Fine-tuning large language models (LLMs) has become essential for adapting pretrained models to specific downstream tasks. In this paper, we propose Linear Chain Transformation (LinChain), a novel approach that introduces a sequence of linear transformations during fine-tuning to enrich optimization dynamics. By incorporating multiple linear transformations into the parameter update process, LinChain expands the effective rank of updates and enhances the model's ability to learn complex task-specific representations. We demonstrate that this method significantly improves the performance of LLM fine-tuning over state-of-the-art methods by providing more flexible optimization paths during training, while maintaining the inference efficiency of the resulting model. Our experiments on various benchmark tasks show that LinChain leads to better generalization, fewer learnable parameters, and improved task adaptation, making it a compelling strategy for LLM fine-tuning.

Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing state-of-the-art approaches either resort to large scale transformer-based models that diffuse over conformer fields, or use computationally expensive methods to generate initial structures and diffuse over torsion angles. In this work, we introduce Equivariant Transformer Flow (ET-Flow). We showcase that a well-designed flow matching approach with equivariance and harmonic prior alleviates the need for complex internal geometry calculations and large architectures, contrary to the prevailing methods in the field. Our approach results in a straightforward and scalable method that directly operates on all-atom coordinates with minimal assumptions. With the advantages of equivariance and flow matching, ET-Flow significantly increases the precision and physical validity of the generated conformers, while being a lighter model and faster at inference. Code is available https://github.com/shenoynikhil/ETFlow.

Team Coordination on Graphs with Risky Edges (\textsc{tcgre}) is a recently proposed problem, in which robots find paths to their goals while considering possible coordination to reduce overall team cost. However, \textsc{tcgre} assumes that the \emph{entire} environment is available to a \emph{homogeneous} robot team with \emph{ubiquitous} communication. In this paper, we study an extended version of \textsc{tcgre}, called \textsc{hpr-tcgre}, with three relaxations: Heterogeneous robots, Partial observability, and Realistic communication. To this end, we form a new combinatorial optimization problem on top of \textsc{tcgre}. After analysis, we divide it into two sub-problems, one for robots moving individually, another for robots in groups, depending on their communication availability. Then, we develop an algorithm that exploits real-time partial maps to solve local shortest path(s) problems, with a A*-like sub-goal(s) assignment mechanism that explores potential coordination opportunities for global interests. Extensive experiments indicate that our algorithm is able to produce team coordination behaviors in order to reduce overall cost even with our three relaxations.

The field of quantum machine learning is a promising way to lead to a revolution in intelligent data processing methods. In this way, a hybrid learning method based on classic kernel methods is proposed. This proposal also requires the development of a quantum algorithm for the calculation of internal products between vectors of continuous values. In order for this to be possible, it was necessary to make adaptations to the classic kernel method, since it is necessary to consider the limitations imposed by the Hilbert space of the quantum processor. As a test case, we applied this new algorithm to learn to classify whether new points generated randomly, in a finite square located under a plane, were found inside or outside a circle located inside this square. It was found that the algorithm was able to correctly detect new points in 99% of the samples tested, with a small difference due to considering the radius slightly larger than the ideal. However, the kernel method was able to perform classifications correctly, as well as the internal product algorithm successfully performed the internal product calculations using quantum resources. Thus, the present work represents a contribution to the area, proposing a new model of machine learning accessible to both physicists and computer scientists.

In recent years, spatio-temporal graph neural networks (GNNs) have attracted considerable interest in the field of time series analysis, due to their ability to capture dependencies among variables and across time points. The objective of the presented systematic literature review is hence to provide a comprehensive overview of the various modeling approaches and application domains of GNNs for time series classification and forecasting. A database search was conducted, and over 150 journal papers were selected for a detailed examination of the current state-of-the-art in the field. This examination is intended to offer to the reader a comprehensive collection of proposed models, links to related source code, available datasets, benchmark models, and fitting results. All this information is hoped to assist researchers in future studies. To the best of our knowledge, this is the first systematic literature review presenting a detailed comparison of the results of current spatio-temporal GNN models in different domains. In addition, in its final part this review discusses current limitations and challenges in the application of spatio-temporal GNNs, such as comparability, reproducibility, explainability, poor information capacity, and scalability.

