dialogue state tracking tasks, the proposed routing framework enhances performance substantially compared to relying solely on LLMs, while reducing the computational costs by over 50%., Comment: updated version

Medical text generation aims to assist with administrative work and highlight salient information to support decision-making. To reflect the specific requirements of medical text, in this paper, we propose a set of metrics to evaluate the completeness, conciseness, and attribution of the generated text at a fine-grained level. The metrics can be computed by various types of evaluators including instruction-following (both proprietary and open-source) and supervised entailment models. We demonstrate the effectiveness of the resulting framework, DocLens, with three evaluators on three tasks: clinical note generation, radiology report summarization, and patient question summarization. A comprehensive human study shows that DocLens exhibits substantially higher agreement with the judgments of medical experts than existing metrics. The results also highlight the need to improve open-source evaluators and suggest potential directions.

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business requirements, making it even more difficult for non-experts. The quest for high-quality and efficient model development, along with the emergence of Large Language Model (LLM) Agents, has become a key focus in the industry. Leveraging the powerful analytical, planning, and decision-making capabilities of LLM, we propose a TrainerAgent system comprising a multi-agent framework including Task, Data, Model and Server agents. These agents analyze user-defined tasks, input data, and requirements (e.g., accuracy, speed), optimizing them comprehensively from both data and model perspectives to obtain satisfactory models, and finally deploy these models as online service. Experimental evaluations on classical discriminative and generative tasks in computer vision and natural language processing domains demonstrate that our system consistently produces models that meet the desired criteria. Furthermore, the system exhibits the ability to critically identify and reject unattainable tasks, such as fantastical scenarios or unethical requests, ensuring robustness and safety. This research presents a significant advancement in achieving desired models with increased efficiency and quality as compared to traditional model development, facilitated by the integration of LLM-powered analysis, decision-making, and execution capabilities, as well as the collaboration among four agents. We anticipate that our work will contribute to the advancement of research on TrainerAgent in both academic and industry communities, potentially establishing it as a new paradigm for model development in the field of AI.

LLaVA-Plus is a general-purpose multimodal assistant that expands the capabilities of large multimodal models. It maintains a skill repository of pre-trained vision and vision-language models and can activate relevant tools based on users' inputs to fulfill real-world tasks. LLaVA-Plus is trained on multimodal instruction-following data to acquire the ability to use tools, covering visual understanding, generation, external knowledge retrieval, and compositions. Empirical results show that LLaVA-Plus outperforms LLaVA in existing capabilities and exhibits new ones. It is distinct in that the image query is directly grounded and actively engaged throughout the entire human-AI interaction sessions, significantly improving tool use performance and enabling new scenarios., Comment: 25 pages, 25M file size. Project Page: https://llava-vl.github.io/llava-plus/

Consider the problem of minimizing an expected logarithmic loss over either the probability simplex or the set of quantum density matrices. This problem includes tasks such as solving the Poisson inverse problem, computing the maximum-likelihood estimate for quantum state tomography, and approximating positive semi-definite matrix permanents with the currently tightest approximation ratio. Although the optimization problem is convex, standard iteration complexity guarantees for first-order methods do not directly apply due to the absence of Lipschitz continuity and smoothness in the loss function. In this work, we propose a stochastic first-order algorithm named $B$-sample stochastic dual averaging with the logarithmic barrier. For the Poisson inverse problem, our algorithm attains an $\varepsilon$-optimal solution in $\smash{\tilde{O}}(d^2/\varepsilon^2)$ time, matching the state of the art, where $d$ denotes the dimension. When computing the maximum-likelihood estimate for quantum state tomography, our algorithm yields an $\varepsilon$-optimal solution in $\smash{\tilde{O}}(d^3/\varepsilon^2)$ time. This improves on the time complexities of existing stochastic first-order methods by a factor of $d^{\omega-2}$ and those of batch methods by a factor of $d^2$, where $\omega$ denotes the matrix multiplication exponent. Numerical experiments demonstrate that empirically, our algorithm outperforms existing methods with explicit complexity guarantees., Comment: 26 pages, AISTATS 2024

