SearcharxivSearch

arXiv subjects

Piotr Sankowski

Publications and source records attributed to Piotr Sankowski.

At least 19 recordsLinked to original sources

Decoupled Relative Learning Rate Schedules

In this work, we introduce a novel approach for optimizing LLM training by adjusting learning rates across weights of different components in Transformer models. Traditional methods often apply a uniform learning rate across all network layers, potentially overlooking the unique dynamics of each part. Remarkably, our introduced relative learning rates, RLRS, method accelerates the training process by up to $23\%$, particularly in complex models such as Mixture of Experts (MoE). Hyperparameters of RLRS can be efficiently tuned on smaller models and then effectively reused on models up to $27\times$ larger. This simple and effective method results in a substantial reduction in training time and computational resources, offering a practical and scalable solution for optimizing large-scale neural networks.

cs.LG

VARSHAP: Addressing Global Dependency Problems in Explainable AI with Variance-Based Local Feature Attribution

Existing feature attribution methods like SHAP often suffer from global dependence, failing to capture true local model behavior. This paper introduces VARSHAP, a novel model-agnostic local feature attribution method which uses the reduction of prediction variance as the key importance metric of features. Building upon Shapley value framework, VARSHAP satisfies the key Shapley axioms, but, unlike SHAP, is resilient to global data distribution shifts. Experiments on synthetic and real-world datasets demonstrate that VARSHAP outperforms popular methods such as KernelSHAP or LIME, both quantitatively and qualitatively.

cs.LG

EXALT: EXplainable ALgorithmic Tools for Optimization Problems

Algorithmic solutions have significant potential to improve decision-making across various domains, from healthcare to e-commerce. However, the widespread adoption of these solutions is hindered by a critical challenge: the lack of human-interpretable explanations. Current approaches to Explainable AI (XAI) predominantly focus on complex machine learning models, often producing brittle and non-intuitive explanations. This project proposes a novel approach to developing explainable algorithms by starting with optimization problems, specifically the assignment problem. The developed software library enriches basic algorithms with human-understandable explanations through four key methodologies: generating meaningful alternative solutions, creating robust solutions through input perturbation, generating concise decision trees and providing reports with comprehensive explanation of the results. Currently developed tools are often designed with specific clustering algorithms in mind, which limits their adaptability and flexibility to incorporate alternative techniques. Additionally, many of these tools fail to integrate expert knowledge, which could enhance the clustering process by providing valuable insights and context. This lack of adaptability and integration can hinder the effectiveness and robustness of the clustering outcomes in various applications. The represents a step towards making algorithmic solutions more transparent, trustworthy, and accessible. By collaborating with industry partners in sectors such as sales, we demonstrate the practical relevance and transformative potential of our approach.

cs.LG

Since Faithfulness Fails: The Performance Limits of Neural Causal Discovery

Neural causal discovery methods have recently improved in terms of scalability and computational efficiency. However, our systematic evaluation highlights significant room for improvement in their accuracy when uncovering causal structures. We identify a fundamental limitation: neural networks cannot reliably distinguish between existing and non-existing causal relationships in the finite sample regime. Our experiments reveal that neural networks, as used in contemporary causal discovery approaches, lack the precision needed to recover ground-truth graphs, even for small graphs and relatively large sample sizes. Furthermore, we identify the faithfulness property as a critical bottleneck: (i) it is likely to be violated across any reasonable dataset size range, and (ii) its violation directly undermines the performance of neural discovery methods. These findings lead us to conclude that progress within the current paradigm is fundamentally constrained, necessitating a paradigm shift in this domain.

cs.LG

Joint MoE Scaling Laws: Mixture of Experts Can Be Memory Efficient

Mixture of Experts (MoE) architectures have significantly increased computational efficiency in both research and real-world applications of large-scale machine learning models. However, their scalability and efficiency under memory constraints remain relatively underexplored. In this work, we present joint scaling laws for dense and MoE models, incorporating key factors such as the number of active parameters, dataset size, and the number of experts. Our findings provide a principled framework for selecting the optimal MoE configuration under fixed memory and compute budgets. Surprisingly, we show that MoE models can be more memory-efficient than dense models, contradicting conventional wisdom. To derive and validate the theoretical predictions of our scaling laws, we conduct over 280 experiments with up to 2.7B active parameters and up to 5B total parameters. These results offer actionable insights for designing and deploying MoE models in practical large-scale training scenarios.

