Generalized Flow Matching for Transition Dynamics Modeling

Simulating transition dynamics between metastable states is a fundamental challenge in dynamical systems and stochastic processes with wide real-world applications in understanding protein folding, chemical reactions and neural activities. However, the computational challenge often lies on sampling exponentially many paths in which only a small fraction ends in the target metastable state due to existence of high energy barriers. To amortize the cost, we propose a data-driven approach to warm-up the simulation by learning nonlinear interpolations from local dynamics. Specifically, we infer a potential energy function from local dynamics data. To find plausible paths between two metastable states, we formulate a generalized flow matching framework that learns a vector field to sample propable paths between the two marginal densities under the learned energy function. Furthermore, we iteratively refine the model by assigning importance weights to the sampled paths and buffering more likely paths for training. We validate the effectiveness of the proposed method to sample probable paths on both synthetic and real-world molecular systems.

Mean Field-based Dynamic Backoff Optimization for MIMO-enabled Grant-Free NOMA in Massive IoT Networks

In the 6G Internet of Things (IoT) paradigm, unprecedented challenges will be raised to provide massive connectivity, ultra-low latency, and energy efficiency for ultra-dense IoT devices. To address these challenges, we explore the non-orthogonal multiple access (NOMA) based grant-free random access (GFRA) schemes in the cellular uplink to support massive IoT devices with high spectrum efficiency and low access latency. In particular, we focus on optimizing the backoff strategy of each device when transmitting time-sensitive data samples to a multiple-input multiple-output (MIMO)-enabled base station subject to energy constraints. To cope with the dynamic varied channel and the severe uplink interference due to the uncoordinated grant-free access, we formulate the optimization problem as a multi-user non-cooperative dynamic stochastic game (MUN-DSG). To avoid dimensional disaster as the device number grows large, the optimization problem is transformed into a mean field game (MFG), and its Nash equilibrium can be achieved by solving the corresponding Hamilton-Jacobi-Bellman (HJB) and Fokker-Planck-Kolmogorov (FPK) equations. Thus, a Mean Field-based Dynamic Backoff (MFDB) scheme is proposed as the optimal GFRA solution for each device. Extensive simulation has been fulfilled to compare the proposed MFDB with contemporary random access approaches like access class barring (ACB), slotted-Additive Links On-line Hawaii Area (ALOHA), and minimum backoff (MB) under both static and dynamic channels, and the results proved that MFDB can achieve the least access delay and cumulated cost during multiple transmission frames. Keywords: 6G; Internet of Things; grant-free random access; NOMA; dynamic backoff

Grounded-VideoLLM: Sharpening Fine-grained Temporal Grounding in Video Large Language Models

Video Large Language Models (Video-LLMs) have demonstrated remarkable capabilities in coarse-grained video understanding, however, they struggle with fine-grained temporal grounding. In this paper, we introduce Grounded-VideoLLM, a novel Video-LLM adept at perceiving and reasoning over specific video moments in a fine-grained manner. We identify that current Video-LLMs have limitations for fine-grained video understanding since they lack effective temporal modeling and timestamp representation. In light of this, we sharpen our model by incorporating (1) an additional temporal stream to encode the relationships between frames and (2) discrete temporal tokens enriched with specific time knowledge to represent timestamps. To optimize the training of Grounded-VideoLLM, we employ a multi-stage training scheme, beginning with simple video-captioning tasks and progressively introducing video temporal grounding tasks of increasing complexity. To further enhance Grounded-VideoLLM's temporal reasoning capability, we also curate a grounded VideoQA dataset by an automatic annotation pipeline. Extensive experiments demonstrate that Grounded-VideoLLM not only excels in fine-grained grounding tasks such as temporal sentence grounding, dense video captioning, and grounded VideoQA, but also shows great potential as a versatile video assistant for general video understanding.

Spatio-Temporal Partial Sensing Forecast for Long-term Traffic

Traffic forecasting uses recent measurements by sensors installed at chosen locations to forecast the future road traffic. Existing work either assumes all locations are equipped with sensors or focuses on short-term forecast. This paper studies partial sensing traffic forecast of long-term traffic, assuming sensors only at some locations. The study is important in lowering the infrastructure investment cost in traffic management since deploying sensors at all locations could incur prohibitively high cost. However, the problem is challenging due to the unknown distribution at unsensed locations, the intricate spatio-temporal correlation in long-term forecasting, as well as noise in data and irregularities in traffic patterns (e.g., road closure). We propose a Spatio-Temporal Partial Sensing (STPS) forecast model for long-term traffic prediction, with several novel contributions, including a rank-based embedding technique to capture irregularities and overcome noise, a spatial transfer matrix to overcome the spatial distribution shift from permanently sensed locations to unsensed locations, and a multi-step training process that utilizes all available data to successively refine the model parameters for better accuracy. Extensive experiments on several real-world traffic datasets demonstrate that STPS outperforms the state-of-the-art and achieves superior accuracy in partial sensing long-term forecasting.

Hybrid Heuristic Algorithms for Adiabatic Quantum Machine Learning Models

The recent developments of adiabatic quantum machine learning (AQML) methods and applications based on the quadratic unconstrained binary optimization (QUBO) model have received attention from academics and practitioners. Traditional machine learning methods such as support vector machines, balanced k-means clustering, linear regression, Decision Tree Splitting, Restricted Boltzmann Machines, and Deep Belief Networks can be transformed into a QUBO model. The training of adiabatic quantum machine learning models is the bottleneck for computation. Heuristics-based quantum annealing solvers such as Simulated Annealing and Multiple Start Tabu Search (MSTS) are implemented to speed up the training of AQML based on the QUBO model. The main purpose of this paper is to present a hybrid heuristic embedding an r-flip strategy to solve large-scale QUBO with an improved solution and shorter computing time compared to the state-of-the-art MSTS method. The results of the substantial computational experiments are reported to compare an r-flip strategy embedded hybrid heuristic and a multiple start tabu search algorithm on a set of benchmark instances and three large-scale QUBO instances. The r-flip strategy embedded algorithm provides very high-quality solutions within the CPU time limits of 60 and 600 seconds.