We propose a learning problem involving adapting a pre-trained source model to the target domain for classifying all classes that appeared in the source data, using target data that covers only a partial label space. This problem is practical, as it is unrealistic for the target end-users to collect data for all classes prior to adaptation. However, it has received limited attention in the literature. To shed light on this issue, we construct benchmark datasets and conduct extensive experiments to uncover the inherent challenges. We found a dilemma -- on the one hand, adapting to the new target domain is important to claim better performance; on the other hand, we observe that preserving the classification accuracy of classes missing in the target adaptation data is highly challenging, let alone improving them. To tackle this, we identify two key directions: 1) disentangling domain gradients from classification gradients, and 2) preserving class relationships. We present several effective solutions that maintain the accuracy of the missing classes and enhance the overall performance, establishing solid baselines for holistic transfer of pre-trained models with partial target data., Comment: Accepted to NeurIPS 2023 main track

Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule. In this paper we propose to use GFlowNet for sampling conformations of small molecules from the Boltzmann distribution, as determined by the molecule's energy. The proposed approach can be used in combination with energy estimation methods of different fidelity and discovers a diverse set of low-energy conformations for highly flexible drug-like molecules. We demonstrate that GFlowNet can reproduce molecular potential energy surfaces by sampling proportionally to the Boltzmann distribution.

Despite remarkable advancements in mitigating hallucinations in large language models (LLMs) by retrieval augmentation, it remains challenging to measure the reliability of LLMs using static question-answering (QA) data. Specifically, given the potential of data contamination (e.g., leading to memorization), good static benchmark performance does not ensure that model can reliably use the provided evidence for responding, which is essential to avoid hallucination when the required knowledge is new or private. Inspired by adversarial machine learning, we investigate the feasibility of automatically perturbing existing static one for dynamic evaluation. Specifically, this paper presents ReEval, an LLM-based framework using prompt chaining to perturb the original evidence for generating new test cases for evaluating the LLMs' reliability in using new evidence for answering. We implement ReEval using ChatGPT and evaluate the resulting variants of two popular open-domain QA datasets on a collection of LLMs under various prompting settings. Our generated data is human-readable and useful to trigger hallucination in LLM. Accurate models on static data are observed to produce unsupported answers from the perturbed evidence, with pronounced accuracy drops across LLMs including GPT-4. We find that our adversarial examples are transferable across all considered LLMs. The examples generated by a small model can be used to evaluate a much larger model, making our approach cost-effective., Comment: NAACL 2024 Findings

The widespread utilization of smartphones has provided extensive availability to Inertial Measurement Units, providing a wide range of sensory data that can be advantageous for the detection of transportation modes. The objective of this study is to propose a novel end-to-end approach to effectively explore a reduced amount of sensory data collected from a smartphone to achieve accurate mode detection in common daily traveling activities. Our approach, called Feature Pyramid biLSTM (FPbiLSTM), is characterized by its ability to reduce the number of sensors required and processing demands, resulting in a more efficient modeling process without sacrificing the quality of the outcomes than the other current models. FPbiLSTM extends an existing CNN biLSTM model with the Feature Pyramid Network, leveraging the advantages of both shallow layer richness and deeper layer feature resilience for capturing temporal moving patterns in various transportation modes. It exhibits an excellent performance by employing the data collected from only three out of seven sensors, i.e. accelerometers, gyroscopes, and magnetometers, in the 2018 Sussex-Huawei Locomotion (SHL) challenge dataset, attaining a noteworthy accuracy of 95.1% and an F1-score of 94.7% in detecting eight different transportation modes.

Reconstructing transparent objects using affordable RGB-D cameras is a persistent challenge in robotic perception due to inconsistent appearances across views in the RGB domain and inaccurate depth readings in each single-view. We introduce a two-stage pipeline for reconstructing transparent objects tailored for mobile platforms. In the first stage, off-the-shelf monocular object segmentation and depth completion networks are leveraged to predict the depth of transparent objects, furnishing single-view shape prior. Subsequently, we propose Epipolar-guided Optical Flow (EOF) to fuse several single-view shape priors from the first stage to a cross-view consistent 3D reconstruction given camera poses estimated from opaque part of the scene. Our key innovation lies in EOF which employs boundary-sensitive sampling and epipolar-line constraints into optical flow to accurately establish 2D correspondences across multiple views on transparent objects. Quantitative evaluations demonstrate that our pipeline significantly outperforms baseline methods in 3D reconstruction quality, paving the way for more adept robotic perception and interaction with transparent objects., Comment: IEEE-RAS Humanoids 2023 paper, 8 pages, 6 figures