cs.LG

Faster Semi-streaming Matchings via Alternating Trees

We design a deterministic algorithm for the $(1+\epsilon)$-approximate maximum matching problem. Our primary result demonstrates that this problem can be solved in $O(\epsilon^{-6})$ semi-streaming passes, improving upon the $O(\epsilon^{-19})$ pass-complexity algorithm by [Fischer, Mitrovi\'c, and Uitto, STOC'22]. This contributes substantially toward resolving Open question 2 from [Assadi, SOSA'24]. Leveraging the framework introduced in [FMU'22], our algorithm achieves an analogous round complexity speed-up for computing a $(1+\epsilon)$-approximate maximum matching in both the Massively Parallel Computation (MPC) and CONGEST models. The data structures maintained by our algorithm are formulated using blossom notation and represented through alternating trees. This approach enables a simplified correctness analysis by treating specific components as if operating on bipartite graphs, effectively circumventing certain technical intricacies present in prior work.

cs.DS

PUB: Plot Understanding Benchmark and Dataset for Evaluating Large Language Models on Synthetic Visual Data Interpretation

The ability of large language models (LLMs) to interpret visual representations of data is crucial for advancing their application in data analysis and decision-making processes. This paper presents a novel synthetic dataset designed to evaluate the proficiency of LLMs in interpreting various forms of data visualizations, including plots like time series, histograms, violins, boxplots, and clusters. Our dataset is generated using controlled parameters to ensure comprehensive coverage of potential real-world scenarios. We employ multimodal text prompts with questions related to visual data in images to benchmark several state-of-the-art models like ChatGPT or Gemini, assessing their understanding and interpretative accuracy. To ensure data integrity, our benchmark dataset is generated automatically, making it entirely new and free from prior exposure to the models being tested. This strategy allows us to evaluate the models' ability to truly interpret and understand the data, eliminating possibility of pre-learned responses, and allowing for an unbiased evaluation of the models' capabilities. We also introduce quantitative metrics to assess the performance of the models, providing a robust and comprehensive evaluation tool. Benchmarking several state-of-the-art LLMs with this dataset reveals varying degrees of success, highlighting specific strengths and weaknesses in interpreting diverse types of visual data. The results provide valuable insights into the current capabilities of LLMs and identify key areas for improvement. This work establishes a foundational benchmark for future research and development aimed at enhancing the visual interpretative abilities of language models. In the future, improved LLMs with robust visual interpretation skills can significantly aid in automated data analysis, scientific research, educational tools, and business intelligence applications.

cs.CL

Wait, that's not an option: LLMs Robustness with Incorrect Multiple-Choice Options

This work introduces a novel framework for evaluating LLMs' capacity to balance instruction-following with critical reasoning when presented with multiple-choice questions containing no valid answers. Through systematic evaluation across arithmetic, domain-specific knowledge, and high-stakes medical decision tasks, we demonstrate that post-training aligned models often default to selecting invalid options, while base models exhibit improved refusal capabilities that scale with model size. Our analysis reveals that alignment techniques, though intended to enhance helpfulness, can inadvertently impair models' reflective judgment--the ability to override default behaviors when faced with invalid options. We additionally conduct a parallel human study showing similar instruction-following biases, with implications for how these biases may propagate through human feedback datasets used in alignment. We provide extensive ablation studies examining the impact of model size, training techniques, and prompt engineering. Our findings highlight fundamental tensions between alignment optimization and preservation of critical reasoning capabilities, with important implications for developing more robust AI systems for real-world deployment.

cs.CL

Fully Dynamic Shortest Paths in Sparse Digraphs

We study the exact fully dynamic shortest paths problem. For real-weighted directed graphs, we show a deterministic fully dynamic data structure with $\tilde{O}(mn^{4/5})$ worst-case update time processing arbitrary $s,t$-distance queries in $\tilde{O}(n^{4/5})$ time. This constitutes the first non-trivial update/query tradeoff for this problem in the regime of sparse weighted directed graphs.

cs.DS

In-Context Learning of Physical Properties: Few-Shot Adaptation to Out-of-Distribution Molecular Graphs

Large language models manifest the ability of few-shot adaptation to a sequence of provided examples. This behavior, known as in-context learning, allows for performing nontrivial machine learning tasks during inference only. In this work, we address the question: can we leverage in-context learning to predict out-of-distribution materials properties? However, this would not be possible for structure property prediction tasks unless an effective method is found to pass atomic-level geometric features to the transformer model. To address this problem, we employ a compound model in which GPT-2 acts on the output of geometry-aware graph neural networks to adapt in-context information. To demonstrate our model's capabilities, we partition the QM9 dataset into sequences of molecules that share a common substructure and use them for in-context learning. This approach significantly improves the performance of the model on out-of-distribution examples, surpassing the one of general graph neural network models.

