VALG: An Agentic System for ML Theory Research

Machine learning theory studies learning procedures through mathematical setups in which the data model, training protocol, oracle access, loss, metric, and randomness define the phenomenon that a theorem is meant to explain. Solving an open problem therefore requires the problem formulation, theorem target, and proof mechanism to be developed in concert. Researchers formulate hypotheses, test them through preliminary theoretical or empirical analysis, and refine both assumptions and proofs. We investigate whether this process can be organized as an autonomous agentic workflow for ML theory research. We develop VALG, an agentic system that combines multi-level Verification, Adaptive formulation of Learning-theory problems, and Graph-structured proof development. Within each source-relative theorem branch, VALG maintains a fixed mathematical specification, checks the theorem-level composition of a typed proof-dependency graph, and constructs and reviews local proofs in dependency order. When a proof attempt fails, VALG identifies whether the obstruction lies in a derivation, the proof structure, or the theorem formulation and routes the next attempt accordingly. Formulation-level obstructions initiate an explicitly related variant or relaxation, preserving the mathematical relation between the resulting theorem and the source problem. We evaluate VALG on nine subproblems from five COLT 2026 open problems. Two runs produce internally finalized theorem candidates that match the scope of their source briefs; the remaining seven yield restricted-method results, special cases, or conditional theorems. These case studies show how VALG keeps source-scope matches, relaxations, conditional results, and blocked attempts mathematically distinct. VALG is open source at https://github.com/DechenZhang/VALG-ML-Theory-Agent.

All Explanations are Wrong, But Many Are Useful: Exploring the Rashomon Explanation Set with Large Language Models

Explaining machine-learning models is increasingly important for decision-making and consumer trust, yet it is widely believed to come at a cost: existing Explainable AI (XAI) methods suffer from a persistent accuracy-explainability trade-off. We argue that this trade-off is not fundamental, but an artifact of treating explanation and prediction as separate objectives; when properly coupled, they become complementary, so that equipping a model to explain itself improves, rather than degrades, its accuracy. We introduce the Rashomon Explanation paradigm, which builds a set of faithful, prediction-guiding explanations rather than a single one, and prove that this set is generally non-empty and that explanation fidelity bounds the performance of the models it guides. To explore this set, we propose RashomonLLM, an Explanation-Prediction-Reflection agentic workflow that generates explanations in natural language by iteratively aligning them with predictions, and we prove it converges and recovers the full set. Across customer-churn classification, clinical survival regression, and industrial click-through prediction on large-scale live-streaming logs, RashomonLLM significantly outperforms state-of-the-art prediction and XAI baselines on both accuracy and explanation quality, with gains driven by explanation fidelity and robust to distribution shifts, temporal splits, and seeds. Our framework thus advances business performance while laying the groundwork for consumer trust.

Auto-FL-Research: Agentic Search for Federated Learning Algorithms

Federated learning (FL) research often depends on many small but consequential algorithmic choices: optimizer variants, server aggregation rules, local training schedules, normalization, regularization, and model architecture. These choices are expensive to explore manually and difficult to compare fairly when candidate changes can also alter the FL training or evaluation path. In this work, we present Auto-FL-Research (AFR), a constrained coding-agent workflow for FL algorithmic recipe search. Agents may propose and implement candidate training algorithms, including server aggregation rules, client update schedules, local objectives, and registered model variants, while task profiles fix the mutation surface, compute budget, communication contract, and final model evaluation. Each campaign records candidate scores, runtime, edited files, artifacts, and failure status. We evaluate AFR on five healthcare cross-silo FLamby tasks and on grouped-client profiles for the five fixed LEAF datasets plus the LEAF synthetic task. Five-seed repeat evaluations support gains on four FLamby tasks and five of six LEAF profiles, while also exposing seed-sensitive and search-selected failure cases. Same-budget controls show that several gains correspond to FL-recipe changes, whereas other improvements are recovered by fixed-surface scalar controls or fail under repeat or held-out evaluation. These mixed outcomes are part of the contribution: they show how agent-generated candidates can be separated into repeated FL mechanisms, fixed-surface tuning effects, and selected single-run artifacts.

CastFlow: Learning Role-Specialized Agentic Workflows for Time Series Forecasting

Recently, large language models (LLMs) have shown great promise in time series forecasting. However, most existing LLM-based forecasting methods still follow a static generative paradigm that directly maps historical observations to future values in a single pass. Under this paradigm, forecasting is constrained by limited temporal pattern extraction, single-round acquisition of contextual features, one-shot forecast generation, and lack of support from ensemble forecasts. To address these limitations, in this work, we propose CastFlow, a dynamic agentic forecasting framework that enables multi-view temporal pattern extraction, multi-round contextual features acquisition, iterative forecast refinement, and forecasting with ensemble forecasts. First, CastFlow organizes the forecasting process into planning, action, forecasting, and reflection, establishing an agentic workflow. Second, this workflow is supported by a memory module that retrieves prior experience and a multi-view toolkit that constructs diagnostic evidence and provides a reliable ensemble forecast baseline. Third, CastFlow adopts a role-specialized design that combines general-purpose reasoning with specialized numerical forecasting. Under this design, a frozen LLM preserves general-purpose reasoning, while a fine-tuned domain-specific LLM performs evidence-guided numerical forecasting based on the ensemble forecast baseline, rather than from scratch. To optimize a fine-tuned domain-specific LLM, we further develop a two-stage workflow-oriented training that combines supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR). To evaluate the effectiveness of CastFlow, we conduct extensive experiments on diverse datasets and show that it achieves superior overall results against strong baselines. We hope that this work can serve as a step toward more adaptive and accurate time series forecasting.