Robotic technologies are becoming increasingly popular in dentistry due to the high level of precision required in delicate dental procedures. Most dental robots available today are designed for implant surgery, helping dentists to accurately place implants in the desired position and depth. In this paper, we introduce the DentiBot, the first robot specifically designed for dental endodontic treatment. The DentiBot is equipped with a force and torque sensor, as well as a string-based Patient Tracking Module, allowing for real-time monitoring of endodontic file contact and patient movement. We propose a 6-DoF hybrid position/force controller that enables autonomous adjustment of the surgical path and compensation for patient movement, while also providing protection against endodontic file fracture. In addition, a file flexibility model is incorporated to compensate for file bending. Pre-clinical evaluations performed on acrylic root canal models and resin teeth confirm the feasibility of the DentiBot in assisting endodontic treatment.

ELECTRA pre-trains language models by detecting tokens in a sequence that have been replaced by an auxiliary model. Although ELECTRA offers a significant boost in efficiency, its potential is constrained by the training cost brought by the auxiliary model. Notably, this model, which is jointly trained with the main model, only serves to assist the training of the main model and is discarded post-training. This results in a substantial amount of training cost being expended in vain. To mitigate this issue, we propose Fast-ELECTRA, which leverages an existing language model as the auxiliary model. To construct a learning curriculum for the main model, we smooth its output distribution via temperature scaling following a descending schedule. Our approach rivals the performance of state-of-the-art ELECTRA-style pre-training methods, while significantly eliminating the computation and memory cost brought by the joint training of the auxiliary model. Our method also reduces the sensitivity to hyper-parameters and enhances the pre-training stability.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods., Comment: Accepted by ICLR 2024

The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce FoldFlow, a series of novel generative models of increasing modeling power based on the flow-matching paradigm over $3\mathrm{D}$ rigid motions -- i.e. the group $\text{SE}(3)$ -- enabling accurate modeling of protein backbones. We first introduce FoldFlow-Base, a simulation-free approach to learning deterministic continuous-time dynamics and matching invariant target distributions on $\text{SE}(3)$. We next accelerate training by incorporating Riemannian optimal transport to create FoldFlow-OT, leading to the construction of both more simple and stable flows. Finally, we design FoldFlow-SFM, coupling both Riemannian OT and simulation-free training to learn stochastic continuous-time dynamics over $\text{SE}(3)$. Our family of FoldFlow, generative models offers several key advantages over previous approaches to the generative modeling of proteins: they are more stable and faster to train than diffusion-based approaches, and our models enjoy the ability to map any invariant source distribution to any invariant target distribution over $\text{SE}(3)$. Empirically, we validate FoldFlow, on protein backbone generation of up to $300$ amino acids leading to high-quality designable, diverse, and novel samples., Comment: ICLR 2024 Spotlight

Large Language Models (LLMs) and Large Multimodal Models (LMMs) exhibit impressive problem-solving skills in many tasks and domains, but their ability in mathematical reasoning in visual contexts has not been systematically studied. To bridge this gap, we present MathVista, a benchmark designed to combine challenges from diverse mathematical and visual tasks. It consists of 6,141 examples, derived from 28 existing multimodal datasets involving mathematics and 3 newly created datasets (i.e., IQTest, FunctionQA, and PaperQA). Completing these tasks requires fine-grained, deep visual understanding and compositional reasoning, which all state-of-the-art foundation models find challenging. With MathVista, we have conducted a comprehensive, quantitative evaluation of 12 prominent foundation models. The best-performing GPT-4V model achieves an overall accuracy of 49.9%, substantially outperforming Bard, the second-best performer, by 15.1%. Our in-depth analysis reveals that the superiority of GPT-4V is mainly attributed to its enhanced visual perception and mathematical reasoning. However, GPT-4V still falls short of human performance by 10.4%, as it often struggles to understand complex figures and perform rigorous reasoning. This significant gap underscores the critical role that MathVista will play in the development of general-purpose AI agents capable of tackling mathematically intensive and visually rich real-world tasks. We further explore the new ability of self-verification, the application of self-consistency, and the interactive chatbot capabilities of GPT-4V, highlighting its promising potential for future research. The project is available at https://mathvista.github.io/., Comment: 116 pages, 120 figures. Accepted to ICLR 2024