cs.LG

Dynamic PageRank: Algorithms and Lower Bounds

We consider the PageRank problem in the dynamic setting, where the goal is to explicitly maintain an approximate PageRank vector $π\in \mathbb{R}^n$ for a graph under a sequence of edge insertions and deletions. Our main result is a complete characterization of the complexity of dynamic PageRank maintenance for both multiplicative and additive ($L_1$) approximations. First, we establish matching lower and upper bounds for maintaining additive approximate PageRank in both incremental and decremental settings. In particular, we demonstrate that in the worst-case $(1/α)^{Θ(\log \log n)}$ update time is necessary and sufficient for this problem, where $α$ is the desired additive approximation. On the other hand, we demonstrate that the commonly employed ForwardPush approach performs substantially worse than this optimal runtime. Specifically, we show that ForwardPush requires $Ω(n^{1-δ})$ time per update on average, for any $δ> 0$, even in the incremental setting. For multiplicative approximations, however, we demonstrate that the situation is significantly more challenging. Specifically, we prove that any algorithm that explicitly maintains a constant factor multiplicative approximation of the PageRank vector of a directed graph must have amortized update time $Ω(n^{1-δ})$, for any $δ> 0$, even in the incremental setting, thereby resolving a 13-year old open question of Bahmani et al.~(VLDB 2010). This sharply contrasts with the undirected setting, where we show that $\rm{poly}\ \log n$ update time is feasible, even in the fully dynamic setting under oblivious adversary.

cs.DS

Online Multi-level Aggregation with Delays and Stochastic Arrivals

This paper presents a new research direction for online Multi-Level Aggregation (MLA) with delays. In this problem, we are given an edge-weighted rooted tree $T$, and we have to serve a sequence of requests arriving at its vertices in an online manner. Each request $r$ is characterized by two parameters: its arrival time $t(r)$ and location $l(r)$ (a vertex). Once a request $r$ arrives, we can either serve it immediately or postpone this action until any time $t > t(r)$. We can serve several pending requests at the same time, and the service cost of a service corresponds to the weight of the subtree that contains all the requests served and the root of $T$. Postponing the service of a request $r$ to time $t > t(r)$ generates an additional delay cost of $t - t(r)$. The goal is to serve all requests in an online manner such that the total cost (i.e., the total sum of service and delay costs) is minimized. The current best algorithm for this problem achieves a competitive ratio of $O(d^2)$ (Azar and Touitou, FOCS'19), where $d$ denotes the depth of the tree. Here, we consider a stochastic version of MLA where the requests follow a Poisson arrival process. We present a deterministic online algorithm which achieves a constant ratio of expectations, meaning that the ratio between the expected costs of the solution generated by our algorithm and the optimal offline solution is bounded by a constant. Our algorithm is obtained by carefully combining two strategies. In the first one, we plan periodic oblivious visits to the subset of frequent vertices, whereas in the second one, we greedily serve the pending requests in the remaining vertices. This problem is complex enough to demonstrate a very rare phenomenon that ``single-minded" or ``sample-average" strategies are not enough in stochastic optimization.

cs.DS

Accurate estimation of feature importance faithfulness for tree models

In this paper, we consider a perturbation-based metric of predictive faithfulness of feature rankings (or attributions) that we call PGI squared. When applied to decision tree-based regression models, the metric can be computed accurately and efficiently for arbitrary independent feature perturbation distributions. In particular, the computation does not involve Monte Carlo sampling that has been typically used for computing similar metrics and which is inherently prone to inaccuracies. Moreover, we propose a method of ranking features by their importance for the tree model's predictions based on PGI squared. Our experiments indicate that in some respects, the method may identify the globally important features better than the state-of-the-art SHAP explainer

cs.LG

Scaling Laws for Fine-Grained Mixture of Experts

Mixture of Experts (MoE) models have emerged as a primary solution for reducing the computational cost of Large Language Models. In this work, we analyze their scaling properties, incorporating an expanded range of variables. Specifically, we introduce a new hyperparameter, granularity, whose adjustment enables precise control over the size of the experts. Building on this, we establish scaling laws for fine-grained MoE, taking into account the number of training tokens, model size, and granularity. Leveraging these laws, we derive the optimal training configuration for a given computational budget. Our findings not only show that MoE models consistently outperform dense Transformers but also highlight that the efficiency gap between dense and MoE models widens as we scale up the model size and training budget. Furthermore, we demonstrate that the common practice of setting the size of experts in MoE to mirror the feed-forward layer is not optimal at almost any computational budget.

cs.LG

Transfer Learning in Materials Informatics: structure-property relationships through minimal but highly informative multimodal input