A Proposed S.C.O.R.E. Evaluation Framework for Large Language Models : Safety, Consensus, Objectivity, Reproducibility and Explainability

A comprehensive qualitative evaluation framework for large language models (LLM) in healthcare that expands beyond traditional accuracy and quantitative metrics needed. We propose 5 key aspects for evaluation of LLMs: Safety, Consensus, Objectivity, Reproducibility and Explainability (S.C.O.R.E.). We suggest that S.C.O.R.E. may form the basis for an evaluation framework for future LLM-based models that are safe, reliable, trustworthy, and ethical for healthcare and clinical applications.

Enhancing supply chain security with automated machine learning

This study tackles the complexities of global supply chains, which are increasingly vulnerable to disruptions caused by port congestion, material shortages, and inflation. To address these challenges, we explore the application of machine learning methods, which excel in predicting and optimizing solutions based on large datasets. Our focus is on enhancing supply chain security through fraud detection, maintenance prediction, and material backorder forecasting. We introduce an automated machine learning framework that streamlines data analysis, model construction, and hyperparameter optimization for these tasks. By automating these processes, our framework improves the efficiency and effectiveness of supply chain security measures. Our research identifies key factors that influence machine learning performance, including sampling methods, categorical encoding, feature selection, and hyperparameter optimization. We demonstrate the importance of considering these factors when applying machine learning to supply chain challenges. Traditional mathematical programming models often struggle to cope with the complexity of large-scale supply chain problems. Our study shows that machine learning methods can provide a viable alternative, particularly when dealing with extensive datasets and complex patterns. The automated machine learning framework presented in this study offers a novel approach to supply chain security, contributing to the existing body of knowledge in the field. Its comprehensive automation of machine learning processes makes it a valuable contribution to the domain of supply chain management.

A Unified Framework for Integer Programming Formulation of Graph Matching Problems

Graph theory has been a powerful tool in solving difficult and complex problems arising in all disciplines. In particular, graph matching is a classical problem in pattern analysis with enormous applications. Many graph problems have been formulated as a mathematical program and then solved using exact, heuristic, and/or approximated-guaranteed procedures. On the other hand, graph theory has been a powerful tool in visualizing and understanding complex mathematical programming problems, especially integer programs. Formulating a graph problem as a natural integer program (IP) is often a challenging task. However, an IP formulation of the problem has many advantages. Several researchers have noted the need for natural IP formulation of graph theoretic problems. The present study aims to provide a unified framework for IP formulation of graph-matching problems. Although there are many surveys on graph matching problems, none is concerned with IP formulation. This paper is the first to provide a comprehensive IP formulation for such problems. The framework includes a variety of graph optimization problems in the literature. While these problems have been studied by different research communities, however, the framework presented here helps to bring efforts from different disciplines to tackle such diverse and complex problems. We hope the present study can significantly help to simplify some of the difficult problems arising in practice, especially in pattern analysis.

Deep MSFOP: Multiple Spectral filter Operators Preservation in Deep Functional Maps for Unsupervised Shape Matching

We propose a novel constraint called Multiple Spectral filter Operators Preservation (MSFOR) to compute functional maps and based on it, develop an efficient deep functional map architecture called Deep MSFOP for shape matching. The core idea is that, instead of using the general descriptor preservation constraint, we require our maps to preserve multiple spectral filter operators. This allows us to incorporate more informative geometrical information, contained in different frequency bands of functions, into the functional map computing. This can be confirmed by that some previous techniques like wavelet preservation and LBO commutativity are actually our special cases. Moreover, we also develop a very efficient way to compute the maps with MSFOP constraint, which can be conveniently embedded into the deep learning, especially having learnable filter operators. Utilizing the above results, we finally design our Deep MSFOP pipeline, equipped with a suitable unsupervised loss jointly penalizing the functional map and the underlying pointwise map. Our deep functional map has notable advantages, including that the functional map is more geometrically informative and guaranteed to be proper, and the computing is numerically stable. Extensive experimental results on different datasets demonstrate that our approach outperforms the existing state-of-the-art methods, especially in challenging settings like non-isometric and inconsistent topology datasets.

Weakly Supervised Gaussian Contrastive Grounding with Large Multimodal Models for Video Question Answering

Video Question Answering (VideoQA) aims to answer natural language questions based on the information observed in videos. Despite the recent success of Large Multimodal Models (LMMs) in image-language understanding and reasoning, they deal with VideoQA insufficiently by simply taking uniformly sampled frames as visual inputs, which ignores question-relevant visual clues. Moreover, there are no human annotations for question-critical timestamps in existing VideoQA datasets. In light of this, we propose a novel weakly supervised framework to enforce the LMMs to reason out the answers with question-critical moments as visual inputs. Specifically, we fuse the question and answer pairs as event descriptions to find multiple keyframes as target moments, which will be pseudo-labels. With these pseudo-labels as additionally weak supervision, we devise a lightweight Gaussian-based Contrastive Grounding (GCG) module. GCG learns multiple Gaussian functions to characterize the temporal structure of the video, and sample question-critical frames as positive moments to be the visual inputs of LMMs. Extensive experiments on several VideoQA benchmarks verify the effectiveness of our framework, and we achieve substantial improvements compared to previous state-of-the-art methods.