The rapid evolution of Large Language Models (LLMs) offers promising potential to alleviate the global scarcity of mental health professionals. However, LLMs' alignment with essential mental health counseling competencies remains understudied. We introduce CounselingBench, a novel NCMHCE-based benchmark evaluating LLMs across five key mental health counseling competencies. Testing 22 general-purpose and medical-finetuned LLMs, we find frontier models exceed minimum thresholds but fall short of expert-level performance, with significant variations: they excel in Intake, Assessment & Diagnosis yet struggle with Core Counseling Attributes and Professional Practice & Ethics. Medical LLMs surprisingly underperform generalist models accuracy-wise, while at the same time producing slightly higher-quality justifications but making more context-related errors. Our findings highlight the complexities of developing AI systems for mental health counseling, particularly for competencies requiring empathy and contextual understanding. We found that frontier LLMs perform at a level exceeding the minimal required level of aptitude for all key mental health counseling competencies, but fall short of expert-level performance, and that current medical LLMs do not significantly improve upon generalist models in mental health counseling competencies. This underscores the critical need for specialized, mental health counseling-specific fine-tuned LLMs that rigorously aligns with core competencies combined with appropriate human supervision before any responsible real-world deployment can be considered.

Last few years have seen unprecedented advances in capabilities of Large Language Models (LLMs). These advancements promise to deeply benefit a vast array of application domains. However, due to their immense size, performing inference with LLMs is both costly and slow. Consequently, a plethora of recent work has proposed strategies to enhance inference efficiency, e.g., quantization, pruning, and caching. These acceleration strategies reduce the inference cost and latency, often by several factors, while maintaining much of the predictive performance measured via common benchmarks. In this work, we explore another critical aspect of LLM performance: demographic bias in model generations due to inference acceleration optimizations. Using a wide range of metrics, we probe bias in model outputs from a number of angles. Analysis of outputs before and after inference acceleration shows significant change in bias. Worryingly, these bias effects are complex and unpredictable. A combination of an acceleration strategy and bias type may show little bias change in one model but may lead to a large effect in another. Our results highlight a need for in-depth and case-by-case evaluation of model bias after it has been modified to accelerate inference.

Generative models such as Large Language Models (LLM) and Multimodal Large Language models (MLLMs) trained on massive web corpora can memorize and disclose individuals' confidential and private data, raising legal and ethical concerns. While many previous works have addressed this issue in LLM via machine unlearning, it remains largely unexplored for MLLMs. To tackle this challenge, we introduce Multimodal Large Language Model Unlearning Benchmark (MLLMU-Bench), a novel benchmark aimed at advancing the understanding of multimodal machine unlearning. MLLMU-Bench consists of 500 fictitious profiles and 153 profiles for public celebrities, each profile feature over 14 customized question-answer pairs, evaluated from both multimodal (image+text) and unimodal (text) perspectives. The benchmark is divided into four sets to assess unlearning algorithms in terms of efficacy, generalizability, and model utility. Finally, we provide baseline results using existing generative model unlearning algorithms. Surprisingly, our experiments show that unimodal unlearning algorithms excel in generation and cloze tasks, while multimodal unlearning approaches perform better in classification tasks with multimodal inputs.

Sequential recommendation aims to predict the next item which interests users via modeling their interest in items over time. Most of the existing works on sequential recommendation model users' dynamic interest in specific items while overlooking users' static interest revealed by some static attribute information of items, e.g., category, or brand. Moreover, existing works often only consider the positive excitation of a user's historical interactions on his/her next choice on candidate items while ignoring the commonly existing negative excitation, resulting in insufficient modeling dynamic interest. The overlook of static interest and negative excitation will lead to incomplete interest modeling and thus impede the recommendation performance. To this end, in this paper, we propose modeling both static interest and negative excitation for dynamic interest to further improve the recommendation performance. Accordingly, we design a novel Static-Dynamic Interest Learning (SDIL) framework featured with a novel Temporal Positive and Negative Excitation Modeling (TPNE) module for accurate sequential recommendation. TPNE is specially designed for comprehensively modeling dynamic interest based on temporal positive and negative excitation learning. Extensive experiments on three real-world datasets show that SDIL can effectively capture both static and dynamic interest and outperforms state-of-the-art baselines.

Current trends in Machine Learning prefer explainability even when it comes at the cost of performance. Therefore, explainable AI methods are particularly important in the field of Fraud Detection. This work investigates the applicability of Differentiable Inductive Logic Programming (DILP) as an explainable AI approach to Fraud Detection. Although the scalability of DILP is a well-known issue, we show that with some data curation such as cleaning and adjusting the tabular and numerical data to the expected format of background facts statements, it becomes much more applicable. While in processing it does not provide any significant advantage on rather more traditional methods such as Decision Trees, or more recent ones like Deep Symbolic Classification, it still gives comparable results. We showcase its limitations and points to improve, as well as potential use cases where it can be much more useful compared to traditional methods, such as recursive rule learning.