In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As materials properties stand from their electronic structure, representations are extracted directly from datasets of electronic charge density profile images using Neural Networks. We demonstrate transferability of the existing pre-trained Convolutional Neural Networks and Large Language Models knowledge to physics domain data, exploring a wide set of compositions for the regression of energetics- or structure- related properties, and the role of semantic crystallographic information in the context of multimodal approaches. We test the applicability of the CLIP multimodal model, and employ as well a training protocol for building a more interpretable and versatile stacked custom solution from different pre-trained modalities. The study offers a promising avenue for enhancing the effectiveness of descriptor identification in physical systems, shedding light on the power of multimodal transfer learning for materials property prediction. Instead of using the well-established GNN-based approaches, we explore the transfer learning of image- and text-based architectures, which can impact decision making for new low-cost AI methods in the field of Materials and Chemoinformatics.

cond-mat.mtrl-sci

Modeling Online Paging in Multi-Core Systems

Web requests are growing exponentially since the 90s due to the rapid development of the Internet. This process was further accelerated by the introduction of cloud services. It has been observed statistically that memory or web requests generally follow power-law distribution, Breslau et al. INFOCOM'99. That is, the $i^{\text{th}}$ most popular web page is requested with a probability proportional to $1 / i^α$ ($α> 0$ is a constant). Furthermore, this study, which was performed more than 20 years ago, indicated Zipf-like behavior, i.e., that $α\le 1$. Surprisingly, the memory access traces coming from petabyte-size modern cloud systems not only show that $α$ can be bigger than one but also illustrate a shifted power-law distribution -- called Pareto type II or Lomax. These previously not reported phenomenon calls for statistical explanation. Our first contribution is a new statistical {\it multi-core power-law} model indicating that double-power law can be attributed to the presence of multiple cores running many virtual machines in parallel on such systems. We verify experimentally the applicability of this model using the Kolmogorov-Smirnov test (K-S test). The second contribution of this paper is a theoretical analysis indicating why LRU and LFU-based algorithms perform well in practice on data satisfying power-law or multi-core assumptions. We provide an explanation by studying the online paging problem in the stochastic input model, i.e., the input is a random sequence with each request independently drawn from a page set according to a distribution $π$. We derive formulas (as a function of the page probabilities in $π$) to upper bound their ratio-of-expectations, which help in establishing O(1) performance ratio given the random sequence following power-law and multi-core power-law distributions.

cs.DS

Compositional Search of Stable Crystalline Structures in Multi-Component Alloys Using Generative Diffusion Models

Exploring the vast composition space of multi-component alloys presents a challenging task for both \textit{ab initio} (first principles) and experimental methods due to the time-consuming procedures involved. This ultimately impedes the discovery of novel, stable materials that may display exceptional properties. Here, the Crystal Diffusion Variational Autoencoder (CDVAE) model is adapted to characterize the stable compositions of a well studied multi-component alloy, NiFeCr, with two distinct crystalline phases known to be stable across its compositional space. To this end, novel extensions to CDVAE were proposed, enhancing the model's ability to reconstruct configurations from their latent space within the test set by approximately 30\% . A fact that increases a model's probability of discovering new materials when dealing with various crystalline structures. Afterwards, the new model is applied for materials generation, demonstrating excellent agreement in identifying stable configurations within the ternary phase space when compared to first principles data. Finally, a computationally efficient framework for inverse design is proposed, employing Molecular Dynamics (MD) simulations of multi-component alloys with reliable interatomic potentials, enabling the optimization of materials property across the phase space.

cond-mat.mtrl-sci

Contrastive News and Social Media Linking using BERT for Articles and Tweets across Dual Platforms

X (formerly Twitter) has evolved into a contemporary agora, offering a platform for individuals to express opinions and viewpoints on current events. The majority of the topics discussed on Twitter are directly related to ongoing events, making it an important source for monitoring public discourse. However, linking tweets to specific news presents a significant challenge due to their concise and informal nature. Previous approaches, including topic models, graph-based models, and supervised classifiers, have fallen short in effectively capturing the unique characteristics of tweets and articles. Inspired by the success of the CLIP model in computer vision, which employs contrastive learning to model similarities between images and captions, this paper introduces a contrastive learning approach for training a representation space where linked articles and tweets exhibit proximity. We present our contrastive learning approach, CATBERT (Contrastive Articles Tweets BERT), leveraging pre-trained BERT models. The model is trained and tested on a dataset containing manually labeled English and Polish tweets and articles related to the Russian-Ukrainian war. We evaluate CATBERT's performance against traditional approaches like LDA, and the novel method based on OpenAI embeddings, which has not been previously applied to this task. Our findings indicate that CATBERT demonstrates superior performance in associating tweets with relevant news articles. Furthermore, we demonstrate the performance of the models when applied to finding the main topic -- represented by an article -- of the whole cascade of tweets. In this new task, we report the performance of the different models in dependence on the cascade size.

cs.CL